Unnamed: 0,structure_name,structure_path,site Number,site AtomicWeight,site Row,site Column,site Electronegativity,site CovalentRadius,AGNI eta=8.00e-01,AGNI eta=1.23e+00,AGNI eta=1.88e+00,AGNI eta=2.89e+00,AGNI eta=4.43e+00,AGNI eta=6.80e+00,AGNI eta=1.04e+01,AGNI eta=1.60e+01,G2_0.05,G2_4.0,G2_20.0,G2_80.0,G4_0.005_1.0_1.0,G4_0.005_1.0_-1.0,G4_0.005_4.0_1.0,G4_0.005_4.0_-1.0,local difference in Number,local difference in AtomicWeight,local difference in Row,local difference in Column,local difference in Electronegativity,local difference in CovalentRadius,local signed difference in Number,local signed difference in AtomicWeight,local signed difference in Row,local signed difference in Column,local signed difference in Electronegativity,local signed difference in CovalentRadius,maximum local difference in Number,maximum local difference in AtomicWeight,maximum local difference in Row,maximum local difference in Column,maximum local difference in Electronegativity,maximum local difference in CovalentRadius,minimum local difference in Number,minimum local difference in AtomicWeight,minimum local difference in Row,minimum local difference in Column,minimum local difference in Electronegativity,minimum local difference in CovalentRadius,name,pCv_250.00,pCv_275.00,pCv_300.00,pCv_325.00,pCv_350.00,pCv_375.00,pCv_400.00,mofid,grouped_mof
RSM1213_0,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,19.0,39.0983,4.0,1.0,0.82,203.0,2.900740103853852e-05,0.0241167007127545,0.488864976809938,1.9660678883565683,3.721676020066006,4.943274027784765,5.592248962358218,5.896319904429249,6.010442360140692,1.3767749993568192,0.0085629970879705,1.7650320762019046e-10,5.110256478519863,1.0267955639973845,3.405972985078292,0.045785954863182,13.695433761150053,28.871585690802814,2.3850679387032288,9.223353772863412,2.1424279554856542,150.47721061552284,-13.695433761150053,-28.871585690802814,-2.3850679387032288,9.223353772863412,2.1424279554856542,-150.47721061552284,-3.0,-7.033300000000004,-1.0,15.0,2.62,-98.0,-18.0,-38.09036,-3.0,0.0,1.3800000000000003,-172.0,RSM1213,22.41778292255526,22.59587833541072,22.73372186913798,22.84252960887936,22.92988435988013,23.001055214805533,23.059792675019697,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_1,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,19.0,39.0983,4.0,1.0,0.82,203.0,1.452220492644066e-05,0.0156094803267047,0.3818446748586904,1.7135125999500165,3.416755608851311,4.641725162341593,5.301542053988901,5.612474034334812,5.729440353023961,1.1656431280146125,0.0052718378551636,6.373016971279453e-11,4.0682411021004725,0.7564465431887314,2.778780346218373,0.0310406764952952,12.974696157394984,27.32284247868379,2.2763206802901124,10.800518818281052,2.257099683240831,146.46096831845628,-12.974696157394984,-27.32284247868379,-2.2763206802901124,10.800518818281052,2.257099683240831,-146.46096831845628,-3.0,-7.033300000000004,-1.0,15.0,2.62,-98.0,-18.0,-38.09036,-3.0,0.0,1.3800000000000003,-172.0,RSM1213,22.94001945432976,23.07542438849304,23.179682997629943,23.26162208734938,23.327162293973007,23.38039057379878,23.424199497923325,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_2,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,19.0,39.0983,4.0,1.0,0.82,203.0,2.8821695763306216e-05,0.0240713886820654,0.4885979627094155,1.9658824166167992,3.721688002795308,4.943370724276274,5.592371204541932,5.896449780956003,6.01057442090123,1.376521865964084,0.0085424772421076,1.7343379953483735e-10,5.111652446794245,1.0262113981024932,3.4066522517474875,0.0454674406074004,13.676563085880623,28.83115389336645,2.382369764830236,9.26407450858114,2.1458084289553625,150.38284069733416,-13.676563085880623,-28.83115389336645,-2.382369764830236,9.26407450858114,2.1458084289553625,-150.38284069733416,-3.0,-7.033300000000004,-1.0,15.0,2.62,-98.0,-18.0,-38.09036,-3.0,0.0,1.3800000000000003,-172.0,RSM1213,22.3708547368292,22.54875225153008,22.686452079989945,22.795152809371583,22.88242577293823,22.95353253525136,23.012218608187084,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_3,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,19.0,39.0983,4.0,1.0,0.82,203.0,1.4280097043350268e-05,0.0155288497568011,0.3808564836160663,1.7102399454334258,3.4109424662111723,4.634116152742914,5.292955720297703,5.603423168110538,5.720213989687318,1.163244239238377,0.0052377004118763,6.06252398550972e-11,4.051620508719276,0.7531547557962934,2.7678127950208395,0.0309247766014075,12.956027726256847,27.28314203321128,2.273783077046572,10.836928059928402,2.260241926559878,146.37523823841457,-12.956027726256847,-27.28314203321128,-2.273783077046572,10.836928059928402,2.260241926559878,-146.37523823841457,-3.0,-7.033300000000004,-1.0,15.0,2.62,-98.0,-18.0,-38.09036,-3.0,0.0,1.3800000000000003,-172.0,RSM1213,23.212554882754088,23.347558803929243,23.4514901070134,23.53316104411169,23.59848007145616,23.651524470449065,23.69517927021852,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_4,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400967221014973,0.4877765019281153,1.3680225840209788,2.975319337791328,4.668547315901394,5.826583320092474,6.441555209954591,6.730006922579142,6.838337271008244,2.378284744723589,0.384640080468665,0.0199693415049007,8.928697671182004,2.263978976308816,5.882251319046986,0.3406291952475416,2.975199420575557,6.431737466058559,0.4831655382912834,6.8405237269058246,0.4180283578599665,18.94559057751205,2.975199420575557,6.431737466058559,0.4831655382912834,6.8405237269058246,0.4180283578599665,18.94559057751205,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,3.358631929495773,4.041630583896484,4.743833747884477,5.447608007704074,6.1394971809353285,6.810058140460706,7.453293232149523,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_5,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1389906297519248,0.4827542541573029,1.452090801643793,3.493477922123862,5.756925031261697,7.323497554864227,8.157697233736021,8.549262589575854,8.696350873933074,2.7140906635276143,0.3805444380213104,0.0196803265029564,11.55469153558949,3.3431619174796685,7.217925701816945,0.4941057846129129,2.532444200381464,5.485933459983675,0.429622543163734,5.837423906283593,0.3003990490319558,17.485607379220916,2.532444200381464,5.485933459983675,0.429622543163734,5.837423906283593,0.3003990490319558,17.485607379220916,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,3.2582665910107687,3.9123620194289375,4.5914613337202,5.277883907131548,5.9576770698855706,6.6207053007005054,7.260235299454637,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_6,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1386240184619523,0.4948426233205091,1.4600148918446594,3.4205030111950725,5.648804267911556,7.223194550147537,8.069897311801897,8.469044989309102,8.61924431509373,2.6682779782474744,0.3872725785380751,0.019519475823966,12.700630714117082,3.233676299065651,8.18001162776977,0.3359623736121266,4.0342146059200985,8.760581687341032,0.7005155586141064,9.508830813666588,0.4654043762742773,28.93786447029304,4.0342146059200985,8.760581687341032,0.7005155586141064,9.508830813666588,0.4654043762742773,28.93786447029304,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,3.057125903663324,3.708413927983373,4.389588085950984,5.081767038741502,5.769840569756714,6.442708150345406,7.092900635315426,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_7,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1349778773446813,0.6201759406242986,2.040760880294597,4.523404105957422,6.947170244299704,8.51968920762568,9.332882905996843,9.709760173175926,9.850596106480848,3.623981152854674,0.4603504988114402,0.0166448858387433,18.338862997188148,6.081841753317928,10.597126668828643,0.8776616431176809,2.367897581291598,5.176130516491424,0.4400482740499384,5.888283773691105,0.2291640247665305,18.963891277037693,2.367897581291598,5.176130516491424,0.4400482740499384,5.888283773691105,0.2291640247665305,18.963891277037693,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,3.068916027113149,3.5221087467487973,4.014235682616856,4.536515272804473,5.079373932765607,5.633800106330169,6.192072281313119,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_8,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1393879019600369,0.591642566568475,1.8594629437169872,4.072566693296875,6.226842902192353,7.622931700007449,8.34492951418634,8.679606947561489,8.804687428202236,3.27152355843962,0.4467857604534364,0.0181434697846032,15.869824045186114,4.668707287077729,9.409152905053617,0.6238670720593805,3.7252517673373537,8.045071217632778,0.6099202935210369,8.364509441899518,0.4796203032678192,24.2131207887126,3.7252517673373537,8.045071217632778,0.6099202935210369,8.364509441899518,0.4786573234593817,24.2131207887126,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.047190620203106,3.5038993995662944,3.999058512343976,4.5237682801370696,5.068222662147719,5.623155869319639,6.180628710016478,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_9,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417416087352428,0.607815829390847,1.9974734052290408,4.420337137650417,6.722431812132135,8.186874620448645,8.936742385471005,9.282734252356638,9.41179168875207,3.549897502839884,0.4553168619103546,0.0188319098828412,18.087795997362942,5.632541431855326,10.57029556204599,0.7973465678047383,4.411461940735609,9.4680109348348,0.7405211568007187,6.009388117356192,0.4708253058013309,35.12118968525701,4.411461940735609,9.4680109348348,0.7405211568007187,6.009388117356192,0.1879185765925054,35.12118968525701,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.02615813513285,3.43069181267307,3.88084112413522,4.367218082549888,4.879616697560838,5.4083133767601606,5.944821336439608,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_10,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1361108707532888,0.5698629845032773,1.8009953496813402,4.01986943841248,6.232777507299195,7.68744091615906,8.444995698662733,8.797259934252223,8.929085012569164,3.2091606414628133,0.4318107323506605,0.0174613151316596,17.234705484113128,4.65138038721059,10.137174079574525,0.3219718378800395,2.795495837748205,6.0243849379151735,0.4675161059541086,5.004442130869792,0.3313216998487287,20.644398057441496,2.795495837748205,6.0243849379151735,0.4675161059541086,5.004442130869792,0.2307011319808445,20.644398057441496,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.203556357293301,3.6272187250254895,4.095710157060832,4.598760126799297,5.125686012698652,5.666646158678077,6.213293683092983,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_11,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417722291916104,0.5885337717406326,1.949404161842656,4.454631487884245,6.875391013554582,8.417684435325471,9.20678440445668,9.570651342568343,9.70633542553707,3.5454227498968987,0.4444278245211713,0.0189157858185277,18.933697497795123,5.662607325290281,10.967057749831032,0.624572994843305,3.538157941581946,7.592259605895051,0.5835206231084054,5.387251784615691,0.3934085562017542,26.548372139291985,3.538157941581946,7.592259605895051,0.5835206231084054,5.387251784615691,0.2176448781035583,26.548372139291985,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.345682991420651,3.807845084586536,4.309674698892259,4.8397817275429205,5.3871879703272425,5.94223965282741,6.497042678369618,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_12,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1389592317536235,0.5710297616351113,1.7595874278333443,3.865015537145543,5.942636922428632,7.299914710361661,8.004574350662976,8.331782805985444,8.454159839123893,3.0989602837076395,0.4349440512173135,0.0181618838940628,16.966315522619453,4.408400944354602,10.071015480363377,0.2546786726455807,3.941451914421492,8.462961582663175,0.6714264713973208,5.1170071114926,0.3970115453158687,32.48746346983804,3.941451914421492,8.462961582663175,0.6714264713973208,5.1170071114926,0.1212838275888071,32.48746346983804,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.4218008451689705,3.893509580091612,4.403633060687205,4.940663616350804,5.493635395142385,6.053014426366427,6.611094671922035,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_13,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1754939071650655,0.5877228120822711,1.97300736646424,4.743051251278005,7.505616792096034,9.291788308415276,10.211806706997113,10.637283055220134,10.79613072120932,3.723205772900056,0.4565170686104566,0.030937549373214,21.15796744783021,6.37614234778758,12.691706639924242,0.9561015108958582,3.4671122625489423,7.547816775325865,0.613868062127865,8.378056759571862,0.3994257160790346,25.63520303620584,3.4671122625489423,7.547816775325865,0.613868062127865,8.378056759571862,0.3994257160790346,25.63520303620584,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,3.546931761683257,4.114046212022514,4.699494353670553,5.291514357817656,5.880500107534782,6.458874282044338,7.020883815223318,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_14,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2148894366545632,0.7265986042442647,1.7249753111582968,3.3432421369608165,5.03295336936648,6.188894342820546,6.802852977800798,7.090839338513458,7.19899555904505,2.746608136729208,0.5812371594071524,0.0393416973541875,8.144542856938365,3.5934885801270497,4.793014681680594,1.2422157833386482,5.441789528005591,11.625397000257838,0.8131536031543835,8.967777723508615,0.8185403204918327,33.36487192235254,5.441789528005591,11.625397000257838,0.8131536031543835,8.967777723508615,0.6262162752025182,33.36487192235254,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.9025371721167295,4.653678606496767,5.389161937963514,6.096820529121198,6.769885421781337,7.4052443042877405,8.002162403597183,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_15,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1391603991460565,0.4726951770113238,1.23124049671363,2.6497191152920365,4.215906664311758,5.314772641639229,5.905291508765594,6.183733957007087,6.288532636250389,2.1132887280186976,0.3774919477250273,0.0197193359811228,7.504983450443771,1.5411238803304947,5.07698615993171,0.1833922675193653,2.659053524468926,5.748947077784312,0.4442950675239871,5.6442752421202975,0.3366068878132623,18.510035170337023,2.659053524468926,5.748947077784312,0.4442950675239871,5.6442752421202975,0.299206336617742,18.510035170337023,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.740008484639689,4.431783959983834,5.135049092310372,5.833888343024853,6.516524883389002,7.174957241441698,7.804338006756614,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_16,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403452021959785,0.4949423517908011,1.4831144240561975,3.5221702380243185,5.78993681139353,7.3615820792282465,8.198331966667894,8.590980919608244,8.738452822376846,2.74338873402957,0.3880540913975217,0.0200225114723307,12.039811045807696,3.4364428723482687,7.53862603390472,0.4871424525827876,1.8367256957079403,3.999371992362943,0.3261831612960214,4.446190986076112,0.2057495071599934,13.649192812181791,1.8367256957079403,3.999371992362943,0.3261831612960214,4.446190986076112,0.2057495071599934,13.649192812181791,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,3.493233588497778,4.147752446377203,4.823818307511284,5.504861130514538,6.177693439781328,6.832709294313699,7.4635482025942865,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_17,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400685426077748,0.5256285241107901,1.6932288103098714,3.961230360485642,6.38111072876683,8.037848888289806,8.917240880054399,9.329566774706231,9.484391583032458,3.1120577495769326,0.4030838786590234,0.0198489912473218,14.181338281454767,4.546018020112036,8.793966640657224,0.85401347035375,3.533709041985405,7.690380546572773,0.6344135621167238,8.376400801637644,0.3543265437312102,26.91280913064552,3.533709041985405,7.690380546572773,0.6344135621167238,8.376400801637644,0.3502842426069957,26.91280913064552,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.5118486678197773,4.162425823192488,4.829019169756113,5.497266822115323,6.155922315200948,6.796855958558603,7.414706712135184,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_18,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2067012252244062,0.6192623592093434,1.6111145859457985,3.375741302970025,5.186230713965731,6.40426109925412,7.0463340092153866,7.346564198894248,7.459177978129993,2.726077374416528,0.498878001084209,0.042189199926517,10.474158258536583,3.643235196096915,6.390517216739256,0.7100004604166354,3.0280948192602457,6.501055563525552,0.4480797089590605,6.61273249093273,0.5073527402725706,16.22510553083301,3.0280948192602457,6.501055563525552,0.4480797089590605,6.61273249093273,0.5073527402725706,16.22510553083301,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,6.869357039630763,7.459811449755052,8.011779610789642,8.532282572782165,9.02502230103051,9.491742910517216,9.933214098573064,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_19,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408880648421087,0.5296570895688707,1.6709703851084998,3.7612254330787858,5.868280542363307,7.265344049076851,7.996107668989753,8.336580184741054,8.464095106924004,2.995184420263476,0.4067486592808754,0.0199616227581697,13.857607675875972,4.20224057975937,8.370245443455001,0.452415340840145,5.406102241795824,11.602842215335578,0.87085002318529,8.79788867540615,0.6877939232901329,38.35519791630891,5.406102241795824,11.602842215335578,0.87085002318529,8.79788867540615,0.4528644481671159,38.35519791630891,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.446404994823125,3.995357738042428,4.577155461152588,5.177915716346136,5.78512135581026,6.3885631991320775,6.980566974698626,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_20,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421428973574905,0.6115828745241148,2.0705246507816577,4.555282803905791,6.829567924988562,8.24832736169676,8.969072731055652,9.300585799403816,9.424091881388922,3.6754083040413312,0.4559025972090518,0.0190391712214513,18.55024313555041,6.29760284649564,10.55868529949489,1.0154566857360092,5.896241984032532,12.60363754079786,0.9655822207876974,7.110287615445413,0.6169950004470214,45.95515090741206,5.896241984032532,12.60363754079786,0.9655822207876974,7.110287615445413,0.2100823841119231,45.95515090741206,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.0119435956943144,3.424313710850354,3.8794350561982456,4.369042005724504,4.88360161541073,5.413764347039603,5.951235528385289,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_21,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404935419041857,0.5846133478124872,1.890213005816531,4.232488163037775,6.523998336279279,8.010556533098267,8.77954465702007,9.136032020597913,9.269267018456787,3.382130134780827,0.4417236019708667,0.0186671472811728,18.20072624601732,5.2623428839993895,10.845256029075957,0.6692948240185812,2.9642987104690453,6.391545032087536,0.5118506281830367,4.816804300054363,0.3077518697162176,23.784230674412743,2.9642987104690453,6.391545032087536,0.5118506281830367,4.816804300054363,0.1604007639298849,23.784230674412743,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.195675695385676,3.634769487379929,4.1154069089562375,4.628041095124516,5.162327295690489,5.708554594430067,6.258420785332719,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_22,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1388340358401112,0.584091972207645,1.9734746520415665,4.560497522971375,7.091939179965536,8.719898258322765,9.55680170721187,9.94353585475716,10.087873934761364,3.6178674975921306,0.4393262848921476,0.0182118874640721,19.83266898591233,6.085926837456226,11.418099821875735,0.6998863047994945,4.220442734450454,9.0527453776584,0.7070228483642023,5.532404572834432,0.448308857729255,33.7669626726972,4.220442734450454,9.0527453776584,0.7070228483642023,5.532404572834432,0.1629270291652242,33.7669626726972,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.133602949388936,3.5903447129665533,4.086957913718754,4.612927803383174,5.157783891501567,5.712105140245772,6.268038042797942,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_23,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400831361488477,0.5857425141763094,1.9181017915984275,4.305866690327852,6.6394810023999895,8.15529888404792,8.940377481083845,9.304570751331486,9.440727322981402,3.439822521622676,0.4414820899147809,0.0185453184933085,18.95493397334019,5.480940461684766,11.158590647576514,0.560272807567111,3.1375359206756843,6.749899259774181,0.5510935593726736,4.019754175511182,0.2791039532902095,27.25504982527031,3.1375359206756843,6.749899259774181,0.5510935593726736,4.019754175511182,0.0473605388234794,27.25504982527031,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.26489220623632,3.732400070530253,4.238076424957376,4.771122075190709,5.320982107628172,5.878293483520603,6.43535224621638,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_24,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1781228086049408,0.574556016835318,1.7793841521998668,4.206020178988481,6.7819692368207445,8.527972016690269,9.449478550753582,9.880406940002022,10.042037245401186,3.2959094286819743,0.4523380920409787,0.0319770535266884,17.348077287110993,4.868515846039387,10.843254441540058,0.6858127185293368,3.1821307240827448,6.914239912476418,0.5505237568536121,7.586320778911642,0.3936889739804575,22.62600935933913,3.1821307240827448,6.914239912476418,0.5505237568536121,7.586320778911642,0.3936889739804575,22.62600935933913,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,5.656405860277547,6.208616340730935,6.745185445577759,7.26641590725266,7.771636199990851,8.259606424774532,8.728925314552995,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_25,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.21444457820087,0.7314425337256226,1.747428868593137,3.3721460392845093,5.05461123179558,6.200490568181015,6.807754462352509,7.092310134552148,7.199132234423164,2.775217219948041,0.583374524034663,0.039242225856604,8.519575951010196,3.743065181371175,4.902728163602611,1.2074829719104494,6.204891765274384,13.234690621090516,0.9242564198277496,9.56102595925403,0.9078433026459456,38.55417385917901,6.204891765274384,13.234690621090516,0.9242564198277496,9.56102595925403,0.6540346857898347,38.55417385917901,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,4.001149774951353,4.753228501251809,5.487048137862153,6.191121624224585,6.859296627059839,7.4889385845351155,8.079638942719916,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_26,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398776863400454,0.4874675125845418,1.3675655528213508,2.9750345343069764,4.668885079207321,5.8274804129015125,6.4427767573436405,6.731385746957307,6.839775909920148,2.3778710048213485,0.3843454280581973,0.0199067193320771,8.935370472041768,2.265647532041125,5.8859982092640655,0.3400964077229213,2.9708180365589785,6.422516318412532,0.4826969352393589,6.832393518473851,0.4169572726949472,18.934695283960234,2.9708180365589785,6.422516318412532,0.4826969352393589,6.832393518473851,0.4169572726949472,18.934695283960234,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,3.3262939244114675,4.007973632736931,4.709158033209974,5.412214807836791,6.103678825926906,6.774093810983505,7.4174473863931025,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_27,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1388861589743049,0.4822972346916052,1.4504931090179822,3.4904197794472163,5.752529578775684,7.318219041176737,8.151953548248876,8.543301124758736,8.690307658641123,2.7115356706202465,0.3802312949341564,0.0196524507660503,11.545883166989828,3.3365750471912805,7.212886800268385,0.4912022826703353,2.5387991432306043,5.499331302685437,0.4303948677368553,5.848698395239103,0.3015786223084682,17.50860360098793,2.5387991432306043,5.499331302685437,0.4303948677368553,5.848698395239103,0.3015786223084682,17.50860360098793,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,3.24814583500033,3.902618559952328,4.58207968584004,5.268827833360411,5.948906825030733,6.612185605373388,7.25193796615139,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_28,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1385640363633908,0.4949928832785053,1.4617531399070922,3.4254205196690206,5.65615664582862,7.231579959750394,8.07864394398053,8.47791992919037,8.62816094612256,2.672077594161419,0.3873022260360758,0.0195027608683612,12.732881543668228,3.2469221600694227,8.19772724469522,0.3380490346346619,4.037931216734624,8.768258753295882,0.7007870508539004,9.51446153041146,0.4665016819940442,28.938430903499235,4.037931216734624,8.768258753295882,0.7007870508539004,9.51446153041146,0.4665016819940442,28.938430903499235,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,3.053684263051009,3.704923186707364,4.386001754193813,5.078057626522591,5.766001919774942,6.438751482916879,7.088848752206907,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_29,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1349034724228932,0.6188837479323179,2.038912818929644,4.52367044613733,6.95006645402659,8.524308359033371,9.338380829362215,9.7156614996971,9.856647498847463,3.623344929630617,0.4594233460205674,0.0166509191491149,18.358328784191336,6.0795241563757,10.611281405519032,0.8774621674267016,2.365752093299537,5.171889798118035,0.4400852194333035,5.886433848765965,0.2281412248491721,18.97720489383356,2.365752093299537,5.171889798118035,0.4400852194333035,5.886433848765965,0.2281412248491721,18.97720489383356,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,3.0620718187602733,3.514591442981268,4.006113588565147,4.527866181527519,5.070279474637712,5.624340661067348,6.182323260858676,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_30,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.139485031072392,0.5910046659069191,1.8546850192686648,4.063134369897941,6.214683102279902,7.609463136394431,8.330874402769329,8.665296688698168,8.790284282070367,3.263467396454089,0.4465439421659473,0.0181698588719705,15.831279033732333,4.643544159611542,9.390696047493234,0.6160941161830077,3.743248061283013,8.083631728126432,0.61247929382152,8.402880704372711,0.4829543285090186,24.303012888479824,3.743248061283013,8.083631728126432,0.61247929382152,8.402880704372711,0.4819243337697882,24.303012888479824,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.0522184409145816,3.509109491883716,4.004459432017635,4.529333392567178,5.07390526114592,5.628900788589309,6.186380211557469,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_31,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410313747080833,0.6058424607257639,1.9930368819570297,4.413932324054955,6.714998904323549,8.178950186897119,8.928592548943207,9.27448465652374,9.4035054608629,3.544035427371646,0.4537398618531555,0.0186531150775273,18.059411632390766,5.61382686727001,10.558812069141672,0.7927219693065455,4.411828020758927,9.468888473904068,0.7405182383709288,6.016328294675471,0.4711888979848954,35.11115093965158,4.411828020758927,9.468888473904068,0.7405182383709288,6.016328294675471,0.1886997426954984,35.11115093965158,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,2.994201900342191,3.3984057231570493,3.848265149582817,4.334473838056418,4.846868110211295,5.375739351271373,5.912597887101212,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_32,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1357453437339242,0.5687682990160361,1.797347139569536,4.009705722412996,6.215995400863675,7.666594570415842,8.422138114241319,8.773491694390039,8.904979954637266,3.2014730740007566,0.430933116798867,0.0173782539434326,17.184059988579854,4.629085539474144,10.111574888466173,0.3182736654518769,2.792975920934915,6.019077458139601,0.4670580227284427,5.007151749689756,0.331261411985159,20.61391994726357,2.792975920934915,6.019077458139601,0.4670580227284427,5.007151749689756,0.23122532021181,20.61391994726357,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.181306176249476,3.606344618429203,4.076177587703231,4.58052267187708,5.108680992797809,5.6507978476573815,6.198518629510658,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_33,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417275667403783,0.5881699792605155,1.9483539770399705,4.451496256853743,6.870329707788696,8.411511137956731,9.200072206780048,9.56369664540775,9.699291204682773,3.543060397299689,0.4441224710355637,0.0189256910110818,18.91494818486558,5.653669540512724,10.95505195366912,0.6209881182005437,3.5418697323827675,7.600552763568994,0.5842817730207215,5.392486574831306,0.3942873906197737,26.592564180282203,3.5418697323827675,7.600552763568994,0.5842817730207215,5.392486574831306,0.217852362466763,26.592564180282203,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.3433462928023845,3.8049643718233854,4.306458139455592,4.8364201902055495,5.383834714710305,5.939005013883753,6.493997041813761,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_34,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1393584066946759,0.5710965681467121,1.7599055581721963,3.867012931303623,5.945995037481199,7.303872008049166,8.008753921466765,8.336045880552906,8.458451016820808,3.100343134516616,0.4351235069518283,0.0182939649541881,16.975225639442986,4.411826852490302,10.07604280076886,0.2552094030151863,3.9617137113521865,8.506118121329083,0.6750207901651166,5.12135082247123,0.3982183229788611,32.693065776951954,3.9617137113521865,8.506118121329083,0.6750207901651166,5.12135082247123,0.1195549748798797,32.693065776951954,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.435556878184436,3.9093110262893394,4.421354225889617,4.960067568739497,5.514407399614025,6.074795663954021,6.633510769323305,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_35,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1759335196926037,0.5888934539416947,1.9748055138859733,4.74085137986893,7.497710456580901,9.280042482562951,10.198101763726472,10.622681026266491,10.781195491472037,3.72283975819856,0.4574255517442653,0.0310866374745216,21.11671717449144,6.371395236443353,12.659840684917894,0.9532337338171072,3.459492203690879,7.530815693260082,0.6121187642844232,8.356442317966263,0.3993017929990168,25.55085248145524,3.459492203690879,7.530815693260082,0.6121187642844232,8.356442317966263,0.3993017929990168,25.55085248145524,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,3.55745988965532,4.124497646740447,4.709675805182207,5.301295915311636,5.889796608126215,6.467632207217851,7.029072203764502,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_36,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2162595806474413,0.7271820837588382,1.7239739378653418,3.3415075831375605,5.032416993239024,6.189922242986178,6.8048938348039725,7.093392630677782,7.201747037337016,2.74487959668938,0.5820923003745444,0.0400066971904551,8.156711352628037,3.591975120767055,4.811421033497082,1.244220654233071,5.434769730177154,11.611836102467326,0.8121024665903325,9.02328274612667,0.8190889269567855,33.238589351041576,5.434769730177154,11.611836102467326,0.8121024665903325,9.02328274612667,0.6314242163919598,33.238589351041576,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,4.115896643516604,4.879268534023157,5.620143019464167,6.3281810173891495,6.998157061944881,7.628175228205031,8.218429095499214,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_37,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1387777374333725,0.4722074986723097,1.2318269333528085,2.651546611538974,4.21803412847692,5.316926492147105,5.907448793105342,6.185893931984396,6.290694003725842,2.114821007503408,0.3769706665364205,0.0196119130327209,7.505990774143235,1.5414492933030317,5.081946454680943,0.1860422275920198,2.6677502095536147,5.767414297948569,0.4459058301697907,5.640791158827196,0.3368569183366873,18.61034030193648,2.6677502095536147,5.767414297948569,0.4459058301697907,5.640791158827196,0.2978091157139756,18.61034030193648,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.63397458622354,4.32369262270463,5.025799249218973,5.724204561613213,6.406966581172504,7.06594144471845,7.696165286201014,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_38,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403241434392153,0.4949468795172917,1.4825154604662514,3.520327824589092,5.787090207653731,7.358122198684492,8.194552743098182,8.587051862392043,8.734467390978969,2.7419658558736737,0.3880639983553266,0.0200153855706857,12.039057242631388,3.4322123395223394,7.541745492487865,0.4848942155811965,1.8374310109490395,4.0009792435572,0.326377733359506,4.448452877825087,0.2056985498232484,13.659286280420227,1.8374310109490395,4.0009792435572,0.326377733359506,4.448452877825087,0.2056985498232484,13.659286280420227,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,3.4734453024762018,4.128256726919148,4.804559774248951,5.485770721324337,6.158702478534537,6.813756407233222,7.444581903331375,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_39,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406594355872518,0.5273537483649547,1.6975207375289816,3.967592089002853,6.38893632521493,8.04659607867047,8.926467000179928,9.339015617414708,9.493923773244514,3.1178044146404416,0.4044052541008475,0.0200115124406663,14.212609085829293,4.565909891731778,8.808050943528235,0.859233037465158,3.517599435175596,7.6563479440669555,0.6324900452540655,8.344493426756637,0.3510972132946575,26.86084662840118,3.517599435175596,7.6563479440669555,0.6324900452540655,8.344493426756637,0.3468695933264089,26.86084662840118,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.530435623973493,4.181139914531328,4.847510341814062,5.515264690672507,6.173204615131651,6.81322827399008,7.429990922497594,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_40,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2077657448300461,0.6180657731020172,1.6083368356557006,3.378579289643068,5.19513068606738,6.41658949742844,7.060268472834391,7.361206658069266,7.474079331327648,2.7265808180237405,0.4985056876311595,0.0426967641979016,10.495022536908026,3.653141901368664,6.397884465072545,0.7096219992892783,3.0368006234348544,6.519939011266593,0.4495549877491885,6.633240525428364,0.5084606753987815,16.28484602526893,3.0368006234348544,6.519939011266593,0.4495549877491885,6.633240525428364,0.5084606753987815,16.28484602526893,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,7.052580029310126,7.598431298322911,8.11073958508546,8.596459920353217,9.058806150945514,9.49892513166954,9.91701399035402,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_41,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432345260842094,0.5334526265822318,1.6766709904845412,3.7691864491336418,5.877581726625968,7.275250346293911,8.006270601597931,8.346851305253699,8.47440505301648,3.0024609017796595,0.41026704906626,0.0206280269488641,13.895894360360463,4.220941492972906,8.388978469883089,0.4561446727004398,5.402615184799239,11.594705843495682,0.8708245152615052,8.740347738497393,0.6849880298253556,38.43751884803493,5.402615184799239,11.594705843495682,0.8708245152615052,8.740347738497393,0.4465198524737572,38.43751884803493,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.5885991608391854,4.146286347037243,4.734137434465066,5.338349830295904,5.946660583683435,6.549186994748886,7.138590612189176,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_42,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412444093040828,0.6097247642317528,2.066795362290466,4.548681274806204,6.820688604242155,8.238223610372335,8.95840292894341,9.289667799289465,9.413083330487606,3.669786681352589,0.4542959914468748,0.0187997271173299,18.520123315829863,6.275707154384996,10.550483372918338,1.0100866205901728,5.9082551616310335,12.628776478993691,0.9676441230208552,7.088604557975835,0.6177467355798321,46.10403514158667,5.9082551616310335,12.628776478993691,0.9676441230208552,7.088604557975835,0.2072950674365893,46.10403514158667,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,2.983114897953558,3.3947485603063923,3.8492158801157776,4.338332485611505,4.852621162715688,5.38276353009375,5.92047567898091,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_43,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140637696898468,0.5853104463171535,1.8932706490004887,4.238130147545484,6.531604173121028,8.019391197058923,8.789013155702177,9.145794196158006,9.279138923507222,3.386961937088019,0.4421666962738954,0.0187076605241965,18.23184913082253,5.279893338677272,10.857726715093362,0.6732200886512267,2.954859921909148,6.371774586467277,0.5101084416396494,4.833044852707808,0.3077707369259896,23.66042214619552,2.954859921909148,6.371774586467277,0.5101084416396494,4.833044852707808,0.163023023059343,23.66042214619552,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.184524766212928,3.6248397003384807,4.1066646678686896,4.6204095974838895,5.155701789970589,5.702814971072888,6.253441101743964,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_44,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402107726611567,0.5866950054082123,1.977608013555045,4.565088220412656,7.096376470998915,8.724195361609025,9.561032120447154,9.94773776565697,10.092065638069856,3.622427798795672,0.4416182235815464,0.0185836027892735,19.858863203932312,6.099720833764972,11.42762470529666,0.7014304222211578,4.206743816843643,9.023459335228916,0.704969927666197,5.508204843869022,0.4462840497679209,33.684875870354055,4.206743816843643,9.023459335228916,0.704969927666197,5.508204843869022,0.1612470879228848,33.684875870354055,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.1835963639482663,3.64398917843722,4.1437710827897565,4.672247688208887,5.218846147971567,5.774106905691335,6.330185542930964,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_45,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399677545470269,0.5850513563070975,1.9145320861627115,4.29969011797182,6.633154795039432,8.149682106294717,8.935310099497647,9.299793791518509,9.436064287829486,3.434234249923988,0.4410629356045564,0.0185158049699925,18.935301746405944,5.457992058301939,11.15674981876497,0.5553993278018071,3.1478389710868027,6.772725963866296,0.5532350232425881,4.050438805071791,0.2797848693353117,27.349413397778047,3.1478389710868027,6.772725963866296,0.5532350232425881,4.050438805071791,0.0482550176353646,27.349413397778047,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,3.2759512604987493,3.740721574755854,4.243770641951563,4.7744110908978605,5.322148967884078,5.877643438991935,6.433186396202065,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_46,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1779435730325776,0.574126121939671,1.7805417055386437,4.212406688589531,6.792693483785295,8.540870588175538,9.463326864831592,9.894659303869991,10.056435065194524,3.3004050793732738,0.4519563667227676,0.0319174800844758,17.399665785069626,4.883165447753614,10.874671495674605,0.6885079983218949,3.1724963295205213,6.893781975534023,0.5493170991268108,7.567033122535009,0.3916776253385178,22.58971529127416,3.1724963295205213,6.893781975534023,0.5493170991268108,7.567033122535009,0.3916776253385178,22.58971529127416,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1213,5.642108479055926,6.193811172933956,6.730531781742509,7.252313780843211,7.75830447297721,8.247143123885072,8.717351397953857,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_47,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2164866891373639,0.7321128049751773,1.7522014566119946,3.384751860523197,5.072313166054463,6.220704077475324,6.82912754595274,7.114198861604067,7.221210800006887,2.785339828144412,0.5842043389478814,0.0403074867473483,8.576180281456987,3.7770304072812113,4.942392641790705,1.2212127036934863,6.171398937666565,13.163534164014546,0.9188029398715366,9.545921627612712,0.9043941716230782,38.26184211049904,6.171398937666565,13.163534164014546,0.9188029398715366,9.545921627612712,0.6547844608025674,38.26184211049904,18.0,38.09036,3.0,15.0,1.2399999999999998,172.0,0.0,0.0,0.0,0.0,-1.3800000000000003,0.0,RSM1213,4.306775874845658,5.08275373049488,5.830037240349519,6.539451228187279,7.206867752973971,7.831257730322287,8.41340841673098,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_48,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0983657902548734,0.7517974530561199,2.4642849605993606,5.004112398337909,7.369443865629366,8.903544468740924,9.700681332434623,10.07121380134698,10.2098669026891,4.111242767537238,0.5318281256675742,0.0034658982113157,18.887284684496407,8.162743130277288,11.084324569737184,2.1472150445200207,1.23256116901939,2.70769085317416,0.2420144516913199,3.1686767825499498,0.0950716933488804,11.00309487892335,-1.1875833478938094,-2.617963003808216,-0.2420144516913199,-3.123698961424369,-0.0743384228350433,-11.00309487892335,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,7.8245063206078465,8.592059534346431,9.35006725938551,10.095871977268017,10.82561775615491,11.535151070104977,12.220659883507418,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_49,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1198185501983824,0.7959477104537194,2.315974972074369,4.538158545610167,6.629192828550216,7.983485218402524,8.6851362587639,9.010716880185964,9.132452360538014,3.752344004197712,0.5819796256579478,0.004868019652274,15.56793821934283,6.932807559013057,9.251226787430506,1.9395078687738727,1.3120047401164223,2.765144065256841,0.1440528825474188,2.464427800495773,0.3144915737692323,9.441081351530489,-0.128524085357766,-0.4048145226980343,-0.1440528825474188,-1.2809471457371164,0.2136545559860392,-9.441081351530489,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,7.546613846979533,8.323913260972418,9.088265304257016,9.837522134302532,10.56875057935646,11.278713288175512,11.964333208254043,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_50,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160463088393947,0.9175569392456232,2.2247126983605403,4.09351821073786,5.924938799142749,7.154221026848533,7.803296620180897,8.107118428874642,8.22113284853555,3.426104001685602,0.7168026323173664,0.023038999978312,12.0433667061877,6.068562148189643,7.063743482457217,1.813348748600967,2.216605966904517,4.874416457546624,0.440066255050308,5.73713600730698,0.1616919133581641,19.884354935528744,-2.184056583598564,-4.809470319288032,-0.440066255050308,-5.704586624001027,-0.1463544651770512,-19.884354935528744,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,9.518475827376095,10.308346902312016,11.064466260833614,11.786096056452546,12.472748065652628,13.124181668869936,13.740454128367473,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_51,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2157681392831749,0.9035808363411808,2.178640674560876,4.212606635728982,6.333964613752196,7.780460368534503,8.546862289171626,8.905898730431598,9.040663772302176,3.462639074965089,0.7100390147258165,0.0228183546478076,13.067266623003462,6.166045861835542,7.57562585476542,1.7261046734599623,2.144678848913573,4.715332556347531,0.4248832315656042,5.543744701438407,0.158637849679882,19.221058875879955,-2.104153466742469,-4.634443893534005,-0.4248832315656042,-5.503219319267303,-0.1387804124160406,-19.221058875879955,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,9.531142588187969,10.324311957407268,11.085337663715151,11.812575199273384,12.504881676527251,13.1616060770947,13.782585565145723,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_52,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0836946154696515,0.6315436575563533,2.090673916517842,4.3837415324154,6.633445248894868,8.135383154962483,8.926563822652533,9.296572084736676,9.435377529964097,3.560789604613658,0.4472109820455729,0.0031831099652182,14.45661608146392,6.170998030223245,8.508529152812455,1.5602458644675048,2.891297046654009,6.000383412868582,0.3745766924650427,3.243197733800145,0.1646721507760435,15.170942397849494,0.79847565486246,1.3950211135189052,-0.043987585893267,-2.198137884857882,0.0181746533506352,-5.583858307268001,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,7.929184836386863,8.779082651635463,9.609776902621734,10.416345275544348,11.194573261647225,11.94104911778378,12.653250783860717,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_53,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2155738791417968,0.8912611783670225,2.172655653630565,4.344567613634685,6.679154593257362,8.29093132949884,9.149179091552028,9.552060789019212,9.703405115759915,3.532649355776396,0.7025800447714197,0.0227129408185495,15.326804615696132,6.261421627333096,9.213467548892298,1.6902214902088497,2.1771417436834293,4.789994106921748,0.4345345589507778,5.653418215289654,0.1541301810753013,19.576399897432704,-2.16820384582435,-4.772164820760775,-0.4345345589507778,-5.644480317430575,-0.1500440101902428,-19.576399897432704,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,9.31681954869459,10.113454479646869,10.882163450864214,11.619641972923432,12.32352489824316,12.992329987308745,13.62536262258141,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_54,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3113808583239144,1.233338282963449,2.8883429776393217,5.199656264362783,7.407076126956037,8.868063872146118,9.634798073800372,9.99277523475123,10.126973833343063,4.382196223154048,0.974632223123452,0.0361277029443591,18.097077789999936,10.015459390962036,9.477779175969903,2.3903933831314124,2.9160864522476206,6.373299043770289,0.540488956435564,7.239998103732133,0.2938555530866494,25.390211389949386,-2.48880311210802,-5.520441496851647,-0.540488956435564,-6.812714763592533,-0.084486716418245,-25.390211389949386,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,9.508534588751258,10.300375000259502,11.071897832097692,11.817011945223385,12.530539704310776,13.208751001863948,13.849428825692874,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_55,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.315259977209703,1.273307239765394,3.037811339532316,5.34406392648122,7.428941237062018,8.777963692544349,9.480107622348076,9.8068944052475,9.929251780257086,4.547996528010876,0.998108074013164,0.0375169135320503,18.92022787457392,10.845004258805911,9.672503019604786,2.6181484176319336,3.195480435637251,6.989831990509543,0.5980416138464449,7.979813346408812,0.3098980243847186,27.93823445511516,-2.7849357028271977,-6.170384703820677,-0.5980416138464449,-7.569268613598757,-0.1087311053077923,-27.93823445511516,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,10.421540403611498,11.04503442255136,11.672598325206328,12.29692295602153,12.910394037097989,13.506418466963186,14.079942777565806,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_56,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3096733714381453,1.2564599400020215,3.0646432609645013,5.388735467641333,7.423801686653703,8.716847227439256,9.384437339310283,9.694077264932892,9.809853717202683,4.5960522732233375,0.9802731135031066,0.037871313064622,19.21440910571233,11.20863199936327,9.687250599740148,2.7221682712091693,3.0579050550442566,6.728622268770376,0.6111343608491132,7.946979941837162,0.214991319188548,27.512212492203545,-3.0534385534468744,-6.719707131582002,-0.6111343608491132,-7.94251344023978,-0.2128027334058307,-27.512212492203545,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,10.697860624254847,11.3116826724794,11.931898555943748,12.549943573357888,13.15744828768768,13.747402975626546,14.314557636006969,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_57,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1004199335958667,0.7270012837166339,2.2854998271764773,4.726152153570422,7.139476278617633,8.752202056664881,9.601031232979,9.997740543315455,10.146515051423496,3.846954378651312,0.5222300892001946,0.0035357215469058,16.94117393294489,7.258529059043351,10.042947625691738,1.896724110291795,1.0540460423810187,2.317929161307008,0.2093019822159075,2.728461900108279,0.0766092722047265,9.456269856223244,-1.038973779778057,-2.287869794384791,-0.2093019822159075,-2.7133896375053177,-0.0699021153464086,-9.456269856223244,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,8.137794063318893,8.921749137887351,9.6897267363149,10.43996918707957,11.169701717443912,11.8758143376248,12.555402217623444,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_58,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1253561437148408,0.7464758595963124,2.100889741393821,4.115386206542449,6.06286762768476,7.351257754448583,8.02654119608321,8.34159475941712,8.459664745052871,3.3969673981414186,0.5547916717757762,0.0064811449540136,12.716710542419406,5.881817187708841,7.3877552091903,1.5773664398688818,1.9314863993158389,4.0889394652707205,0.258002639476365,3.4783096234082773,0.3658974138664804,15.528631887219406,-0.0020426307997089,-0.1658917090081086,-0.1287031665467445,-2.38931242893468,0.1187063376742706,-7.31811535618851,13.0,27.0876,2.0,2.0,0.8900000000000001,127.0,-5.0,-11.00276,-1.0,-13.0,-1.73,-45.0,RSM1213,7.338764164582315,8.142409683463125,8.93734871180866,9.717605884121747,10.478047640563474,11.214351821915317,11.923056453190071,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_59,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2124730559506759,0.9016444236227374,2.136916171621161,3.833341564768021,5.490838283592709,6.615221201086657,7.21360828720889,7.494839259375254,7.600562322681725,3.2310592324849656,0.7055892763626715,0.0226503509937117,10.293973978096242,5.409005892794108,5.926378990777335,1.6953371187695556,2.385679513568946,5.248207827750866,0.4756938268539655,6.1891487705739925,0.1696617823034246,21.44513597193572,-2.368657057687361,-5.213957022800344,-0.4751734873972961,-6.175508521160758,-0.1635918713145354,-21.412094416437217,13.0,27.0876,2.0,2.0,0.8900000000000001,127.0,-5.0,-11.00276,-1.0,-13.0,-1.73,-45.0,RSM1213,10.12019552720326,10.874500028175811,11.596419951170793,12.28546141022867,12.941339285643522,13.56393187062826,14.153332459955596,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_60,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169537130030023,0.9079905414900016,2.204002562265904,4.274983414352321,6.433324998641578,7.903724947068281,8.682166806716229,9.046673309430853,9.18346211765604,3.511603469455073,0.71290126383134,0.0231890551617696,13.46099559208306,6.395632864087016,7.724084354151875,1.7697476931257223,2.2527951226517287,4.957007570998983,0.4501823557688329,5.854253968802394,0.1584866629847979,20.267622728635303,-2.2490284350366,-4.949489262519186,-0.4501823557688329,-5.850487281187265,-0.1566409860533847,-20.267622728635303,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,9.728115361716714,10.50810334302682,11.25486910761045,11.96743896202804,12.645224528913266,13.28799141033276,13.89585847955031,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_61,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0819654059766499,0.6317934883388012,2.16483598348608,4.684528316073914,7.19627960737615,8.872109915577424,9.752396803467867,10.163345277523677,10.317381657845974,3.77144102039504,0.4448060138967138,0.0030814037879956,16.86176274806026,7.151650341663587,9.697061029338869,1.651935254929483,2.9172908315453707,6.043105383578661,0.3720733949777051,3.134722172892481,0.1639339333308587,14.95758527243997,0.9210292683149008,1.650228008088724,-0.0271789176683887,-2.055557891506741,0.024195623904726,-4.955645430469793,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,8.152657524684082,9.00252370432056,9.83117992057711,10.634259855216786,11.40789051629618,12.148905933619618,12.85498518446458,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_62,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161008612151329,0.8898595466924138,2.208864127242736,4.555006961248243,7.093973279655979,8.836902400779662,9.760913453813428,10.193696177636715,10.356115356374582,3.671870160133958,0.7015656368925791,0.0230101096535724,16.478533118640808,6.901317304892823,9.733961623597148,1.742477644339651,2.079667894373113,4.575498926817355,0.415038693571494,5.399977442945065,0.1473697047818963,18.699113343295448,-2.070719041341826,-4.557643345344029,-0.415038693571494,-5.391028589913779,-0.1431573807181491,-18.699113343295448,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,9.38138648570844,10.183838192568793,10.956809079849537,11.697246729364627,12.40300413148967,13.07279025570098,13.70607680137062,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_63,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.231621679225942,0.9685308825009216,2.426283383477667,4.758831399714982,7.144315535767035,8.756162168230476,9.607016981744753,10.005001586710376,10.15429277119754,3.905470300331362,0.7579853627162151,0.0245207862874309,16.87752953454979,7.653010207427561,9.699730210000215,2.0797786457610057,1.897847454916353,4.103548855198226,0.3086021014339895,4.36666426638827,0.2769567468764621,15.661279303261562,-1.1881735594235407,-2.6874008599494585,-0.3086021014339895,-3.656990370895457,0.0609352758726696,-15.661279303261562,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,9.340856515448852,10.085682216147204,10.798600054712605,11.481359632565296,12.134773717136344,12.759105845147715,13.35439169955215,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_64,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3197031271800127,1.2702330291622776,3.0229844246559896,5.408687070333464,7.63453591369435,9.0866744503545,9.843123907715023,10.195088662505906,10.32684327593207,4.572591807417753,0.998460910158794,0.0389038497822085,19.56100224488628,11.062793946418122,10.070198536947496,2.624129917402407,3.158981771233141,6.906877597870696,0.5881633838724095,7.864288842212417,0.3127579617721788,27.558176533613896,-2.722652067490955,-6.035963509201291,-0.5881633838724095,-7.427959138470231,-0.0989564069385074,-27.558176533613896,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,10.09089529118362,10.77648088320074,11.45652546866979,12.12482579549803,12.77478777121792,13.40079015901121,13.998694740453338,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_65,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3088483482106415,1.2571083071325315,3.096792892692976,5.560557003102365,7.794596611355806,9.235779919693751,9.984038521000269,10.331839045559638,10.461991121191875,4.707476802206521,0.979959263395194,0.037574361738524,20.75047287894558,11.78089555109194,10.48133702673334,2.7881409231235312,3.0546463635321657,6.721908164563434,0.6109292727064332,7.942080545183631,0.2138252454472514,27.491817271789493,-3.0546463635321657,-6.721908164563434,-0.6109292727064332,-7.942080545183631,-0.2138252454472514,-27.491817271789493,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,10.672907600357526,11.293156318258305,11.916289061945042,12.535135695376912,13.142250193450128,13.731220159855663,14.297170009481649,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_66,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0985240818992414,0.7521845464837403,2.4643072869140865,5.005425782247798,7.373345670272007,8.909429611205779,9.707642171412822,10.07868117705267,10.21752465032929,4.111858365673737,0.532225440196187,0.0034750198745407,18.901072193497324,8.1689408665999,11.089008802462752,2.1464970147152025,1.2335474766305097,2.710068646814177,0.2424133588843021,3.1728543477049267,0.0947482969965718,11.01600456083859,-1.190586112212511,-2.6243633703815106,-0.2424133588843021,-3.129892983286928,-0.0749410542224394,-11.01600456083859,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,7.782298761251155,8.548887242917734,9.30586561147924,10.050663468767276,10.77949082280037,11.488235609442157,12.173105858756838,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_67,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1191585484131269,0.7938238431920204,2.3133389030802314,4.536753049426659,6.62979213073047,7.985617834605737,8.688112022741617,9.014093045857482,9.135979592483578,3.750359126132953,0.5801642841279008,0.0048089620812592,15.5804381337772,6.9286581845521695,9.259575271781411,1.9334541440224329,1.31557388082949,2.772745996376808,0.1445225412075092,2.471754210489564,0.3151881195003205,9.468320228297635,-0.1296515312456025,-0.4075476746158614,-0.1445225412075092,-1.2858318609056765,0.2140223406550641,-9.468320228297635,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,7.352581854894731,8.13185375099598,8.89857133470374,9.65029268308312,10.383884559193923,11.09598707185947,11.78345962962012,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_68,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2158543250700494,0.917165251567646,2.224609052044693,4.095448185059575,5.929309634111698,7.160141071208551,7.809980051148075,8.114144874206348,8.228285604964213,3.427189700529544,0.7164635441280517,0.0229787271326526,12.064815996806932,6.07585659691333,7.074980320573572,1.8135206112513835,2.2096342201898374,4.859022693326013,0.4386207273215349,5.7186000387621165,0.1613187337466295,19.82058564737989,-2.176573053025512,-4.793054494162572,-0.4386207273215349,-5.685538871597792,-0.1457157753784446,-19.82058564737989,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,9.380595899344158,10.170567911600807,10.92679388144112,11.648534737833904,12.33530667979456,12.986874837501995,13.603301322359156,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_69,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2156636148126695,0.903387179664772,2.1783797436864214,4.212172587254022,6.333095412382193,7.779202106819552,8.545377631625232,8.904304133006674,9.039027330780756,3.462301487992916,0.7098681406999622,0.0227897857156795,13.069572646990748,6.166759016283083,7.575063622161093,1.725760613866215,2.152295241578546,4.732384344718921,0.4266915430092521,5.565827585652563,0.1585724280540579,19.29530706807777,-2.1146201885139755,-4.657184938802037,-0.4266915430092521,-5.528152532587994,-0.1401116520524182,-19.29530706807777,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,9.488693765910414,10.28235625614745,11.043734236735997,11.77121163990414,12.463672487758638,13.12048830854988,13.741514053112407,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_70,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0837183864557131,0.6317224705300637,2.0917537880845205,4.3866095527114,6.637986855516201,8.140980309916804,8.932698547959264,9.302954005380544,9.441851503037752,3.5630177411389576,0.4473264569770278,0.0031842773939402,14.478650157060825,6.181405566272301,8.518044341485789,1.561887937031058,2.8963765493986404,6.011950416441429,0.3759742129068903,3.2594178436466485,0.1642544704713855,15.22418895705028,0.7896046759591836,1.3758893568004833,-0.045380161781001,-2.2181890272959395,0.0167804393306236,-5.636961474399491,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,7.918583096834199,8.7679920781805,9.59816030352731,10.40421514666449,11.181976954712786,11.928055489845862,12.63993920972434,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_71,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2153762046055871,0.8908157112681554,2.173394116815165,4.349559513954411,6.688404888764327,8.302598458526129,9.16196342332453,9.565331228117584,9.716852040214292,3.5359994639722623,0.7021565609749706,0.0226850103871696,15.364749707108016,6.27633262459597,9.23167671760421,1.6913869501881695,2.180326056860123,4.7970974933176525,0.4352652065986113,5.662447709649011,0.1541621373875933,19.606934416272843,-2.17232600912599,-4.781139715792221,-0.4352652065986113,-5.65444766191488,-0.1505235072314342,-19.606934416272843,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,9.31826170350295,10.11521049745591,10.88433094120234,11.622270223878726,12.326625952218016,12.995889343497344,13.629348516901322,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_72,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3115414730189011,1.23339419525315,2.886594813769645,5.196191294789164,7.403358541677127,8.86463824075716,9.631624917604976,9.989738939955885,10.123991674493295,4.379135276625346,0.9748197732244452,0.0361612966969463,18.080680057500008,10.004250282252874,9.470709570723336,2.386639054040011,2.914308846482524,6.369386105427577,0.540132238109097,7.2353667513553,0.2937336347473325,25.37418899459456,-2.487013534608447,-5.51650466292692,-0.540132238109097,-6.808071439481224,-0.084358931929035,-25.37418899459456,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,9.480566005690571,10.2708735565429,11.04123203596236,11.785497641031446,12.49844005127938,13.176280344996218,13.816758389791506,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_73,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3143160138338461,1.2720353890925158,3.0363426914670595,5.340408462087392,7.421496138737953,8.767515916227385,9.467989599346764,9.79398008963331,9.916036615261795,4.545379221765196,0.9968447741201424,0.0372563880262896,18.89154036595387,10.83352514462692,9.657372260162392,2.6158793694918447,3.194372821529134,6.987398819845692,0.5978241895200642,7.976966337689647,0.3098118845571405,27.92834789804696,-2.783869073671509,-6.168033339121872,-0.5978241895200642,-7.566462589832022,-0.1086650481069041,-27.92834789804696,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,10.384082808415958,11.008524008418563,11.636566669370085,12.261088265069043,12.874596623689174,13.470576703221669,14.044023452411174,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_74,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3102071818368557,1.256757932994823,3.064008123035299,5.387281366572945,7.421259335837501,8.713464160085811,9.380598002780811,9.690023808585,9.805719972214616,4.594912969508957,0.9807409384151354,0.0380164414250779,19.20249692795652,11.204471856313951,9.678060545157924,2.719350565278557,3.057181570268001,6.727021113840147,0.610980777098454,7.945027787055632,0.2149593375245672,27.505523393309083,-3.0526262007165377,-6.717928596215424,-0.610980777098454,-7.94047241750417,-0.21272720644435,-27.505523393309083,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,10.679541373686494,11.294241972855424,11.9152807347651,12.534071834403676,13.142232315254658,13.732746399139788,14.300364096845795,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_75,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003648122551733,0.7272830691399029,2.287383173805458,4.731500316460676,7.148782297616087,8.7641306169864,9.61429784636764,10.011620047288684,10.160622224120736,3.850942984449679,0.5223447825107025,0.0035308520400068,16.985600994766813,7.275141532738705,10.069152027810745,1.8997435205019504,1.0543266516607144,2.318653400688501,0.2094616375679726,2.730019752204496,0.0764347895490691,9.460866009663023,-1.040289724019012,-2.2906588540462725,-0.2094616375679726,-2.715982824562793,-0.0701883567485116,-9.460866009663023,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,8.063840337510438,8.847030206775313,9.614759424752132,10.365133172125274,11.095259135170298,11.801934721440828,12.482185897527204,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_76,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1256830157816285,0.747642159582653,2.103972845055376,4.12091003626963,6.07025599763027,7.359786734314786,8.035659644650915,8.350987819341782,8.469160739292132,3.401705657179136,0.5557157855328629,0.0065124049325631,12.73913230649164,5.896959158026589,7.397018634406755,1.5815210592156468,1.9401740332066533,4.107399180158921,0.2596705607245675,3.4899320898540567,0.3664376458627413,15.619740220604683,0.0029764623974002,-0.1555048086805243,-0.1277689534372831,-2.4041420416173507,0.1167389256025927,-7.243988157862124,13.0,27.0876,2.0,2.0,0.8900000000000001,127.0,-5.0,-11.00276,-1.0,-13.0,-1.73,-45.0,RSM1213,6.787013892947236,7.5887874769366785,8.382207414888436,9.161235513268704,9.920698404349016,10.656244210901177,11.364385224176589,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_77,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2122448851895939,0.9016833277759604,2.137122142572543,3.833220639778818,5.491161697100639,6.6162754812195965,7.215155474987269,7.496638420451814,7.602459244403168,3.230996792764271,0.7055355230527641,0.022552190010821,10.28740937220958,5.403982120107528,5.927664997775847,1.695941769856402,2.382023073735022,5.239722600984566,0.4744990508040088,6.176623513938398,0.1702880131983335,21.40201033831974,-2.3612274765191983,-5.19804688387846,-0.4741510592468352,-6.158089861844203,-0.1620405380164167,-21.379912874439217,13.0,27.0876,2.0,2.0,0.8900000000000001,127.0,-5.0,-11.00276,-1.0,-13.0,-1.73,-45.0,RSM1213,9.65019391417596,10.403094315996576,11.123811943272562,11.811841217625812,12.46688588452703,13.088811375505058,13.67769611848846,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_78,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170467029041964,0.9081381239838708,2.2028759402590974,4.272072715928345,6.430005061244227,7.90064846244884,8.679333193211333,9.043975130053138,9.180817984793624,3.509163202283616,0.7130932404922091,0.0231903492059121,13.448295840972571,6.383091920465374,7.722898636161103,1.7682250139362032,2.251017517279388,4.95307767147208,0.4498090529375639,5.849489940779899,0.1583995722980155,20.25126864514821,-2.2470730120962514,-4.945204439126542,-0.4498090529375639,-5.845545435596762,-0.1564667647582789,-20.25126864514821,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,9.52441173080767,10.303414110260984,11.049477574853835,11.761550347554694,12.43898989316037,13.081523970469132,13.689244477262209,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_79,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0820172195827673,0.6318839280749107,2.164588577086064,4.6850298494634695,7.198066617578717,8.874771880969389,9.755504178382106,10.16665621657302,10.320768138422352,3.771551987271385,0.4449302590439152,0.003083734157029,16.868956277724052,7.150795500448619,9.702726953192684,1.65255377694704,2.918093902973156,6.045704705147072,0.3727402886757713,3.146287101185895,0.1638504718929139,14.988844440948034,0.9117717107113372,1.630688392320942,-0.0285241497765923,-2.070150598694833,0.0234079184345867,-5.006576412871845,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,8.084645275043469,8.934425576658379,9.762936202950293,10.565851040560412,11.339321375013718,12.080195009631506,12.786157832431211,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_80,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2162590419602977,0.889531477652182,2.2096871340020523,4.559914624986429,7.102682607785807,8.847707292920468,9.77267954551127,10.20587991658615,10.368450712361074,3.675250137052593,0.701320916906936,0.0231407756740086,16.518183487924006,6.914309632139195,9.757814070763336,1.7451551396355574,2.0802955070671074,4.5769374113509445,0.4152205471587168,5.402059884336842,0.1472892612372509,18.70588847850988,-2.071909964520061,-4.560206643561143,-0.4152205471587168,-5.393674341789796,-0.1433651217738505,-18.70588847850988,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,9.337015127332544,10.140271936454685,10.914671342377972,11.656880684067213,12.364545058550773,13.036229240204555,13.671311880396402,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_81,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2340240428357882,0.9717658740505946,2.4294640745197453,4.764062073904431,7.151374113003647,8.76389291714067,9.614923923436749,10.012951360377343,10.162252350405025,3.9098736602745694,0.7612398003219055,0.0251885023753026,16.913292808827684,7.67512114000843,9.716378547105558,2.085774962116417,1.8992778461252169,4.106880311118328,0.3090652488468818,4.371799836900272,0.2767588404344979,15.677694207563722,-1.191374642343602,-2.694261203686708,-0.3090652488468818,-3.663896633118657,0.0604131662416808,-15.677694207563722,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,9.299997808881626,10.046494094693426,10.761367228417743,11.446151342164429,12.101528323854096,12.727686805137717,13.324623303055471,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_82,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3191592594243012,1.2701778578843987,3.0241583176609965,5.409857711490161,7.635028880485827,9.08676732548934,9.843057899140527,10.1949625916457,10.326697100502518,4.573922778478094,0.9981819622011998,0.0387140292752066,19.564968127785644,11.067610149986782,10.072070939276664,2.62628112636979,3.1589184524796137,6.9067337087952,0.5881462685731671,7.8640886010649504,0.3127628777113594,27.55751763386141,-2.722544233252058,-6.035730767217,-0.5881462685731671,-7.427714381837395,-0.0989395102898571,-27.55751763386141,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,10.063643694741476,10.748316780777076,11.42736075027608,12.09472298543876,12.74389031883367,13.36927524913234,13.96674402282652,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_83,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3101380607748322,1.2586426467983791,3.0970065906372777,5.559111071815795,7.79243136979559,9.233543279089773,9.98186604477028,10.329717183977628,10.459891388559242,4.706518583380284,0.9815994188602388,0.0379187498128675,20.74113240889049,11.777905761036854,10.475784132255187,2.7872807493282363,3.053193277166135,6.718710572454495,0.6106386554332272,7.938302520631954,0.2137235294016292,27.47873949449522,-3.053193277166135,-6.718710572454495,-0.6106386554332272,-7.938302520631954,-0.2137235294016292,-27.47873949449522,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1213,10.649842034703862,11.270742122710743,11.894649133076792,12.514308057008606,13.122216006888818,13.71192460859567,14.278537474184311,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_84,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0798851105441291,0.6501825405244531,1.881185982191602,3.673889355519288,5.43979319947718,6.620894246156682,7.242666034896134,7.533259659273739,7.642237142907511,3.0307554013057225,0.4675720365333449,0.002017598500437,8.98801815031918,4.9590062284328775,4.580225563878856,1.0782938947539753,8.751702254299666,17.616030661816605,1.049659602868425,1.1505485870815677,0.6683758927187927,38.72032909601008,-8.751231401349315,-17.614926778464714,-1.049502651884975,-1.1505485870815677,0.6182240384575379,-38.704947899631975,3.0,7.033300000000004,1.0,0.0,0.8599999999999999,98.0,-15.0,-31.05706,-2.0,-15.0,-1.7600000000000002,-74.0,RSM1213,11.02025265743368,11.856992831013477,12.659365460631877,13.42217484540841,14.141850931131344,14.816435481029988,15.44539898280887,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_85,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0815882043066914,0.6609014884113555,1.9559204446968708,3.9273634442504712,5.931638978320445,7.296902684321141,8.021981128030326,8.362187621226521,8.48997736935563,3.2113847328947007,0.4745394727824996,0.0020950960356134,11.070386346199763,5.613555542989529,5.71803673182233,1.161684607950297,8.852672477499286,17.836016608638396,1.065932041138955,1.4208475123008784,0.6636338976404771,39.42110229190333,-8.840456865792301,-17.807377921365482,-1.0618601705699595,-1.4208475123008784,0.5943192181949669,-39.0220589761418,3.0,7.033300000000004,1.0,0.0,0.8599999999999999,98.0,-15.0,-31.05706,-2.0,-15.0,-1.7600000000000002,-74.0,RSM1213,9.974801922077594,10.80017722209799,11.59164464488222,12.344786887976518,13.056350509008036,13.724405717619252,14.348296658190868,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_86,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0800723892634424,0.6509229625562523,1.883039120558544,3.677685854837768,5.444944517647199,6.626638325060406,7.248641689654032,7.53932712942736,7.648336537517169,3.0339010631181336,0.468178140462816,0.0020268143684106,9.009449497398702,4.9696070811964725,4.5920340155664165,1.0805949651150832,8.753251656244993,17.61928097895002,1.0498432932613164,1.152947590551414,0.6682147605093355,38.72438654703417,-8.752966779780227,-17.61861310507014,-1.0497483344397276,-1.152947590551414,0.6180291500906462,-38.71508058251847,3.0,7.033300000000004,1.0,0.0,0.8599999999999999,98.0,-15.0,-31.05706,-2.0,-15.0,-1.7600000000000002,-74.0,RSM1213,10.91832901139164,11.75466364311969,12.556609899653614,13.319051876918396,14.038463381149375,14.712903194904918,15.341841201185757,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_87,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0813022148813069,0.6600422810913102,1.9552392403670456,3.9263204235243374,5.930133928258285,7.295231443862096,8.02027283065894,8.360473318311936,8.48826260469024,3.210531027624977,0.4737435795938242,0.0020803108633445,11.069172829463692,5.611602153740911,5.716460669070907,1.160903472753943,8.860002477682565,17.851312748133545,1.0668753123912804,1.4294440834984152,0.663248306792811,39.439805960342326,-8.84967074567688,-17.827090691228356,-1.0634314017227195,-1.4294440834984152,0.5943472345703208,-39.10230271482338,3.0,7.033300000000004,1.0,0.0,0.8599999999999999,98.0,-15.0,-31.05706,-2.0,-15.0,-1.7600000000000002,-74.0,RSM1213,9.764172848536752,10.590894351149158,11.38366056398233,12.137969918073914,12.850523263257235,13.51937562718382,14.143876308922376,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_88,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2335188723586767,1.0076292357743126,2.746939488460975,5.204329255132857,7.489301101624099,8.988071489469258,9.772977915062524,10.139256614432474,10.276549378914568,4.345290011023827,0.7676239370296236,0.0326817933510581,19.727276256341025,9.383845683441375,10.848949821849155,2.1866852034505286,4.247859621774964,9.14308398641614,0.6495719243549927,9.444435016614904,0.7173501735242473,27.735017352424737,-4.247859621774964,-9.14308398641614,-0.6495719243549927,-9.444435016614904,-0.7173501735242473,-24.23073659597467,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1213,12.391223256585272,13.048972262869835,13.684653308316063,14.2971029175484,14.883826275267364,15.442347521563985,15.97082917634699,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_89,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.261098024235415,1.0437260490132696,2.629610054306722,5.056978839285464,7.521349197972176,9.19518161099924,10.082140097830544,10.497794001597969,10.653838611476626,4.175440294649212,0.8140554091459989,0.0359140029069242,18.82490010022795,8.852828563692638,10.65028273527645,2.402050096702412,3.3845496862130338,7.243322660618765,0.4769099372426067,7.199829184153887,0.656838828670349,21.69184780349123,-3.382779700333849,-7.239795609757313,-0.4769099372426067,-7.198059198274703,-0.6561308343186752,-16.46979710531323,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1213,12.091062320362024,12.739554115979754,13.35015224011997,13.928829823048464,14.478701477011557,15.001244746611052,15.497127566908054,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_90,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2338599171062649,1.0076746282383284,2.746609496989312,5.202387228296218,7.484634530114718,8.981288927444186,9.765028845924986,10.130753359318504,10.26783702384648,4.3441085898778695,0.7677678787049107,0.0328270404180979,19.703269152317347,9.37602650468627,10.830348235921662,2.1845529928311382,4.2416706150718335,9.129464755337557,0.6483341230143667,9.428343599186768,0.7169169430550283,27.691694305502832,-4.2416706150718335,-9.129464755337557,-0.6483341230143667,-9.428343599186768,-0.7169169430550283,-24.175035535646497,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1213,12.334532090145752,12.993311513036458,13.629916057470968,14.243183288565143,14.830621277097464,15.389759748419172,15.918768968228523,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_91,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2608916032107279,1.0436844810366483,2.630779025459683,5.059608535932688,7.525337287309706,9.200176984688657,10.087701578083651,10.503628159157165,10.659776312694218,4.177587263208799,0.8139039487175602,0.0358439258761154,18.85090849919559,8.860115988630211,10.66739154794138,2.402980124831604,3.3859746280789325,7.246458092924677,0.4771949256157864,7.2035340330052255,0.6569324009562537,21.70182239655253,-3.384067450095118,-7.242657659356332,-0.4771949256157864,-7.201626855021411,-0.6561695297627278,-16.483307542629465,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1213,12.061555877990246,12.709670304441964,13.320001994780268,13.898537402214382,14.44838686966104,14.971012771834872,15.467062931085016,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_92,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2470020543734113,0.760216477117146,1.7250107475896073,3.3991617305014565,5.16409818666784,6.36492557630906,6.999923697753006,7.297106077186248,7.408606207050982,2.7763642882804747,0.6235151702914846,0.0442102545651792,10.32440400568208,3.652016801078552,6.345001248911694,0.8122910096714122,5.389220537912915,11.485571779663118,0.7153953888677058,11.112383648854564,1.0568367852442988,26.946102689564576,-5.389220537912915,-11.485571779663118,-0.7153953888677058,-11.112383648854564,-1.0568367852442988,-23.131574531174827,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1213,16.057932921942612,16.744570876976606,17.351781975732074,17.891907792254127,18.374632771766773,18.80769459897671,19.197402247720564,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_93,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0273447700859772,0.2349998262361108,1.0495963080285382,2.792489198458276,4.683365543259569,5.975312183949678,6.659424979334405,6.979789237963224,7.100018536732135,2.131824522869085,0.1602359167934077,0.0007838742251631,7.707214597135196,2.2103722121843563,4.625892054492085,0.2350670416508504,6.212589753452245,13.022854422873948,0.954216575790746,8.543027611832404,1.1590743697084287,48.79635216728533,1.2737695651002992,2.4516638071174737,0.2544614103541635,-8.543027611832404,-1.1590743697084287,24.30492137700493,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,15.324297492827052,16.01911287821822,16.651169102289156,17.228403707692696,17.756570553569595,18.2401525569411,18.682916098437627,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_94,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0277151649032011,0.3046989591452533,1.2742434134313434,3.165215843051038,5.163111611738191,6.509582557504744,7.217244847500226,7.547445087132338,7.671174911641319,2.457221005023072,0.2036677237988055,0.0005183224074401,9.2031330422634,2.956024043905443,5.585813465116925,0.4427105620955058,6.556993573979366,13.764981349697583,0.9768457279611672,9.487463627050708,1.213679947134987,47.46856692583127,0.1386457061973062,0.0466218923715768,0.0865271207557515,-9.487463627050708,-1.213679947134987,16.307415673641714,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,14.959531687521856,15.812138733891851,16.580395423838212,17.271151940965524,17.891245032417903,18.44738611449744,18.94602236168076,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_95,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0263612658810825,0.2303080333011418,0.9962112088354091,2.512173451473205,4.097759797747335,5.17041598498347,5.737131942637155,6.002381582341006,6.101913709604188,1.94795709509793,0.1567586470836553,0.0007302472221185,6.9951525427105725,1.925063549991008,4.2602917671983045,0.1532807918421108,6.680612323531255,14.057465328105108,1.0062458235182254,10.211353804784764,1.2856555772324647,50.214697253782575,-0.0956364969643895,-0.4167723230063829,0.0750949947619541,-10.211353804784764,-1.2856555772324647,17.624418247313088,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,14.936174668662336,15.711876861465102,16.411704327918446,17.045123233768315,17.61951286237141,18.14090910317892,18.614480143176795,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_96,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0674523211297422,0.3448215051826558,1.1928557803388418,2.8426786730413163,4.586927906279223,5.778128424489736,6.410596281027,6.707289027550585,6.8187243090561385,2.2271517633160607,0.2558715302294856,0.0047111212178087,8.438236171839405,2.260377716195416,5.337376749515537,0.2295595065781083,6.811142495290787,14.45006653610055,0.998831061154022,12.62360109926989,1.4258860108029658,48.94001002568324,-2.817794372326825,-6.064434812688528,-0.2727677660696652,-12.62360109926989,-1.4258860108029658,4.4340510728541975,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,16.192037183331827,16.856317684794444,17.442575717723,17.96415043120093,18.431570727646264,18.853085135276498,19.23517027563134,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_97,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0259745395335439,0.2412449346592717,1.1804880120442591,3.2029724241265733,5.388595561664681,6.883000589367416,7.675193777522407,8.046404707983946,8.185755597967445,2.4381593106362742,0.1605480774111008,0.0007065169415184,9.924055011714428,3.0213255263306804,5.757099901346653,0.3140672762360692,6.703775631320678,14.070064198835658,1.0116263952009883,9.546722735257791,1.2195023934210192,49.15100226199837,0.4750199198847886,0.7354953186008427,0.1268144853915287,-9.546722735257791,-1.2195023934210192,18.182585418667284,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,12.173024139894158,12.916820258933011,13.591568722667583,14.204940511582342,14.763009201500104,15.270875114462868,15.733038950111174,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_98,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0314033537447843,0.3166765991322383,1.2910410108329304,3.139366743383736,5.049943744753644,6.3287954851395325,7.000042444298632,7.313208140196849,7.430557906447888,2.4541434406503684,0.2140708660331794,0.0007082964181771,9.499822470940808,3.029139715261015,5.697848678774374,0.3801695723569721,6.68390128618507,14.074039711114484,0.994846087279597,10.321669358015573,1.21574385355403,46.17388047376267,-0.7889506196594339,-1.9182711015040224,-0.0612334989489722,-10.321669358015573,-1.21574385355403,9.21109495576275,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,14.697888730864804,15.492013157873089,16.210915241157473,16.862423352265242,17.453055654164885,17.988501952448342,18.4738977597346,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_99,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0257723094693588,0.2388905614273924,1.135116429069511,3.066490971377906,5.138287511534504,6.53673656708198,7.271845063211765,7.614862568301379,7.743396299423443,2.336014169920176,0.159791351559234,0.0006937642605826,10.164889486295076,2.700760225015584,6.257041620776836,0.2791667606291352,6.523881914498701,13.703955004481893,0.9761797965354168,9.607906304089758,1.2425281688016077,48.66336829106646,0.1760694811834523,0.1492305660235829,0.1081313045485868,-9.607906304089758,-1.2425281688016077,18.281671071527413,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,13.672151248049104,14.394919886690625,15.052518068466323,15.65162752793514,16.197578000980506,16.69493487910619,17.14782313347262,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_100,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2473525443090664,0.7590313374788005,1.7227595052085334,3.3988566325161385,5.1667241571182965,6.369514190900324,7.005514906395018,7.30315746683218,7.41482876424774,2.7751203585469706,0.6227232931311429,0.0446391842019296,10.327701864734532,3.655720253424472,6.343015679629272,0.8106371073718632,5.3870393117144895,11.48087493056954,0.7150590966641922,11.107512085028027,1.0564966874675874,26.93519655857245,-5.3870393117144895,-11.48087493056954,-0.7150590966641922,-11.107512085028027,-1.0564966874675874,-23.118940207921007,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1213,15.625216979412444,16.281615220250288,16.864295605166078,17.384121346172158,17.849729865794036,18.26811556701864,18.645056520897523,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_101,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0274022032206553,0.2354834402387593,1.052262226858867,2.798035422385764,4.690933830490318,5.984074382986506,6.668801497077532,6.989452288976267,7.109789105731378,2.136472333072155,0.160533219977465,0.0007870595845642,7.730584754671564,2.2199248659606705,4.638087863863788,0.236267915509233,6.191622773872699,12.978239995277654,0.9511177798672736,8.502903713292262,1.1551300828218745,48.66362278763207,1.2856896131974038,2.477421550839162,0.2560026544604239,-8.502903713292262,-1.1551300828218745,24.33459339839232,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,15.144066829230146,15.839709256960637,16.472543958690583,17.0505196678661,17.57940413992467,18.063689969715263,18.50714810101928,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_102,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0279873907197568,0.306485507966353,1.2775903329612184,3.168031235811813,5.164336731544784,6.509587813004339,7.216589623450367,7.546478815676642,7.670091706423624,2.460441053044699,0.2050328990170116,0.0005247137497633,9.20575947263692,2.965579280550785,5.585387984595482,0.4473130771354658,6.567811105565951,13.787099592030684,0.9792692571338804,9.490621627072404,1.2165156197936142,47.67749799738927,0.1737924228122135,0.1206252646085514,0.0922136830150865,-9.490621627072404,-1.2165156197936142,16.63055290323148,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,14.843947680988956,15.702862952094188,16.476728045768567,17.17244994439997,17.796932900979826,18.35695612317096,18.85903003045179,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_103,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0264037199945929,0.2305225706280237,0.9965276601420796,2.5139459117007017,4.102968060250143,5.178639827859898,5.74710113316912,6.0131965911723695,6.113050382605275,1.9489346908927336,0.156927174467622,0.0007325163086988,7.012742243659641,1.926571855208468,4.274308010916873,0.1536380705998406,6.685870361663539,14.068466236897452,1.007519761050926,10.2158134496677,1.28669711617967,50.305789617200325,-0.0819905580690132,-0.388213677923116,0.0771733147972995,-10.2158134496677,-1.28669711617967,17.743663998323402,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,14.871492920762908,15.643575580984278,16.340420446206927,16.971389198152476,17.543777605411194,18.063550288658444,18.535813425490325,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_104,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0675969018249131,0.3458055916924797,1.1988494335451003,2.855905796568214,4.605445309880503,5.799541991729559,6.433389136491317,6.730697737208004,6.842359607261754,2.2380376033079186,0.2564565328408317,0.0047307489552937,8.48826569975985,2.285263440784961,5.362008282741197,0.2337678463158748,6.810133665223509,14.448200901224208,0.998409909538979,12.626955214666587,1.4252763295664932,48.8821294597207,-2.830961165964124,-6.092336570029426,-0.2749240005827273,-12.626955214666587,-1.4252763295664932,4.315442605460978,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,14.14980693692132,14.784883145059196,15.347586635797548,15.84992887023765,16.30147521074773,16.70976103836032,17.080726262777727,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_105,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.025844560535283,0.2408197273553936,1.179434204188942,3.200975923545617,5.386500533335982,6.88121008003787,7.673650199078887,8.044993407643366,8.184396427648156,2.436409964273601,0.1601832459873766,0.000699446497403,9.919976678806584,3.017670909430482,5.757021422966072,0.3132545800630278,6.69342947669536,14.048379522895962,1.0097296381974046,9.5335543732326,1.2171613236732477,49.02375173339977,0.4637946795355324,0.7120003678728021,0.1248623747300684,-9.5335543732326,-1.2171613236732477,18.053397512043,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,12.404371867246104,13.14998050071458,13.826387837993014,14.44120930238595,15.00050096867562,15.509369577295011,15.972335305026048,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_106,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0309475482500623,0.3143789032094977,1.2874179883969987,3.1365638382625978,5.049441998084765,6.330229919138323,7.002569924708151,7.316259132595572,7.433807001481918,2.450802235970692,0.2122225444560405,0.0006912772809509,9.505420575337617,3.022080891653239,5.70100666592377,0.3754198962108309,6.664363123569104,14.032762932604705,0.9918075848056144,10.289780806682272,1.2120306588971306,46.024274624752174,-0.7877341229062513,-1.9150717727580664,-0.0612807090563698,-10.289780806682272,-1.2120306588971306,9.16618433958272,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,14.555974429114556,15.350098865445744,16.06909001641167,16.720571425193615,17.310961374730827,17.845920558159488,18.33059714187809,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_107,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.025900206486007,0.2391676201987476,1.1354810918077054,3.0679799409417283,5.1409444059433325,6.53998673530673,7.27534052837482,7.618457334090414,7.747025850098821,2.3370419890960603,0.160075553789983,0.0007008018311914,10.17894608244614,2.7036450941555072,6.266135257576268,0.2798302396143889,6.548010712860653,13.755073388977168,0.9793066359941716,9.653073559682944,1.247180408891649,48.78300660716612,0.1558254416158719,0.1058950950008954,0.1054786224835743,-9.653073559682944,-1.247180408891649,18.19902613429521,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,13.88511289422424,14.614328379333068,15.276988826007212,15.880229404356603,16.429676595997538,16.930086070012006,17.385703208670954,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_108,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3904975175515345,0.9700638425143158,1.7839299193420943,3.190848336283504,4.7287840017700224,5.795021002556393,6.363669198475219,6.630792560676628,6.73116825016089,2.659992971976223,0.8362139529025202,0.0781343472792214,7.085301097887276,3.376882632870497,3.9641464711033634,0.7368566168468544,7.431285245749706,15.760071387533946,1.193030021948737,13.100738000357328,1.5424523513868038,63.48339217551146,-0.3457255999246126,-0.8831093181482021,0.0940114618847519,-13.100738000357328,-1.5424523513868038,25.01774257327199,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,19.942806265645483,20.40232628088004,20.770962393342568,21.071979135484348,21.32173075055346,21.531923235210712,21.711080906671587,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1213_109,RSM1213.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3948990683166994,0.974927047845448,1.7875191076723798,3.194654084867893,4.733819459320324,5.800824864771628,6.3698030740324345,6.637059527498349,6.737481484545059,2.663494906075225,0.8412368393470947,0.0798919048499187,7.101201529913187,3.3909803884673844,3.9892772381581247,0.7551700302437516,7.484610545594559,15.8726546032047,1.202687701162693,13.181096605331096,1.5537720040364151,64.07443822706718,-0.3092386249187119,-0.8073458177955635,0.1005283353106426,-13.181096605331096,-1.5537720040364151,25.498860422245404,11.0,23.0989,2.0,0.0,0.0,137.0,-7.0,-14.99146,-1.0,-15.0,-2.62,-35.0,RSM1213,20.04387480448132,20.4936340919663,20.85323400473589,21.146051632905536,21.38844668240142,21.59207649043168,21.765392716303097,O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O].Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O].[K][OH2][K].cat0,"linker O=C1C=CC(=C[C]1C=[NH]CCCC[NH]=C[C]1C=C(C=CC1=O)S([O])([O])[O])S([O])([O])[O], Oc1ccc(cc1CNCCCCNCc1cc(ccc1O)S([O])([O])[O])S([O])([O])[O], nodes [K][OH2][K], topology "
RSM1751_0,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,56.0,137.327,6.0,2.0,0.89,215.0,2.003481335912396e-05,0.0186220886796198,0.4133430984403989,1.7640753166650045,3.445604170079847,4.642097604730456,5.283855102618046,5.585756309923881,5.699247774697418,1.215048764339935,0.0064533925958873,1.2988704025586183e-10,4.182999991047069,0.8699077200957276,2.759891672762464,0.0311227921866554,48.10246323237956,121.54416109598482,4.011846197892028,13.82645958026825,2.526615482638642,149.3169176905441,-48.10246323237956,-121.54416109598482,-4.011846197892028,13.802767184484193,2.526615482638642,-149.3169176905441,-48.0,-121.3276,-4.0,14.0,2.55,-139.0,-55.0,-136.31906,-5.0,-1.0,1.31,-184.0,RSM1751,22.55322382952724,22.659591622102088,22.7416585568962,22.80627684608117,22.858051382332626,22.90016675157144,22.934880752688542,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_1,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,56.0,137.327,6.0,2.0,0.89,215.0,1.5207618453167932e-05,0.0170441516708236,0.4311549947233891,1.9331120747274864,3.8237628648092095,5.167363425459778,5.886640264305866,6.224643584314046,6.351645328088258,1.317934829286039,0.0056859225376634,7.398762335015478e-11,4.919663219632462,1.0238354309146656,3.21862384365015,0.035914816377057,48.44589294311353,122.28247938979752,4.063639342682475,13.172271000791618,2.4709014078441194,151.22528927220557,-48.44589294311353,-122.28247938979752,-4.063639342682475,13.044992315426668,2.4709014078441194,-151.22528927220557,-48.0,-121.3276,-4.0,14.0,2.55,-139.0,-55.0,-136.31906,-5.0,-1.0,1.31,-184.0,RSM1751,22.607095758829303,22.7040316006596,22.778940727758787,22.837999262158068,22.885369445316982,22.923936388451832,22.955749498117136,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_2,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,56.0,137.327,6.0,2.0,0.89,215.0,2.001947803641859e-05,0.0186170552092577,0.4132959005967797,1.7639666023080884,3.445453762332056,4.641925903825591,5.2836736559886885,5.585570594461973,5.699060501468915,1.2149595314037915,0.0064512389308968,1.2962387367550195e-10,4.182683066747484,0.8697968865980703,2.759727375861841,0.0311154568865216,48.10250449206562,121.54424829501596,4.011850962905213,13.82638973050312,2.526606056478082,149.31704494303693,-48.10250449206562,-121.54424829501596,-4.011850962905213,13.802687804692695,2.526606056478082,-149.31704494303693,-48.0,-121.3276,-4.0,14.0,2.55,-139.0,-55.0,-136.31906,-5.0,-1.0,1.31,-184.0,RSM1751,22.55325628031057,22.659618618999595,22.74168136226073,22.80629636204441,22.858068270274828,22.900181507172164,22.93489375463309,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_3,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,56.0,137.327,6.0,2.0,0.89,215.0,1.5217279870474284e-05,0.0170470451668476,0.4311797952178558,1.9331573979058263,3.823806832421652,5.167399961969768,5.886671679570387,6.224672401909724,6.351673143182627,1.317975917540981,0.0056871865773439,7.41310331122754e-11,4.919780925162252,1.0238922016998928,3.2186724819403207,0.0359188022884165,48.44589957406271,122.28249401272912,4.063640699117548,13.172256231232012,2.4709010003875003,151.22535106791483,-48.44589957406271,-122.28249401272912,-4.063640699117548,13.044974832996914,2.4709010003875003,-151.22535106791483,-48.0,-121.3276,-4.0,14.0,2.55,-139.0,-55.0,-136.31906,-5.0,-1.0,1.31,-184.0,RSM1751,22.60711527248053,22.70404772262848,22.778954269120483,22.83801079551549,22.8853793860858,22.92394504514732,22.95575710455904,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_4,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412850900807601,0.483260784438312,1.3464492430669142,3.114159018361894,5.11588852188375,6.518295664951868,7.268686953469622,7.621580744844307,7.75423975896582,2.434933332003568,0.383624675540583,0.0203131268664296,10.418091256393373,2.477078484913143,6.812619121104403,0.2788281034148986,4.119679855524397,8.932603994481736,0.6949694713112928,9.67943562601474,0.5301897769996823,28.049463714168525,4.119679855524397,8.932603994481736,0.6949694713112928,9.67943562601474,0.5301897769996823,28.049463714168525,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.571862704032474,4.25564895894009,4.95725160980592,5.659186855067943,6.348128162904705,7.014770266571382,7.653262232706939,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_5,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410406585412256,0.4856043212721922,1.372117867161715,3.1711588064050784,5.179871165131119,6.577802388207872,7.323885171453837,7.674405474739639,7.806122065033257,2.4836503729098944,0.384511309652529,0.0202372962228002,10.743207923299694,2.6889758000198354,6.930337920780796,0.2815086647066621,4.369269932978424,9.440808601605168,0.7050902617526955,10.00999202699999,0.6222808793890944,27.50996865779657,4.369269932978424,9.440808601605168,0.7050902617526955,10.00999202699999,0.6222808793890944,27.50996865779657,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.477556989060074,4.151246047874329,4.845552799832509,5.542800942899969,6.229313360512055,6.895382604355133,7.534766069011747,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_6,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398640605520155,0.481556918335944,1.4502401542217855,3.5571404827846016,5.87329160353386,7.448996486851068,8.279167838687354,8.666832024837356,8.81213369590976,2.751120162429176,0.3808171818321321,0.0199249803043732,12.6490319580403,3.4597364630721863,7.8602799147683395,0.3865893965702171,4.080978745464024,8.854471863120986,0.6940494293021497,9.633374179881224,0.5146928617899593,28.178566323830367,4.080978745464024,8.854471863120986,0.6940494293021497,9.633374179881224,0.5146928617899593,28.178566323830367,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.6490763557464567,4.352717423814498,5.069990515765326,5.7836936334342095,6.481000109865326,7.1531803645267935,7.794952067976506,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_7,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399954826401531,0.4847259457283837,1.3660427383680225,3.0663083220566576,4.892187098892675,6.138972960540554,6.798794367766228,7.107655712877018,7.22354436837142,2.426903292302129,0.3831715671178243,0.0199450935311313,9.79400534772192,2.5034893081539744,6.296832811880735,0.2533196766262817,4.243665489067827,9.18525811432072,0.7001909255955787,9.845192893832458,0.5755731571434725,27.79503734635138,4.243665489067827,9.18525811432072,0.7001909255955787,9.845192893832458,0.5755731571434725,27.79503734635138,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.5975015030008453,4.310846268231908,5.0405850492916775,5.767700144993971,6.478096562407555,7.162267261737453,7.814529060748987,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_8,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409534610765519,0.4790643084835984,1.2541345575323393,2.523625319714508,3.749240282095784,4.551419196251687,4.969629930839848,5.164309893293612,5.237203652475352,2.0682350224035275,0.3814276301338131,0.0202296762929274,7.4316478785134175,1.653209056693245,4.945579580568848,0.1255054289241784,4.89684178808283,10.543715924202983,0.7543084006362579,10.931308993172896,0.7647663445038757,28.31737910412391,4.89684178808283,10.543715924202983,0.7543084006362579,10.931308993172896,0.7647663445038757,28.31737910412391,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.448100668957597,4.129113551807772,4.831392762935986,5.536466467111296,6.230160081811532,6.902505592140484,7.547166534927477,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_9,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414338209949871,0.4831178362608279,1.32561367072918,2.928337147046077,4.658058087193323,5.848109459942071,6.4808464527272855,6.777707151679423,6.889202368715867,2.3256266211084387,0.383556044677147,0.020362865288051,10.092461216731587,2.289180167666911,6.684115493135475,0.1977031590284776,3.875127890360748,8.490601762579889,0.7393143174546607,9.789642429998032,0.338217565983044,32.3763627700225,3.875127890360748,8.490601762579889,0.7393143174546607,9.789642429998032,0.338217565983044,32.3763627700225,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.628892712847797,4.303489705351091,4.99335242104218,5.682339630964819,6.358243362776035,7.012546935874204,7.6398777272445875,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_10,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420842437182455,0.4915880962848126,1.4169190595685448,3.2436389340095606,5.209027200028054,6.547285042308452,7.2541069257292605,7.584643396779448,7.708612501950411,2.554921797739746,0.387881108966564,0.0205294482748692,11.233415344873888,2.8399407206679355,7.275186654855196,0.3085930766135499,2.933114635063708,6.4543550447766025,0.5865101913049307,7.625196165503151,0.2055294039066049,26.390140216026605,2.933114635063708,6.4543550447766025,0.5865101913049307,7.625196165503151,0.2055294039066049,26.390140216026605,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.590281656511622,4.259566338699893,4.944857561569652,5.630183454451611,6.303357369679194,6.955790964778545,7.581991273843545,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_11,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432174700506341,0.513897712079748,1.5311491452315935,3.413374189706468,5.352031055265109,6.646889646518639,7.325212200497552,7.641318795828616,7.759708501294111,2.7171824667290223,0.4000016410517508,0.0207833138242945,10.87950623140274,3.146182366711417,6.971196871631927,0.5991382506441534,5.969854839333913,13.587576254607445,0.8590963881333553,9.358965445595024,0.534719268535135,34.327036742557056,5.969854839333913,13.587576254607445,0.8590963881333553,9.358965445595024,0.4376214971854433,34.327036742557056,55.0,136.31906,5.0,15.0,1.2399999999999998,184.0,0.0,0.0,0.0,0.0,-1.31,0.0,RSM1751,3.236940384326033,3.8937287206837614,4.575276520717127,5.263651680375275,5.944820343099504,6.608627578288017,7.24833643467537,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_12,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1436984835275115,0.5297489860756993,1.6643256522070495,3.8246771847314833,6.066780879712411,7.566742837639206,8.352735611400181,8.719030938080154,8.856217385168812,3.0222276503069976,0.4082090866288249,0.0208586370760668,12.785271150714305,4.003395314605204,8.194692398602488,0.9731661543415886,4.432130070144749,9.624912570679305,0.7620624099534669,10.528629349772483,0.5434308625516632,31.183718346018928,4.432130070144749,9.624912570679305,0.7620624099534669,10.528629349772483,0.5434308625516632,31.183718346018928,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.204730613203828,3.86130297822742,4.54428492626485,5.2352393737611305,5.91963375879393,6.586903673033989,7.230011720231019,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_13,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416149910705173,0.4925194251069789,1.4446894498246503,3.310974304807796,5.295664091233073,6.644678043063019,7.357793792273235,7.6915251567263185,7.8167399261115476,2.611274780747894,0.3877980992433987,0.0203878350472375,10.870171265121945,2.796122270082623,7.182232967615821,0.4601447417610932,2.68693918956308,5.876903930947883,0.5026204966418883,6.707903162698187,0.25327450815203,21.748738817116784,2.68693918956308,5.876903930947883,0.5026204966418883,6.707903162698187,0.25327450815203,21.748738817116784,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.512902124361672,4.153814936140726,4.815681956691476,5.482693397462677,6.142336620283362,6.785458313314595,7.405920078547657,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_14,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1395068800170387,0.4872741266872383,1.3991470319065653,3.1913363521515623,5.149029969515907,6.499800158420186,7.218251499002584,7.555310929630348,7.681896831989803,2.513232973949336,0.3839695414380479,0.0197972417247807,9.52921167650003,2.473104778680741,6.355255806266952,0.4415427960164406,3.496054691174069,7.625637605545133,0.6336320037653638,8.56511072129698,0.3676843305124034,26.873966807705123,3.496054691174069,7.625637605545133,0.6336320037653638,8.56511072129698,0.3676843305124034,26.873966807705123,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.38949581730044,4.035450641416421,4.703561581673012,5.37757359127341,6.044640759873392,6.69538721055261,7.323542531551186,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_15,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1828758161855276,0.6924324388335517,1.7230590934413996,3.5880383232462303,5.678422311780813,7.145297529210813,7.930985793540268,8.300633174523986,8.439612410161825,2.877817310217963,0.5474018614718318,0.0249273208131375,10.457624756610729,3.899215314330517,6.591078550310616,1.3632537012569834,6.11623395001225,13.145076331083498,0.9175141408003747,13.45109921960206,1.0006152219946007,33.650905386737726,6.11623395001225,13.145076331083498,0.9175141408003747,13.45109921960206,1.0004689519429992,33.650905386737726,55.0,136.31906,5.0,15.0,1.2399999999999998,184.0,0.0,0.0,0.0,0.0,-1.31,0.0,RSM1751,1.7323870190280832,2.1769836204101853,2.686349213299764,3.2494473417916847,3.854316911096861,4.489401796232656,5.144257455230578,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_16,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1988545856595779,0.7544130964345981,1.7326068755067576,3.0570507781428744,4.328394349843543,5.173084051805656,5.617093287004902,5.824538227514233,5.902327494333635,2.588338758864728,0.596124070571987,0.0301788081366207,5.630530840698579,3.1095239252840075,3.3872795361791685,1.467155628535199,6.392338045585457,14.163947581640986,0.8574529360863757,10.92613852221196,0.8956629906941107,30.75698028019381,6.392338045585457,14.163947581640986,0.8574529360863757,10.92613852221196,0.8308368599323127,30.75698028019381,55.0,136.31906,5.0,15.0,1.2399999999999998,184.0,0.0,0.0,0.0,0.0,-1.31,0.0,RSM1751,2.7381601259926565,3.269429660160584,3.8271244756189344,4.401656799517885,4.984845094923773,5.570122601935964,6.152460571810006,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_17,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2210751435471484,0.6256614860055234,1.1978553419814029,2.168621310018948,3.321109735620907,4.156273156076686,4.609880699672778,4.824554540112427,4.905459753785941,1.791752133560773,0.5242854460794494,0.044346784940818,4.285469322574951,0.997403953286328,2.788061807681105,0.1126057461607382,4.916552785340281,10.581559658432202,0.7048660067342815,10.338769747576922,0.8344502486189809,25.00914919351212,4.916552785340281,10.581559658432202,0.7048660067342815,10.338769747576922,0.8284100032988687,25.00914919351212,55.0,136.31906,5.0,15.0,1.2399999999999998,184.0,0.0,0.0,0.0,0.0,-1.31,0.0,RSM1751,8.338390052213818,9.128996954544364,9.814418748987828,10.41108830799869,10.933791688005112,11.394994273783537,11.804861619631025,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_18,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1935419968973432,0.6921259090699207,1.7220068370273167,3.4637197178757986,5.33269337525537,6.624398769452409,7.312593859599486,7.635718700491704,7.757111890991505,2.813864955910901,0.5477788145884855,0.0314594520718112,9.3559923162622,3.6157902742829497,5.993300816351331,1.3464063578010517,6.674191193536945,14.46865336183317,1.0047153896523835,14.177416934998496,1.0077618232736336,37.57891081816904,6.674191193536945,14.46865336183317,1.0047153896523835,14.177416934998496,0.9928641304599668,37.57891081816904,55.0,136.31906,5.0,15.0,1.2399999999999998,184.0,0.0,0.0,0.0,0.0,-1.31,0.0,RSM1751,2.1230705877103446,2.654365103849138,3.231098002501345,3.837654122330694,4.460562651036641,5.089005911437885,5.714776280080523,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_19,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1995083370518153,0.6873993958261662,1.7680778901099403,3.6510590215998175,5.609215522240324,6.928737751597531,7.623124720311813,7.947391941296337,8.068943967463166,2.953620250616736,0.5448301698051575,0.0350396783084758,10.22442260068709,4.150666728363894,6.178574608132635,1.2893050392846073,6.630415566369196,14.31059014265373,0.9496132478400598,13.75387971776229,1.1005551633554065,33.869840576688915,6.630415566369196,14.31059014265373,0.9496132478400598,13.75387971776229,1.087359231460962,33.869840576688915,55.0,136.31906,5.0,15.0,1.2399999999999998,184.0,0.0,0.0,0.0,0.0,-1.31,0.0,RSM1751,2.8248072687903805,3.4587617779127293,4.11464032953465,4.776989189536898,5.434072683790247,6.077505096862955,6.701708047582322,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_20,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1870751328295787,0.6810234278722341,1.6401077856115684,3.174668993326353,4.815745548180777,5.9587457363558,6.570952628777492,6.859159015800667,6.967557075851243,2.6055024692931337,0.5394092101490026,0.0287451318040363,7.94260715906044,2.9682568964678904,5.280799022389657,1.2380949194519697,6.062576426678038,13.059692213346931,0.9396542388547048,13.579810337515672,0.935994812019155,35.46291458643915,6.062576426678038,13.059692213346931,0.9396542388547048,13.579810337515672,0.935994812019155,35.46291458643915,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,2.0051096997620714,2.500061090550066,3.049954262307028,3.639886129484862,4.256132076470955,4.887054891737448,5.523332504704532,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_21,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412631779195077,0.4832105799562224,1.346369781290068,3.114104092667921,5.11587738210967,6.518314701969454,7.268721562599086,7.621622528345693,7.754284214757123,2.434865119809876,0.3835827177485107,0.0203070281011764,10.417972597065956,2.476964270062502,6.812559510035137,0.2787888686933139,4.119635172580285,8.932505022022935,0.6949599088150887,9.679314443100994,0.5301878227699351,28.04901775415479,4.119635172580285,8.932505022022935,0.6949599088150887,9.679314443100994,0.5301878227699351,28.04901775415479,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.571828805777873,4.255608722153305,4.957206792635582,5.659138986738048,6.348078501794105,7.014719808048343,7.653211739833528,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_22,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410328281141332,0.4855915968213795,1.3720907228578625,3.171095043855116,5.179782901944748,6.5777065982688665,7.323787970318608,7.674308163948661,7.80602479926087,2.4835992871735844,0.3844994994010256,0.0202350828586479,10.74280472549112,2.6888549640867594,6.930128198004781,0.281493022069619,4.369433233713246,9.441162361659307,0.7051174983785754,10.010373220741853,0.6223024795425655,27.51105871793405,4.369433233713246,9.441162361659307,0.7051174983785754,10.010373220741853,0.6223024795425655,27.51105871793405,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.4775619136966056,4.15124459921991,4.845546061348955,5.542789958995538,6.229299070419221,6.895365816660918,7.534747459480241,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_23,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1397878551457339,0.4814516244049874,1.450134236328848,3.557050972843552,5.8732304705041045,7.448957167241274,8.27914046938138,8.666810315348283,8.812114119051525,2.751022699940229,0.3807137762427655,0.0199033090958343,12.648820515128074,3.45951277706577,7.860239851774404,0.3865240429494774,4.080908418945992,8.854324724439632,0.6940427533338116,9.633250445616484,0.5146740839300693,28.17845063863685,4.080908418945992,8.854324724439632,0.6940427533338116,9.633250445616484,0.5146740839300693,28.17845063863685,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.648657027441805,4.352177119862061,5.069340445938318,5.782950277439627,6.480182088032122,7.152306213706012,7.794038884277922,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_24,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399903509873858,0.4847148448490653,1.3660478225568982,3.066359217430777,4.892270939437779,6.139071020201806,6.798897832716057,7.107761271287627,7.223650645094818,2.426938469006485,0.3831614786596273,0.0199437118327221,9.79428025976799,2.503579655038908,6.297018918130529,0.2533393112806886,4.24356270672636,9.185028337030731,0.7001668779847086,9.844897730604028,0.5755725082719011,27.793867925297803,4.24356270672636,9.185028337030731,0.7001668779847086,9.844897730604028,0.5755725082719011,27.793867925297803,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.597228832201926,4.310492932560232,5.040157656546144,5.767209240873681,6.477554419766271,7.161686284285824,7.813920792515797,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_25,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409502089362658,0.4790626574728091,1.2541428203356166,2.5236342093094604,3.7492415044175,4.551413593926688,4.96962046462564,5.164298577754987,5.2371916374816685,2.068245187774463,0.3814246629493331,0.0202287379730708,7.431598001470181,1.6532400091600157,4.945503986947774,0.12551060404292,4.896879760052922,10.543789643521592,0.7543064510141004,10.931331368165724,0.7647868975721117,28.31705277072241,4.896879760052922,10.543789643521592,0.7543064510141004,10.931331368165724,0.7647868975721117,28.31705277072241,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.4481126785646903,4.129120781841321,4.831396030182209,5.536466504698135,6.230157528261283,6.902500992009066,7.547160345279084,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_26,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414343358074035,0.4831327110152051,1.3256553780568712,2.928383790491344,4.658097740669218,5.848143685635951,6.48087800471974,6.777737522157266,6.889232308475504,2.325674064323524,0.3835654538254235,0.0203628657802113,10.092673483985774,2.289219476878861,6.684270963389897,0.197710556408845,3.874966216375089,8.490272925126433,0.7393081070976769,9.789431073156504,0.3381572654787698,32.37673641496194,3.874966216375089,8.490272925126433,0.7393081070976769,9.789431073156504,0.3381572654787698,32.37673641496194,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.628887340776557,4.3034836083315895,4.993345589944752,5.682332117360134,6.358235254316102,7.012538337523367,7.63986874803187,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_27,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420232840810384,0.4915057239467739,1.4168258534454454,3.243519445915588,5.208894382428646,6.547149877001234,7.2539721905454195,7.584509204535099,7.708478565851402,2.554810614193912,0.3877997369148403,0.0205118486881825,11.233025907685985,2.8396942460457635,7.274967244717751,0.308513336326529,2.932950656032585,6.453995185676099,0.5864783511484005,7.624777465219789,0.2055161335312494,26.388731300225107,2.932950656032585,6.453995185676099,0.5864783511484005,7.624777465219789,0.2055161335312494,26.388731300225107,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.590259598440514,4.259538036871532,4.944823821016332,5.630145204654212,6.303315543685296,6.955746422542734,7.5819447612487005,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_28,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1431728197549865,0.5138344913547306,1.5310656507038245,3.4132723688621662,5.3519313240888025,6.646797190143557,7.325124669535764,7.641233755913137,7.759624422241155,2.7170842285245045,0.3999406931451163,0.0207703531493437,10.879009695220033,3.1459944923791725,6.97086284672584,0.5991095733557077,5.969672419880616,13.587094794317755,0.8590746939539994,9.359026557828749,0.5347399557395018,34.32594660601031,5.969672419880616,13.587094794317755,0.8590746939539994,9.359026557828749,0.4376538095283134,34.32594660601031,55.0,136.31906,5.0,15.0,1.2399999999999998,184.0,0.0,0.0,0.0,0.0,-1.31,0.0,RSM1751,3.2370566168717536,3.8938521706382607,4.575404635386317,5.263782188273976,5.9449513456979775,6.608757559144775,7.248464227215551,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_29,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1436533190035025,0.529694066590706,1.6643043687493717,3.82466657146758,6.066749846288014,7.566691433301427,8.352672463929986,8.718962149597791,8.856146461330342,3.022218540749819,0.4081514317220892,0.0208455090261778,12.78526943650242,4.00334936204672,8.194721784098954,0.9731725500096228,4.431907733870365,9.624418469556822,0.7620132496410865,10.52801373099906,0.5434240984952753,31.181388805524232,4.431907733870365,9.624418469556822,0.7620132496410865,10.52801373099906,0.5434240984952753,31.181388805524232,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.2047699527951683,3.861346949072616,4.544332461114288,5.235289420247248,5.919685366273674,6.586956030952215,7.230064166216581,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_30,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415756077508687,0.492434995162869,1.4445700825863077,3.310893441776097,5.295629184020696,6.644666869327264,7.357792629074328,7.691528108696899,7.81674433151244,2.611176214026235,0.3877258321213198,0.0203768405023465,10.869964230547762,2.7960015355364134,7.182165048517266,0.460153659281573,2.686881300009992,5.8767760077759705,0.5026084005984831,6.707748504797856,0.2532714273822908,21.74818154184385,2.686881300009992,5.8767760077759705,0.5026084005984831,6.707748504797856,0.2532714273822908,21.74818154184385,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.5127499644247577,4.1536551858721165,4.815517877911203,5.482527810572633,6.1421718308834565,6.785296129433322,7.405761870562814,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_31,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1395688529072228,0.4873685523245381,1.3992462673813872,3.1914222123076748,5.149109836429792,6.499881024485115,7.218334205843233,7.555394767353861,7.681981135335543,2.5133233736790097,0.3840595142538924,0.0198147064447094,9.529599740731452,2.473231868420436,6.355505710176898,0.4415825971033346,3.495890184293325,7.625278739786764,0.6336021481279228,8.564707369316709,0.3676671042706739,26.87269944748799,3.495890184293325,7.625278739786764,0.6336021481279228,8.564707369316709,0.3676671042706739,26.87269944748799,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,3.3894204820910683,4.035370360623351,4.703478380924218,5.377489156973473,6.044556424416109,6.695303983476247,7.323461148597755,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_32,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1828912795455924,0.6924774938100907,1.723088572904706,3.588020499094961,5.678367715155227,7.145223590985306,7.930902925724137,8.300546378690962,8.439524178042898,2.877815712270778,0.5474428743386078,0.0249282432471395,10.45729454944522,3.899225864020439,6.590911494570889,1.363362787364222,6.11634132731249,13.145336278367417,0.9175249803980964,13.451141758026894,1.0006204471101128,33.651303012147594,6.11634132731249,13.145336278367417,0.9175249803980964,13.451141758026894,1.0004699528476408,33.651303012147594,55.0,136.31906,5.0,15.0,1.2399999999999998,184.0,0.0,0.0,0.0,0.0,-1.31,0.0,RSM1751,1.7323998334272743,2.1769952218507327,2.686360039801979,3.249457855419788,3.854327539615338,4.489412897776814,5.144269302870616,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_33,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1988465644881661,0.7543732754500955,1.7325475708343057,3.0569837618523947,4.328319110315571,5.173003063972149,5.617009357280959,5.824452957830557,5.902241728789303,2.5882743829768367,0.5960915493784827,0.0301785877644473,5.630407288984655,3.1093492720649283,3.387267345587468,1.4670786824589306,6.392706285273286,14.164837629461584,0.857485900982299,10.926237938910162,0.8956869231078365,30.75806414675776,6.392706285273286,14.164837629461584,0.857485900982299,10.926237938910162,0.8308459491497474,30.75806414675776,55.0,136.31906,5.0,15.0,1.2399999999999998,184.0,0.0,0.0,0.0,0.0,-1.31,0.0,RSM1751,2.73815349276286,3.269420688539932,3.827114294229906,4.40164620865406,4.984834643319126,5.570112650950223,6.152451346075152,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_34,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2210100125688529,0.6255532462426001,1.197743563528462,2.168517783590634,3.321011909137261,4.156179766683047,4.609790028919421,4.824465238422931,4.905370981925808,1.7916462065832803,0.5241836255108996,0.0443234336391765,4.285180063321038,0.997281904119652,2.7879903933862686,0.112615276238333,4.916504821750841,10.581519041739693,0.7048494718839695,10.338273963298509,0.8344136169999026,25.00859746625265,4.916504821750841,10.581519041739693,0.7048494718839695,10.338273963298509,0.8283645767889118,25.00859746625265,55.0,136.31906,5.0,15.0,1.2399999999999998,184.0,0.0,0.0,0.0,0.0,-1.31,0.0,RSM1751,8.338365588381828,9.12896848937618,9.814388343012022,10.411057316189902,10.933760979639624,11.39496438961504,11.804832880369002,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_35,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1935403010442882,0.6921229798945097,1.7220018275364188,3.4637050178188127,5.332662996275392,6.624356893107896,7.312545897005312,7.635667908367909,7.757060041543675,2.8138548021372647,0.5477763365674344,0.0314586520604263,9.35583589890355,3.615745110874149,5.993277983535445,1.3464401897824232,6.674513120544448,14.469437840067684,1.0047310046775622,14.177310745859684,1.0077946710108758,37.57903552172279,6.674513120544448,14.469437840067684,1.0047310046775622,14.177310745859684,0.9928815637798568,37.57903552172279,55.0,136.31906,5.0,15.0,1.2399999999999998,184.0,0.0,0.0,0.0,0.0,-1.31,0.0,RSM1751,2.123075222902364,2.654374051917551,3.2311100094699,3.837668157512142,4.460577901310818,5.089021756556508,5.7147922608025725,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_36,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1995091725308863,0.6874079034073116,1.7680872432309378,3.651058403133969,5.60919963882873,6.928708738446854,7.623087977278456,7.94735141141026,8.068901990330597,2.953623828703273,0.5448367129454572,0.0350396824417463,10.224347883692516,4.150664290793327,6.178516160166815,1.2893118076445174,6.630511893791682,14.310841955189847,0.9496206820844167,13.7538077404303,1.10055067422895,33.87014346305716,6.630511893791682,14.310841955189847,0.9496206820844167,13.7538077404303,1.087348393608777,33.87014346305716,55.0,136.31906,5.0,15.0,1.2399999999999998,184.0,0.0,0.0,0.0,0.0,-1.31,0.0,RSM1751,2.8248411273420704,3.458803555818352,4.1146885862283735,4.777042447083415,5.434129468481084,6.077563966479176,6.701767612995062,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_37,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1870488780521075,0.6809961565705474,1.640100902379512,3.1746571617323616,4.81571287771036,5.958697729564461,6.570896635729549,6.859099340053292,6.967496028541076,2.6054957663431915,0.5393792155906694,0.0287362234896575,7.942561179673656,2.9682470441817066,5.280684602680911,1.2380024818749344,6.0623734381918535,13.059265294012649,0.9396328139928062,13.579435950134306,0.9359446537588632,35.46242978853716,6.0623734381918535,13.059265294012649,0.9396328139928062,13.579435950134306,0.9359446537588632,35.46242978853716,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1751,2.005106860217552,2.500058656786928,3.049952007023071,3.639883900689493,4.256129776227866,4.887052460277887,5.523329908927251,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_38,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1212316672032377,0.7883784266238949,2.2862346142724896,4.344391748745925,6.235710665781218,7.473575304042526,8.122059759369208,8.424812530780011,8.538321038051645,3.6293214887576353,0.5766048079959714,0.0050646639699567,12.984408870783671,6.576858456997453,7.600995784992457,1.8627001866796289,1.177078444191172,2.4783564008073995,0.12691439038878,2.192393567301412,0.285835425686109,8.423680028731459,-0.0920654596966283,-0.3144607551807069,-0.12691439038878,-1.1073805828068686,0.196995352413963,-8.423680028731459,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.405955788679671,8.239006961768911,9.052405901011303,9.84393952386798,10.6111321064571,11.35142951221858,12.062497742671846,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_39,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0866425759246719,0.5246768623128893,1.6320794813214656,3.5993532374277737,5.646674630722942,7.030381297796696,7.76004749322347,8.101135699757535,8.229048522455017,2.87095909586434,0.3873644138225694,0.0039278668032081,11.883654442217784,3.7617319524635766,7.568833813134351,0.7873890139818794,1.9161955541622064,4.126451558200938,0.2957167774876498,4.281929774063404,0.2982380638128384,15.495313320564026,-1.0409722207142915,-2.380949903139089,-0.2957167774876498,-3.40670644061549,0.0912363195714837,-15.495313320564026,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,11.313707003427004,12.13516632233448,12.902864804951436,13.621432882347449,14.29439836536858,14.924550853746304,15.51423441485646,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_40,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2181410309567155,0.901532165063238,2.1795776141982994,4.1514267569908645,6.120041491160342,7.430091705296094,8.116309766684473,8.43615483558855,8.555957737445224,3.43642880100634,0.7094110020886853,0.023486913358375,12.859649449249469,5.970066677415828,7.60050592928822,1.7364622083043078,1.9318979598666823,4.251241919380548,0.3863795919733365,5.022934695653374,0.1352328571906676,17.387081638800144,-1.9318979598666823,-4.251241919380548,-0.3863795919733365,-5.022934695653374,-0.1352328571906676,-17.387081638800144,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.52326325301449,10.288121544391648,11.032174492915235,11.751499802472576,12.44260353374283,13.102820312193408,13.730410703849085,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_41,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1043096579948153,0.7087497487085768,2.0586495805989578,3.976415071171007,5.78660455015159,6.976173348678228,7.598514721119029,7.888698145058884,7.997425587372738,3.3008261830516763,0.5167122247471287,0.0040161686855086,11.370443550149975,5.119990030614117,6.946457301793067,1.5051069022062822,0.8187695573216183,1.7932632309885612,0.1555272638909339,2.062987668449089,0.0727388332126189,7.20439306442677,-0.7365030815877212,-1.6291950851086632,-0.1555272638909339,-1.9807211927151924,-0.0361302515110346,-7.20439306442677,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,8.463638920231189,9.267894768031107,10.05595624863942,10.824158741393529,11.568719318332702,12.28615522407562,12.973597585420878,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_42,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025721812216263,0.7322226148130169,2.2121163392625447,4.256080530084739,6.072765550343209,7.218249784415924,7.805223715382019,8.076363448291607,8.177561005440143,3.550529694580746,0.5274829171385457,0.0037312789933151,12.814353391177358,5.968302014352147,7.744671683608244,1.787406090922179,0.9833727950364296,2.153405011676572,0.1864341547566647,2.474846033089748,0.0880368536224647,8.645547070315443,-0.8809687525302178,-1.9491755095043088,-0.1864341547566647,-2.372441990583536,-0.0424670547072004,-8.645547070315443,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.957989958038128,8.725121701369495,9.48215603043051,10.225801469141691,10.952291901892767,11.657857672024324,12.33912064734951,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_43,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2180401018210169,0.9024650501969042,2.192110816615944,4.2040142122801525,6.215262662543148,7.550190703380137,8.248086054747922,8.573054901249469,8.694725353866735,3.473126647326244,0.7098359613239895,0.0234233722360761,13.210517995110774,6.096206271971557,7.759936616531077,1.7533607806271534,2.07647589038012,4.548149423463503,0.3946903827158918,5.233998952107253,0.1839873036268558,18.27618710621844,-1.8704279367787988,-4.137217687198708,-0.3946903827158918,-5.027950998505933,-0.0922959642742681,-18.27618710621844,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.543546018637654,10.303612671705,11.043230451906574,11.758599259704985,12.44626163414323,13.103539599475692,13.728655786580902,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_44,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.214732544132165,0.8972960449762414,2.232274729275161,4.362191124119628,6.484321459172149,7.888584401431363,8.622058209945962,8.963513501196616,9.09134858054361,3.588361078919452,0.7038146337531089,0.0229305842478865,13.727080961423898,6.586294734168079,7.68416698685802,1.7892214223258909,2.2277005848673963,4.885081662358101,0.4289648024052236,5.659419004109186,0.1870177557561965,19.717798972441454,-2.0619474391848414,-4.554511876266099,-0.4289648024052236,-5.493665858426631,-0.1132576059274598,-19.717798972441454,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.642080254946263,10.431185704762443,11.194642933914484,11.929311047284065,12.632322227394946,13.301514061437691,13.935563159510163,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_45,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1028768419627086,0.7342744643711161,2.228824128749244,4.344312719745962,6.27185484902112,7.5033274313449905,8.137972366388551,8.431835057557693,8.541618967015594,3.6068132160706265,0.5288387358784602,0.0037588200772501,13.489002684347271,6.168425264087808,8.105834424863929,1.807926654334268,0.9129219731407052,1.978623511493221,0.153187238106376,2.1384198779917134,0.1190242065981588,7.628354627831047,-0.6189504079230543,-1.3923413204013984,-0.153187238106376,-1.8444483127740623,0.0117931399236957,-7.628354627831047,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.9574368190789935,8.721933386552895,9.47636264282008,10.21754688777172,10.941795675504691,11.645384472381163,12.324955797221078,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_46,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2151478922424579,0.8943994698494493,2.1537733220524844,4.071447450923219,5.99498690989506,7.285653130028955,7.9652069512327985,8.282745915533045,8.401813848871766,3.3764279013421885,0.7032743345575106,0.0229793216466113,12.177668541707384,5.68131014927888,7.119992959987448,1.6831331440221498,2.121991859586404,4.663953291395543,0.4189666697989339,5.473725217977876,0.1587238716429482,18.9892926939107,-2.067674838402936,-4.555626140198294,-0.4189666697989339,-5.419408196794407,-0.1345527972163052,-18.9892926939107,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.61931658632808,10.403152761624815,11.163859004573473,11.896998892409018,12.599091278982716,13.267703436527563,13.901402938344724,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_47,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1021825717439872,0.7311892744596314,2.2612803997632818,4.528026454656409,6.659911235345182,8.044793279077345,8.764079879039672,9.09828589257886,9.223319527972942,3.7272405152782144,0.525999482109336,0.0037143217067927,14.666038884778157,6.730575594986601,8.51912767255835,1.8482382711802925,1.1900736176828512,2.603931472552507,0.2235750895982701,2.9786743344690128,0.1103794668721122,10.42186988037966,-1.04567727829985,-2.3159546331040186,-0.2235750895982701,-2.834277995086011,-0.0461230958466767,-10.42186988037966,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.936559378899826,8.708011016110762,9.470035630952983,10.218983477600244,10.950783596402829,11.661432277234807,12.347389801231325,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_48,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1198299150205742,0.7588314900762477,2.1515636129029616,4.173452668925723,6.160982882432776,7.507559952346703,8.223161790395373,8.559205787893195,8.685487778647857,3.452183274640658,0.5596025384125968,0.0050017901536191,12.468398077885288,6.038608485946952,7.214236295844518,1.5714481288950777,1.4231615558494333,3.007948203596203,0.1645628603872758,2.739664438947641,0.3247515291268555,10.407064986992683,-0.2224670480233254,-0.6133431119132046,-0.1645628603872758,-1.5389699311215326,0.2095575268557625,-10.407064986992683,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.873027355400545,8.770605047675906,9.64148580956047,10.482141278507015,11.289427559198106,12.060722206447512,12.79409507908319,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_49,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1580381110737507,0.7983524849714865,2.044935253679092,3.890305570152399,5.691392096866587,6.89084958313212,7.521946555694135,7.816945332203949,7.927590499234458,3.2298623345406647,0.6118828022690911,0.0100922214261897,10.131397581732832,5.377366732237563,5.85142257459778,1.4939972137643762,1.6364140482779592,3.2883572832493244,0.0168121943389479,1.7466553602816168,0.6921454697117823,8.452129237351414,1.482152815007295,2.948897417853096,-0.0140400523151849,1.3372597277066,0.6801967444429742,-8.35579730202565,50.0,125.3163,4.0,2.0,0.8900000000000001,139.0,-5.0,-11.00276,-1.0,-13.0,-1.6599999999999997,-45.0,RSM1751,6.859477303463322,7.651966006356732,8.43716429315824,9.209468123599546,9.964197907890863,10.697389984143848,11.4057671061735,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_50,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170394764520982,0.8945415296761584,2.1236777528793547,3.901061416091878,5.583858302168993,6.675692733914264,7.241666236225086,7.504338874760141,7.602559734181507,3.2706110041565504,0.7050039913233116,0.0233376407552779,11.302026507494563,5.33243934121247,6.796489470313952,1.6502066706864793,2.1573177779822266,4.71566054943757,0.400785481148307,5.363601627168682,0.2085336340490152,18.802298512877275,-1.850537033500843,-4.103832371681123,-0.400785481148307,-5.056820882687299,-0.0720162027547994,-18.802298512877275,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.41275241026986,10.195464839871716,10.95686396590738,11.691889287708406,12.39662791318855,13.068379066151191,13.705555116382683,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_51,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0966958082180106,0.6835968689448231,2.15954223004257,4.504762614703392,6.746195875287912,8.195618925005943,8.944860874875605,9.292097679097491,9.421860224470953,3.666006824763522,0.4936552663232957,0.0034037680324795,15.091978914508852,6.526838380932815,9.01184160084644,1.6426982965202104,0.942454240700484,2.0321579625648822,0.1479853227649314,2.1263368228199355,0.1419196569274688,7.671977658801049,-0.5373989869488307,-1.2243360172452726,-0.1479853227649314,-1.7212815690682823,0.0383299309920169,-7.671977658801049,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.15778989103599,8.021320851877444,8.87941939003319,9.722124835754933,10.54144628934279,11.331286323539524,12.087286320116435,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_52,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581071292069847,0.8207125762975452,1.9945919572887696,3.52104998988263,4.982076036811485,5.961087013871545,6.478446656401259,6.72076214745559,6.811721477206846,2.98409353884404,0.627250936355647,0.0103310680201613,7.930803689384848,4.330831333505554,4.650858925311467,1.4041178413652946,1.74750344657648,3.630139487929695,0.14064460019776,2.8726602481585606,0.5139304083557334,11.5504092368376,0.3410574445988791,0.5351819253858818,-0.14064460019776,-0.7840993569832015,0.4154791882173015,-11.5504092368376,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.542288554671883,8.321312514712325,9.085783148886872,9.831164596145817,10.55427521930754,11.2527405436072,11.92475295167723,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_53,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187094901515585,0.9166047665490544,2.179431225351924,3.975985001827531,5.749594288118695,6.9485932647598485,7.584362858257513,7.882570665890907,7.994577353220023,3.3332167222606257,0.7189334978095853,0.0235355086952756,11.325302620895876,5.494875661045562,6.712383794892603,1.718853217607058,2.149150583850379,4.729317615593119,0.4298301167700757,5.587791518010985,0.1504405408695263,19.342355254653405,-2.149150583850379,-4.729317615593119,-0.4298301167700757,-5.587791518010985,-0.1504405408695263,-19.342355254653405,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,10.00392338456657,10.743781137530483,11.460557453125464,12.151573839840156,12.814482928779611,13.447469788722348,14.049335944036056,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_54,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1559306047763101,0.7898439581798221,2.018324123572409,3.905643992833063,5.821861433833485,7.119791500047416,7.806658418891459,8.128380075848073,8.249137607151916,3.219069477214366,0.6058427289020076,0.0097723191930227,10.404602555322407,5.424622366572156,5.87098643475881,1.4440476325534983,1.601908081499493,3.2103910116155303,0.0151556524932032,1.723153301445119,0.6844322478425185,8.31265345736153,1.4503515565674607,2.876882997563297,-0.0151556524932032,1.3291063366218347,0.6738232910972761,-8.31265345736153,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,6.827388515175265,7.608642885058449,8.38400742296272,9.148700372686552,9.898327932576098,10.628850417121818,11.336703007439864,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_55,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1170512520891696,0.7478504602072379,2.169807138940288,4.37217489217554,6.505371958965688,7.895901927088013,8.616896860181319,8.95142568789918,9.07649332080577,3.5814179472668624,0.5510489836521588,0.0047649091801139,14.426709625781353,6.091479034973421,8.66682273787121,1.6583355139270943,1.5098711363475472,3.21957016405118,0.2020917966619623,3.126605509643245,0.2929705369334791,11.591191614976982,-0.5110468302720759,-1.2275649092295644,-0.2020917966619623,-2.1277812035677743,0.1515062792701056,-11.591191614976982,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.839719037279426,8.66676374591909,9.47211509866965,10.254585879072032,11.012121510794392,11.742317054082058,12.44289276417454,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_56,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1576253702294754,0.8360236826249483,2.1227190313371462,3.897226865001663,5.5563816878783285,6.63412733116663,7.193913858546835,7.454009652501976,7.551316408844474,3.273275260494118,0.6359642148736186,0.009754542179852,10.152060190748204,5.339696220799621,5.707661166712768,1.5908285934854585,1.6709188446194347,3.4165404071982284,0.0816126026240853,2.3238196656121177,0.5905352559354886,9.986846275578882,0.8547928183785819,1.6206126479018663,-0.0816126026240853,0.2018919973858992,0.533406434098629,-9.986846275578882,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.101678210122286,7.867196441644315,8.620694218836952,9.358883647387133,10.079096444784996,10.778919239771136,11.456149976966556,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_57,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0980411297592182,0.6979900151130927,2.117045614106859,4.227010926062978,6.262230857009424,7.609847026621371,8.316597154364075,8.64641641464222,8.770032476773276,3.475979597792863,0.5041724684230464,0.0034820775379452,13.491047080532567,5.629599682590791,8.357327115959952,1.59149359023617,0.6801123660365015,1.4809452253254602,0.1208166051935128,1.6466452075846043,0.0761188681484064,5.816893934052764,-0.5280536858986276,-1.1776869965924914,-0.1208166051935128,-1.4945865274467307,-0.0084527554870525,-5.816893934052764,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.8925216934552,8.698076589787531,9.492332800914228,10.270699659451726,11.02845638068585,11.761291616588512,12.465648145700094,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_58,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0982125439608792,0.690214000766398,2.1616520248943174,4.4279769041229216,6.5566730081013125,7.929903607931781,8.640532651169462,8.970190874279146,9.093443769521173,3.624872037811867,0.4987881868934465,0.0035066659854134,14.405886732721116,6.274776183915713,8.714511230133706,1.646080965186678,0.9522215287169944,2.071701799332152,0.1674462842604965,2.2917918028009665,0.1097767972906314,8.110033328794902,-0.7222413138879706,-1.6130407578878887,-0.1674462842604965,-2.0618115879719427,-0.0074356016917159,-8.110033328794902,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.181398714018589,8.034518053387442,8.882483841237939,9.715824130084792,10.52682335572643,11.30950232998742,12.059512562161771,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_59,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1542813587827013,0.7839933675011967,1.9344765778892845,3.650820274567459,5.443970152729443,6.684990367228829,7.348259694779729,7.660233065838969,7.777529263106677,3.022100131852021,0.6024363208828817,0.0095744722681127,9.704765694023218,4.465950232209982,5.737383041545407,1.293336973984365,1.750064299191802,3.6176759059442807,0.1236022646250863,2.7388824161924927,0.5470243669683151,11.222366788460738,0.5140416529409387,0.8977437996916507,-0.1236022646250863,-0.474776464059752,0.4605027817307547,-11.222366788460738,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,6.920672739332453,7.700933417799543,8.478663192025492,9.247241400443947,10.001099198649664,10.735491944708516,11.446475899236386,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_60,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1173588204951883,0.7502919895032618,2.202329686634528,4.5095663625839935,6.7780204880893375,8.268558709238993,9.044507523029385,9.40520137236389,9.540156353803791,3.6758524647940094,0.5524435427623963,0.0047924598684893,15.28149227286221,6.58146036729864,9.005105028314006,1.714438250232876,1.361133206808563,2.882364407628076,0.1627417742111307,2.663067400497609,0.3005634503839403,10.060501518265433,-0.2662845353027447,-0.6988529596104469,-0.1627417742111307,-1.5682187289917908,0.1866442084361489,-10.060501518265433,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.7421210875436275,8.57258582038287,9.38135786138986,10.167299138685982,10.928368951181318,11.662149044195516,12.36633008862692,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_61,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1560418740903727,0.8297863538061561,2.0574694959967696,3.64525618689637,5.108019428770346,6.064866680291391,6.565077207475586,6.7982867819369615,6.885665716068944,3.0937152751081984,0.631724751960986,0.0095562787882369,8.758619951385269,4.6820799981818215,5.102585684700932,1.5018797417445795,1.8300247524874147,3.807423932380155,0.1529704534940295,3.0537883804396504,0.5275414145555941,12.209532832317665,0.3003202175471191,0.4412295586082171,-0.1529704534940295,-0.9234434104051176,0.4204620971097736,-12.209532832317665,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.080608797009572,7.845147814886333,8.601565836985642,9.345067592102652,10.071824504882938,10.77859071604669,11.46260708545758,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_62,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2201422022569832,0.922594530596488,2.2174411492056603,4.1182180718919605,6.013470191531576,7.292420467652864,7.968919874616536,8.285793331054995,8.404737095310116,3.4335219388611664,0.7231896103212373,0.0237685756265885,12.21783570759064,5.868365160170712,7.174380608587569,1.784978879795193,1.7635140560767937,3.870384145999856,0.3426929789847848,4.505057887955071,0.1422144193577015,15.671429860079664,-1.6634157337710542,-3.670753056909405,-0.3426929789847848,-4.4049595656493326,-0.0976706659316476,-15.671429860079664,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.915908871647748,10.663002597389902,11.384850061175566,12.07940299469384,12.74481239557094,13.379639811676402,13.98295850921067,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_63,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1565121463164011,0.8321922545152304,2.1968624941387573,4.2613112790514025,6.294562933625342,7.64411385959599,8.351240879246882,8.680991247966757,8.80453699520756,3.5179208078516564,0.6313328228019703,0.0096428704799574,12.27998641167886,6.365578408932599,6.690386367432343,1.6965495017604633,2.153383928566327,4.522623790710185,0.2211642494000356,3.922697923766612,0.5435728805869485,15.190204630832348,-0.0582585654340301,-0.3442105227472889,-0.2211642494000356,-1.827572560634316,0.3887579060069236,-15.190204630832348,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,6.982747427421033,7.757095821350547,8.523489213479541,9.2767215400731,10.012693357146462,10.727994527804125,11.4197801422637,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_64,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1522312854181314,0.7642769363750807,1.807998011223752,3.326279005173735,4.900396856995567,5.983093755036457,6.55993775650602,6.830890251104185,6.9327070097543055,2.771378825184616,0.5912993060407299,0.0092583664134965,7.833901173301172,3.962426878601213,4.459049830827225,1.1498593789487908,2.9609019635449334,6.655961989552484,0.1655182456838966,2.3936864681575742,0.6535700699396436,12.954159888202888,2.386497484339414,5.391955064027818,0.0506373498427927,0.2517680356431557,0.5236571842516813,-5.442752943650434,50.0,125.3163,4.0,2.0,0.8900000000000001,139.0,-5.0,-11.00276,-1.0,-13.0,-1.6599999999999997,-45.0,RSM1751,6.900323874420611,7.663915212754323,8.431825489406299,9.196053065535764,9.949641346689305,10.686625256918878,11.402067845436628,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_65,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.098352062230202,0.6992082291436316,2.121930245833154,4.220603152642764,6.190234615086096,7.465322772838217,8.126078389012555,8.432738997912166,8.547410741058666,3.479306665551108,0.5052349380538241,0.0034915074530654,13.183426547359316,5.731013321750414,7.998773913809858,1.6053648728820296,0.6322924230445925,1.3584143377952296,0.0944723561325752,1.388071272105194,0.1042344605062651,5.050909237874467,-0.3124311382811593,-0.7204989845272765,-0.0944723561325752,-1.0682099873417603,0.0381038112134626,-5.050909237874467,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.882439845965541,8.685694436531447,9.478177060162446,10.25523724831594,11.012091570989028,11.744365380779746,12.448440805831256,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_66,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.220721358328121,0.9208188716687788,2.1983502217625666,4.048443074616604,5.888104833476021,7.13101473074152,7.789048904847447,8.097407593627743,8.21317632111049,3.3835923199536664,0.7225006147312956,0.0240026254016326,11.807413827420998,5.601241566422832,7.080068259805977,1.7547406362111435,1.7767843420430864,3.877321147392893,0.3237517529793738,4.366798365878077,0.1836344953728472,15.358956769802909,-1.4607331877506526,-3.2470045278297786,-0.3237517529793738,-4.050747211585644,-0.0429917317127142,-15.358956769802909,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.7036285181313,10.46928238763596,11.208900945116453,11.9198023483505,12.59997661220102,13.248029517953809,13.863158014648716,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_67,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2201130573218308,0.9187836004548876,2.2129963752291726,4.17682806295907,6.197278081580159,7.579924360404989,8.31509794300436,8.660140578291427,8.789756804111938,3.460216581577264,0.7206576025376636,0.0240079964781529,12.475018770827976,5.843652012921112,7.547035001708972,1.792507705749222,1.7870374956208228,3.932468935063393,0.3574074991241646,4.646297488614139,0.1250926246934574,16.083337460587405,-1.7870374956208228,-3.932468935063393,-0.3574074991241646,-4.646297488614139,-0.1250926246934574,-16.083337460587405,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.697059839360875,10.467018318283309,11.210174939757843,11.924220518724924,12.607277930925669,13.257975219317832,13.875491398559488,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_68,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2214877003144393,0.9399659275466214,2.2145555581748995,3.952467785587209,5.699365633397447,6.909241644685787,7.559229983753928,7.86592957964152,7.98141108505231,3.33080098431794,0.7349533827833277,0.0237494462425011,10.876765738805313,5.458203138299941,6.577253129986532,1.7986966271436369,1.750468298064244,3.840341752711376,0.3387894418744245,4.46078383305964,0.1437281891240424,15.528130327809713,-1.6374261206800016,-3.614896086245112,-0.3387894418744245,-4.347741655675399,-0.0934244201880545,-15.528130327809713,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.98093808579509,10.734985542486363,11.45816062856732,12.14951556659444,12.808601417352136,13.4352532622089,14.029545867086195,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_69,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179430543744709,0.9329250506076894,2.2123620937723456,3.978119649606608,5.75453914645784,6.979358698206317,7.635265124624298,7.944256997395913,8.060520332828478,3.345071102135889,0.7284073378844614,0.0230386796936723,10.47056415226356,5.53646187665046,6.237748318922786,1.8166712131087208,1.962801139040764,4.319245972118432,0.3925602278081528,5.103282961505986,0.1373960797328533,17.665210251366876,-1.962801139040764,-4.319245972118432,-0.3925602278081528,-5.103282961505986,-0.1373960797328533,-17.665210251366876,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.972940635758182,10.742302396130412,11.47854366329497,12.181023552316004,12.849498512779071,13.483964998154288,14.084645885595544,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_70,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.121241042910531,0.7883931391871274,2.2862212892055824,4.3443644210175725,6.235692137764535,7.473567125393604,8.122057626389884,8.424813302867477,8.538322909129493,3.629295198776813,0.5766214480647232,0.0050654729962016,12.98428032548643,6.576752918683196,7.600917936837133,1.8626778178685823,1.1769187021595138,2.477998108637923,0.1268758741293455,2.191925695194278,0.2858365584684607,8.42211099338448,-0.0918400391339414,-0.3139714770328727,-0.1268758741293455,-1.1068470321687058,0.1970234465779189,-8.42211099338448,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.405963734861311,8.239012772037,9.052410071307568,9.84394250449892,10.611134265707795,11.351431132677408,12.062499031376854,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_71,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0866463673032144,0.5246918274289684,1.6321126129069536,3.599397540143817,5.646720959385962,7.030426129005519,7.760090857452687,8.101178240428476,8.22909073312881,2.871000831876408,0.3873760564473145,0.003928199849986,11.883969598692596,3.761803901568192,7.569041411300534,0.7873898428872788,1.9161110370544905,4.126254545195387,0.295689177064979,4.281624453574324,0.2982522044924124,15.494338726572032,-1.0407807335953,-2.380539554491551,-0.295689177064979,-3.4062941501151327,0.0912697805469273,-15.494338726572032,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,11.313621821628429,12.135077806508324,12.902773902600622,13.62134071612449,14.29430607651302,14.924459482246087,15.514144832480778,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_72,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2180981092768034,0.9014502495961048,2.179509063421685,4.15139518243439,6.120053191898176,7.430134171755555,8.116368611680455,8.436221339512104,8.556027111804559,3.436382995362395,0.70933291411626,0.0234790000559331,12.859750951072307,5.969850604462321,7.600648592416398,1.7363457570933067,1.931883438893971,4.251209965225007,0.3863766877787943,5.0228969411243245,0.1352318407225778,17.38695095004574,-1.931883438893971,-4.251209965225007,-0.3863766877787943,-5.0228969411243245,-0.1352318407225778,-17.38695095004574,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.52332214728978,10.288174907835865,11.032223890862872,11.751546393986873,12.44264812793018,13.102863442740675,13.730452700984218,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_73,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1043320444719493,0.7088149131255653,2.0587383728807,3.976486793816497,5.786637587861261,6.976176762280512,7.598502091763745,7.88867796595413,7.997402571522045,3.3009081569872123,0.5167689535708951,0.0040179382283674,11.37061709286258,5.12025619979698,6.946468162377763,1.5052146552266703,0.8186213377506942,1.7929352264983722,0.1554958356905124,2.062588023274793,0.0727318033793481,7.20302340256372,-0.7363370191544298,-1.6288314957059122,-0.1554958356905124,-1.9803037046785288,-0.0361152816040104,-7.20302340256372,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,8.463529458109486,9.267743194636742,10.055765187361509,10.823933154663006,11.56846529203272,12.285879075953872,12.973305298843004,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_74,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025871397640324,0.7322672826005829,2.212165459841531,4.256122976523395,6.072802109988333,7.218283484137832,7.805256316340037,8.076395636089305,8.177593054980544,3.550574608228531,0.5275228254061217,0.0037321610213245,12.814282988145994,5.9684777592279685,7.744594511609516,1.7874933333406926,0.9828750036038352,2.152306763050885,0.1863318489768051,2.4735297954182767,0.0880071597721969,8.64101199755528,-0.8804434861642165,-1.9480224662451808,-0.1863318489768051,-2.371098277978658,-0.0424251345115665,-8.64101199755528,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.95799098033957,8.725124687935908,9.482161358596183,10.225809324727352,10.952302293846158,11.65787047146477,12.339135631845254,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_75,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2180383564159164,0.9024653144073748,2.192092290339412,4.20395334751349,6.215165525475713,7.550075385190798,8.247963152060736,8.572928906672617,8.694598272435671,3.473081077354046,0.7098367601348374,0.0234217867412217,13.210067808807771,6.096026396542021,7.759692631722309,1.753330998693984,2.076637994157565,4.548505188613682,0.3947218794827806,5.23441303001981,0.1840003833699026,18.277627560443435,-1.870580800670241,-4.137555024782237,-0.3947218794827806,-5.028355836532485,-0.0923049322680435,-18.277627560443435,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.543621009409602,10.30367486084685,11.04328144021842,11.758640562471056,12.446294637724073,13.103565544997176,13.72867576810742,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_76,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2146983892032996,0.8973076202258767,2.23230483847102,4.36220882794917,6.484331237373395,7.888592094300286,8.62206560568965,8.96352091946848,9.09135603184112,3.5883832780177247,0.703815101117057,0.0229122285626888,13.727115648768446,6.586292764806882,7.684192531581439,1.7892176141821383,2.227586165704515,4.8848268126065095,0.4289389463086779,5.659097736173939,0.1870153194097379,19.716709754696137,-2.0618032973822644,-4.554197749168028,-0.4289389463086779,-5.493314867851688,-0.1132419430063363,-19.716709754696137,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.642132652449671,10.431228437329128,11.1946757277915,11.929334161953568,12.632336319527155,13.301520033405492,13.935562030154236,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_77,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1028548352907731,0.7342160314805418,2.228761282196353,4.344250771939778,6.271791597682547,7.503263898825748,8.137908959725506,8.431771773348858,8.541555738869434,3.60675155194962,0.5287859085694381,0.0037570068959059,13.488868514107946,6.168159735369353,8.105843332083182,1.807834435194774,0.9129760818513744,1.978743176277524,0.1531986376826942,2.138565183312928,0.1190269107688099,7.628853162910757,-0.6190102949755676,-1.392472509221758,-0.1531986376826942,-1.8445993964371208,0.0117878643909241,-7.628853162910757,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.957455284048954,8.721952703771771,9.476382003505863,10.217565700334603,10.941813530876995,11.645401110874271,12.324971076578384,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_78,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2151350976169384,0.8943782304892314,2.1537787994240425,4.07145581299508,5.994967047257217,7.28560887478434,7.9651493008004595,8.282681962351873,8.401747530109404,3.376440793462906,0.7032520074526154,0.0229772600067081,12.177663385034965,5.681319452991991,7.119941134002263,1.6831407850051123,2.1219919293896314,4.663957218136138,0.4189703434088199,5.473754676660191,0.1587170146868484,18.989366515124555,-2.067711504698568,-4.5557030531535165,-0.4189703434088199,-5.419474251969128,-0.1345622256993252,-18.989366515124555,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.619256972635888,10.403082581046208,11.163779194876977,11.89691099079445,12.598997077427027,13.267604735625396,13.901301397446677,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_79,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1021656685401808,0.7311368804189354,2.2612364407270364,4.528013710948019,6.659926381238581,8.04482685268821,8.76412321832112,9.09833381704746,9.223369175588209,3.72721705489939,0.5259525964053878,0.0037132604382214,14.666190860564845,6.730414115046519,8.519274211463323,1.8481520066857635,1.1901602592708365,2.604117655849508,0.2235880765198346,2.978864871429513,0.1103936719008323,10.422562826750877,-1.0457205059275094,-2.316054233769244,-0.2235880765198346,-2.834425118086186,-0.0461179816630517,-10.422562826750877,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.936532501934394,8.707973056964335,9.469988231896163,10.218928517324755,10.950722963835922,11.661367716311192,12.347322827275494,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_80,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1198256730265654,0.758831664370722,2.151603542436568,4.173505598263149,6.161016795195316,7.507574761190845,8.22316566182771,8.559204429616134,8.685484445085336,3.452237189538766,0.5595983330421478,0.0050014599482908,12.468596976484502,6.038741468124506,7.214337101620712,1.5714985820614265,1.4231906540711794,3.0080247975372605,0.1645808639978311,2.739837566053828,0.3247307210657415,10.40757055031252,-0.2226179859071315,-0.6136626967842918,-0.1645808639978311,-1.5392648978897805,0.2095241162672598,-10.40757055031252,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.872966290810311,8.770511187224711,9.64136297531969,10.481994079723886,11.2892608353352,12.06054061592438,12.793902847085638,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_81,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.158053032116929,0.7983686473276254,2.044934022009543,3.8902899258040815,5.691376864042619,6.890839829349508,7.521940898067008,7.8169418314507215,7.927587844282665,3.229849798467836,0.6119007911433917,0.010094907796166,10.131336863118255,5.377363280020701,5.851393599557223,1.494029365999853,1.6363381175011045,3.288150907961396,0.0168084708212892,1.746716221252706,0.692149812550975,8.452129638240248,1.482018930898905,2.9485635132455514,-0.0140553664991506,1.3372270231205712,0.6802049311951335,-8.356459263045934,50.0,125.3163,4.0,2.0,0.8900000000000001,139.0,-5.0,-11.00276,-1.0,-13.0,-1.6599999999999997,-45.0,RSM1751,6.85947672732671,7.651959491845116,8.43715298202795,9.209453076728694,9.964180070132818,10.697370169075633,11.405745994379108,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_82,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170383889704416,0.8945395228063233,2.1236702377255865,3.901040002466431,5.583811284858102,6.67562499820481,7.241586949637756,7.504254083782478,7.602472864483482,3.270596269268057,0.7050028945698779,0.0233368816632501,11.301863593854112,5.332373317238852,6.796393676448029,1.6501820399501683,2.15747086587104,4.715996033797103,0.4008147471384305,5.363988842978484,0.2085468844280555,18.803649272123813,-1.850676605513265,-4.104140900652573,-0.4008147471384305,-5.057194582620709,-0.0720234385688455,-18.803649272123813,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.412810699397753,10.195513381272152,10.956904004053618,11.691921978364784,12.396654303382258,13.068400089208096,13.70557159408555,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_83,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.096675496227755,0.6835531609470659,2.159551851537213,4.504806852994516,6.746232597199892,8.195642083972539,8.9448756437006,9.29210834269334,9.421869324790206,3.66604596450266,0.4936103958394034,0.0034023635851581,15.0921939364384,6.526947712380104,9.011897573758263,1.642706515358806,0.9425382466089384,2.032336675100484,0.1479961619925582,2.126507542549404,0.1419367160049308,7.672614472895858,-0.5374233733166442,-1.224395827549997,-0.1479961619925582,-1.72139266925711,0.0383394026101401,-7.672614472895858,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.157759070792624,8.021290513717108,8.879389883889159,9.722096348869396,10.541418907015531,11.33126007068041,12.087261187610872,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_84,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581318430176379,0.8207503486892204,1.9946293544365583,3.521055868256373,4.98204121869234,5.961025834277637,6.478372247011546,6.720681721666192,6.811638822849352,2.984113149077032,0.6272871383132623,0.0103364435102776,7.93082572167121,4.330921384086594,4.650816732033314,1.4041666897945302,1.747848457883287,3.6309160092183626,0.1407303879097483,2.873691561161273,0.5139230864272846,11.5538500476114,0.3405445787858035,0.5340706434626376,-0.1407303879097483,-0.7852985244921832,0.4154118148904608,-11.5538500476114,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.542262149233415,8.32128164910199,9.085747009946498,9.83112307234135,10.5542286497294,11.252689524387208,11.92469819896568,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_85,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187193777845043,0.9166409291562714,2.1795076976390506,3.976075475503804,5.749674509726101,6.948662331720072,7.584425495450455,7.882630224452454,7.99463574843374,3.3333066475915007,0.7189623047292901,0.0235363014284564,11.325651819944191,5.495152103215624,6.7125831768770885,1.718987502555868,2.148912103611787,4.7287928274271245,0.4297824207223573,5.587171469390645,0.1504238472528249,19.34020893250608,-2.148912103611787,-4.7287928274271245,-0.4297824207223573,-5.587171469390645,-0.1504238472528249,-19.34020893250608,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,10.003945173387322,10.743801110768231,11.460575414493176,12.15158973157369,12.814496791214214,13.447481728006542,14.049346106590075,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_86,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1559446492233716,0.7898573941049563,2.018315646586717,3.905625435309486,5.821833696020225,7.119754300131675,7.806615138625699,8.128333708450608,8.249090043113245,3.2190534672065407,0.6058593176509458,0.0097748062319914,10.404570025671934,5.4246030553716125,5.870955360528687,1.444022979123506,1.601850117571212,3.210247990849653,0.0151290568195324,1.7228825721274714,0.6844563207825659,8.311831724246709,1.4505595493758874,2.877325228426295,-0.0151290568195324,1.3295270948196278,0.6738659810088934,-8.311831724246709,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,6.827372866298802,7.608625026219799,8.38398822228236,9.14868039893611,9.898307567606931,10.628829925569711,11.336682578706965,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_87,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1170563459438224,0.7478675243997377,2.169834361355241,4.372207275521353,6.5053941328562255,7.8959107871963905,8.61689716813808,8.95142169316992,9.076487666336806,3.5814503238111457,0.5510635043570733,0.0047653063138145,14.426856939138888,6.091595369874359,8.666914744714655,1.6583653616895362,1.5100166454725643,3.2198897640250466,0.202120316123838,3.1269791744632687,0.2929818145030948,11.592489549839582,-0.511186515765816,-1.227872894844393,-0.202120316123838,-2.12814904475652,0.1514975932164083,-11.592489549839582,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.839725432605807,8.66676990251633,9.472120728801192,10.25459082755838,11.012125713189272,11.742320505782192,12.442895498103267,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_88,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1576150062046705,0.8360290851988891,2.122747195771015,3.897286453835996,5.556479099414626,6.634251446594493,7.194052137224865,7.454154548047327,7.55146378382134,3.273322505290758,0.635964423778905,0.009751106265886,10.152301763277087,5.339777456408838,5.707781931022217,1.5908470878477214,1.6707779351432397,3.4162272048200726,0.0815813909342802,2.323429062617482,0.5905310731369663,9.985517494401805,0.8549640258004371,1.6209862749879491,-0.0815813909342802,0.2023128983261949,0.5334240994829701,-9.985517494401805,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.101667873812791,7.867189223220223,8.62068956827557,9.35888123067733,10.079096035279266,10.778920657020285,11.45615305570951,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_89,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0980549414178124,0.6980184913334726,2.1170734478953963,4.227064618660669,6.26231271968172,7.609943873846497,8.316700477460662,8.646522436850548,8.770139458451052,3.476022429340556,0.5042004717792145,0.0034832010070226,13.491459904722712,5.629734902381319,8.357621234046329,1.591535077066349,0.6800642246659347,1.4808384202528135,0.1208061355275958,1.6465133088867012,0.0761170758620988,5.81644383388159,-0.5279971306100232,-1.1775634112224065,-0.1208061355275958,-1.4944462148307895,-0.0084472190072181,-5.81644383388159,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.892541933053804,8.698099686531666,9.492358834201683,10.270728483610464,11.028487697158884,11.761325039065754,12.465683251753138,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_90,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0982172061870088,0.6902219154615382,2.1616725480469627,4.428023181703727,6.556744649930337,7.929991078505757,8.640628020128338,8.970289829726399,9.09354405272013,3.6249088377431766,0.4987952632698994,0.0035073059909294,14.406291296334766,6.274894196193434,8.714783723515032,1.6461112489143483,0.9521993700341604,2.071655571217165,0.1674443095503799,2.2917538464372003,0.1097706392582388,8.109883041178401,-0.7222437254696397,-1.6130435314799123,-0.1674443095503799,-2.061798201872679,-0.007440377427027,-8.109883041178401,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.181395907497181,8.03451263718999,8.882476573656538,9.715815630298444,10.52681411288935,11.30949271837375,12.0595028592683,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_91,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1543064076925634,0.7840398250435685,1.9345119642969613,3.650833254294683,5.443978148382705,6.68500382158878,7.348278321315209,7.660254587033513,7.777551943489727,3.022119427193708,0.6024808609110857,0.0095781649650543,9.70473259482811,4.466037727437231,5.7373635451391305,1.2933764620754689,1.7499975230023803,3.6175238538062144,0.1235839553509837,2.7386691658102498,0.5470289814529647,11.221666722031577,0.5141579694925432,0.8979946526510355,-0.1235839553509837,-0.4745136733153263,0.4605202127072763,-11.221666722031577,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,6.920709708899869,7.700968639072081,8.478696831424594,9.247273455991577,10.001129612388144,10.73552065978313,11.4465028844661,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_92,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1173980579928608,0.7503894808888059,2.2024124491011454,4.509605936812656,6.778026741151392,8.268547081163815,9.0444876375105,9.405177871439223,9.540131535007166,3.6759065348612254,0.5525338286342615,0.0047957022194184,15.281394911360348,6.58171224097211,9.004921427567675,1.7145698092911812,1.3610154054126256,2.88211408680058,0.1627268532952262,2.6628302317744343,0.3005390054800692,10.059614092967651,-0.2662531275396362,-0.6987749379245849,-0.1627268532952262,-1.5680679539014457,0.1866302081734109,-10.059614092967651,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.742083141155469,8.572541343067122,9.38130872001314,10.167246860048651,10.928314777179605,11.662093970539711,12.366274898619045,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_93,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1560681343600329,0.8298604409545124,2.057564928671713,3.6453392037675663,5.108076806114823,6.0649050940462415,6.565105543260761,6.798310421284854,6.885687598504662,3.09380542958365,0.6317898767744501,0.0095585376979513,8.758820358695578,4.682355466505452,5.1026945585085,1.5020262130956936,1.829978812549104,3.807312774826829,0.1529515038840777,3.0535908436217256,0.5275565018017055,12.208924140427074,0.3004637737083265,0.4415353970756775,-0.1529515038840777,-0.9231482573642956,0.4204904490828511,-12.208924140427074,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.080614982596178,7.845159865988733,8.601581228022159,9.345084553507704,10.071841824263691,10.778607590119805,11.462623008074774,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_94,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2201046536891439,0.9225733742680686,2.217466455400745,4.118283393526182,6.013555235122019,7.292516296577128,7.969021431943899,8.285897632414061,8.404842439583465,3.433576649350967,0.7231619772748727,0.0237528985823343,12.21812154957067,5.868518268661383,7.17443823592045,1.7849869130869809,1.7632181681458272,3.869733337391676,0.3426341002997501,4.5042909705438285,0.1421931467628613,15.668772846724142,-1.663122834851675,-3.670108209436483,-0.3426341002997501,-4.404195637249677,-0.0976507234469635,-15.668772846724142,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.9159124062517,10.66301009552013,11.38486112008521,12.079417084875525,12.74482894874978,13.379658276889872,13.982978384387572,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_95,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1565431751251525,0.8322259473406535,2.196856442322138,4.261272467304272,6.294508257409275,7.644051826387202,8.351175472125512,8.680924341504003,8.804469536834043,3.5178907594318867,0.6313708538201316,0.009648940512724,12.279651158636414,6.365531359318976,6.690251270182326,1.696565079110125,2.153388250483447,4.522631549168977,0.2211634143386723,3.9226955651928255,0.5435763695801233,15.19020953919068,-0.058245892903276,-0.3441843883289633,-0.2211634143386723,-1.8275532076126544,0.3887619795430528,-15.19020953919068,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,6.98276046408283,7.757110266738451,8.523502728232385,9.276732602851084,10.01270108861249,10.727998522696089,11.41978032631478,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_96,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1522283070448781,0.7642517902386939,1.8079552534523005,3.3262432861124385,4.900371615246799,5.9830728382720295,6.559918101278291,6.830870949483141,6.932687802738945,2.7713390470453003,0.5912798730028369,0.0092587478266365,7.833787457385434,3.962349515561642,4.458975960829886,1.1498397706594006,2.9607982780961137,6.655690345683137,0.1655033285013085,2.393624729104308,0.6535820597133919,12.953783191829109,2.386450808512899,5.391808872796856,0.0506338345846656,0.2519098189300272,0.5236808141618875,-5.443016774591504,50.0,125.3163,4.0,2.0,0.8900000000000001,139.0,-5.0,-11.00276,-1.0,-13.0,-1.6599999999999997,-45.0,RSM1751,6.9003389914969455,7.663931197046678,8.431842090366102,9.19607006117419,9.949658550130524,10.686642513979328,11.40208503010878,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_97,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0983619762475854,0.6992251146113907,2.1219377992442423,4.22059766049024,6.190218598419978,7.465300357558062,8.126052779914794,8.432711936283217,8.547383141251654,3.479305439073918,0.5052517818069464,0.0034927373147526,13.183350106809398,5.7310142815138185,7.998668600439262,1.6053491796106962,0.632346271491561,1.3585435909769152,0.0944935591582239,1.3882947447573528,0.1042186673920748,5.051602540622284,-0.3125893200906782,-0.7208363149505647,-0.0944935591582239,-1.0685377933564697,0.0380731759813181,-5.051602540622284,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,7.882419490944894,8.685678852196991,9.478166078133366,10.255230505176874,11.012088599689152,11.744365674968895,12.448443862773557,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_98,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2206891820696642,0.9207821916488632,2.19830176877953,4.048387290416555,5.888051436781016,7.130965050735702,7.789001436768462,8.097361183567854,8.2131303096022,3.383537585296981,0.7224650146142736,0.0239906115887511,11.80720761871389,5.601057550532587,7.07992554904386,1.754637813556691,1.7767600023612524,3.8772662563146927,0.323745594713464,4.366724760068964,0.1836352109630123,15.35871190607554,-1.4606959447733874,-3.2469239030643333,-0.323745594713464,-4.0506607024811,-0.0429867053364122,-15.35871190607554,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.703670800632022,10.469318356231508,11.20893195805806,11.91982937322033,12.600000356350217,13.248050513645174,13.86317667410063,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_99,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2200674705538952,0.9187428786458705,2.2130332255410874,4.176913387015004,6.197365029332179,7.580002046180038,8.315169040602154,8.660208318977345,8.789823247861857,3.460292509959096,0.7206077531791392,0.0239947961906018,12.475463465258915,5.843843018586131,7.547283018323008,1.7925595347184895,1.786781270770511,3.93190509895659,0.3573562541541022,4.645631304003329,0.1250746889539356,16.081031436934598,-1.786781270770511,-3.93190509895659,-0.3573562541541022,-4.645631304003329,-0.1250746889539356,-16.081031436934598,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.69709922284694,10.46705488070796,11.21020905937132,11.924252483258746,12.607307965929037,13.25800350617345,13.875518086481678,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_100,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2214240806656049,0.9398435119748744,2.2144280991623413,3.952350951849314,5.699256389808437,6.90913779397945,7.559129305776811,7.865830476799926,7.981312588658762,3.330680877318655,0.734839123117074,0.0237363523562411,10.876506633682396,5.4577580463894,6.577188229667727,1.798490645667893,1.750644703222164,3.840728744557711,0.3388235620280974,4.461233199446943,0.1437427141311802,15.529694756672766,-1.6375909170588103,-3.6152599261228255,-0.3388235620280974,-4.34817941328359,-0.0934337792884877,-15.529694756672766,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.980945471911996,10.734991973330176,11.45816477953234,12.149516750946644,12.808599396945592,13.435248092733058,14.029537782113156,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_101,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.218008428898567,0.9330183413822464,2.212425095882303,3.9781343693946623,5.754520593542088,6.979323645274722,7.635222797750278,7.94421156053506,8.060473774251019,3.345101312187833,0.7285000320253647,0.0230564318157089,10.470487063753026,5.5366170830469565,6.237678471324776,1.8167739239919585,1.9628417637881448,4.31933536898753,0.3925683527576289,5.103388585849177,0.13739892346517,17.665575874093307,-1.9628417637881448,-4.31933536898753,-0.3925683527576289,-5.103388585849177,-0.13739892346517,-17.665575874093307,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1751,9.973003133087762,10.742357155144669,11.478591448046616,12.18106514048878,12.849534648850977,13.483996369369024,14.084673111786827,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_102,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2080754555213581,0.7430079017423444,1.840990238146756,3.8096154883002775,5.8986341013391215,7.320413489690101,8.072020997821696,8.423708853233906,8.555647362659302,3.074167814907061,0.594997884739374,0.0272231712896205,11.329449542642992,4.64246439241313,6.698200510183897,1.0333805598040964,5.365352813918483,11.40648651418322,0.6848576926944373,10.844214355473984,1.1034738283916554,26.82676406959242,-5.365352813918483,-11.40648651418322,-0.6848576926944373,-10.844214355473984,-1.1034738283916554,-21.11327441901819,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1751,14.663145963598051,15.405429112844132,16.075185459260897,16.68242203829612,17.234943846097202,17.73903481079715,18.199906509605,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_103,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0752282865371241,0.3828700870783547,1.3940730694890469,3.415698246595309,5.523549120599791,6.931764981946955,7.669259649377439,8.012901969056033,8.141599575960377,2.6613691885375848,0.2816315419230681,0.0058107764557202,10.55830222080837,3.3085460272513765,6.37129915318005,0.3886348552646042,10.062940044523566,23.743618749596926,1.0344322629586995,10.322776020248169,1.1648616712039417,39.26285759166337,1.596146687032791,5.726568986477596,-0.0628417019956698,-10.322776020248169,-1.1648616712039417,0.8582688182604352,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.755325028052368,16.43619444079051,17.041169512926885,17.58284400776063,18.071150511532423,18.51391016082996,18.91730530033589,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_104,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3777729780289378,0.9392290936472696,1.6278630895004658,2.823941389954206,4.162372175030361,5.089192151698173,5.5814056425600285,5.812028271630675,5.898585568787035,2.366373778039024,0.8138350496592313,0.073892717868442,4.8913059561506085,2.6485026513288825,2.6718666329422445,0.6358128216837708,17.050237743217053,41.74977759705061,1.628122820696703,11.428974532961504,1.3393370262490891,59.54197105547232,10.07157429435266,26.8048966148128,0.6320281824341064,-11.428974532961504,-1.3393370262490891,24.67865871628143,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,19.58388741107081,20.12569984975266,20.560970355427905,20.916563276425595,21.21160527285377,21.45993115441366,21.67169891082161,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_105,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0760856733209221,0.3608112787080428,1.1124698607313084,2.426196270209416,3.732638903781112,4.594916707448077,5.045234589674298,5.254919771071345,5.33343419011875,1.9479918263853244,0.2725726760180562,0.0059712122564623,6.450763670366256,1.4626032358664247,4.254551697243991,0.1425357418004859,9.76821778976171,23.231007939194686,0.9440715857010734,8.787823124664463,1.1144823790653122,37.07593699556263,2.6433710839922324,8.141248107456752,0.0902274871117552,-8.787823124664463,-1.1144823790653122,7.191393544936493,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.77238131042116,16.441659254769426,17.038017985823917,17.572976059631454,18.055881284657627,18.494230526871352,18.894016457476003,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_106,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2268298662217316,0.7594601064853805,1.7580085119325068,3.437144274956941,5.203891411031535,6.410000543745963,7.049229791383397,7.348724873162296,7.461146321100507,2.814413182103994,0.6151146003718472,0.0340133496109409,9.2969265096464,3.5984618489788165,5.800425109901125,0.935345392176562,4.6774373910612015,9.885213670872655,0.5400203780853218,8.997600415743776,1.0689214301122565,23.38718695530601,-4.6774373910612015,-9.885213670872655,-0.5400203780853218,-8.997600415743776,-1.0689214301122565,-14.414239510666512,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1751,14.97649675427924,15.710158470445103,16.37124616674934,16.96929971704944,17.511860489192507,18.005113881758295,18.45429701276913,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_107,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2387160330804577,0.803713164194298,1.95568926906672,3.850373087350865,5.774727010273892,7.066235506273136,7.745708243097708,8.063057621870028,8.182028445868315,3.157773139637227,0.6453054394008139,0.0378718240130812,10.685768757574351,4.907010748905241,6.182554942546169,1.1783658504160377,4.492876987947683,9.55168520292059,0.5735307921427811,9.081123325089932,0.9239600243690044,22.46438493973841,-4.492876987947683,-9.55168520292059,-0.5735307921427811,-9.081123325089932,-0.9239600243690044,-17.682770510256262,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1751,14.624935381758446,15.407356460835944,16.107481153366532,16.73731269833854,17.306111077170304,17.821272554508173,18.288902498132,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_108,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0764929611165308,0.3609847522629396,1.12073131984936,2.458177037866971,3.781349771148849,4.650468252334679,5.103257288789387,5.31386614246693,5.392691559894721,1.9717953336734784,0.2728422959548198,0.0060381804514347,6.970418947244712,1.6112180851156876,4.506851346848406,0.1342567316673956,9.159446244508093,22.402979036840524,0.8401954884142679,5.832340321410913,0.7786104352724986,31.942247062427874,5.456800781544741,14.541899560620474,0.3778250970901347,-5.832340321410913,-0.7786104352724986,15.759283366083205,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.328064039941838,16.060685432934942,16.707750703990744,17.283844714612695,17.800534632702153,18.26694812691431,18.69029285472658,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_109,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0802590187854408,0.5187884918412452,1.704193053829479,3.7591501898402697,5.805044051186631,7.152927105564164,7.855543447262739,8.18236596587158,8.304683378065157,3.0104905203020187,0.3772237322580185,0.003368398306359,12.65213256137925,4.158604323860532,7.90785764767755,0.7769782219562503,3.753679162313445,7.872546197931781,0.3747744062346292,6.751874412190479,0.9676852155395532,18.768395811567224,-3.753679162313445,-7.872546197931781,-0.3747744062346292,-6.751874412190479,-0.9676852155395532,-7.465812624856824,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1751,12.24344873654832,13.256932654160485,14.182827598255532,15.026094630655718,15.792458270789894,16.48795392945912,17.11863718940931,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_110,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0774131597688762,0.4678275559218941,1.4560634666560976,3.191922507633575,4.958417928085652,6.129764235694051,6.74103676443511,7.025389379082834,7.131806466937691,2.5530960460241783,0.3443403380030151,0.0042689857377204,8.798983502770003,2.8690225058087333,5.618058228507109,0.5001340937620616,9.315081957190408,22.36739958648037,0.8532477532783934,7.197053030219083,1.0126936929364605,34.243515895935964,3.6943885201891873,10.51609687792214,0.2308747865032395,-7.197053030219083,-1.0126936929364605,12.460462058805584,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.563910198757586,16.30237798972573,16.963029610064364,17.557109850997755,18.093451641793035,18.579153791518603,19.020056633380943,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_111,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0696135091541494,0.3572318243983696,1.241652354540296,3.021604156772084,4.911544056052427,6.182750875541924,6.84976062196503,7.160733212567714,7.277216440533194,2.352319126678791,0.2645805430544665,0.0049946585359678,9.161487468068913,2.417675964694564,5.763934902124193,0.2874825629672229,9.069625897594555,21.4880656183151,0.8510258272841845,8.124809399283603,1.1117238642024905,34.65835519086393,2.20749863561916,7.016652184100325,0.0887345504836249,-8.124809399283603,-1.1117238642024905,7.978160502844356,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.820901511983084,16.500634942301055,17.109325094864115,17.657756432791274,18.154428639114947,18.60608750431416,19.018157309987387,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_112,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0925404101682831,0.5058252950673732,1.4692248120375575,3.186605952579032,4.986187064356527,6.193819491412992,6.826716852619316,7.121604853586344,7.232033200953504,2.546686974886183,0.379391693021861,0.0059681150638931,9.26774595225444,2.909231803564912,6.080248248346299,0.5893018834123034,3.578710730440985,8.01186305681052,0.371412022556599,5.038730466181736,0.6371509056360521,15.809824008738325,-1.3804904472234718,-2.4555132394334094,-0.1882269989551395,-5.038730466181736,-0.6371509056360521,-3.7775417441725216,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.41896640232914,16.122562669452186,16.748528087605173,17.310310663891443,17.818020956475824,18.27939503792949,18.70046562188904,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_113,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.089871272295574,0.5177079698599333,1.542365733337681,3.400663668675572,5.370662806580815,6.708274838200165,7.414477414630399,7.744731207218214,7.868599807178979,2.7060624823519768,0.3861407337040354,0.0047759351250973,9.65259678613425,3.360299108304175,6.141608263808921,0.786882104056616,10.288814018118249,24.781076832241943,0.9652963586951808,7.972463795367262,1.048319814690162,37.60280312997863,4.312962116154379,12.127224295020044,0.2515183191608715,-7.972463795367262,-1.048319814690162,12.62057174627782,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.536231253745026,16.277575460745226,16.9395937815368,17.534752796551448,18.072269307762785,18.55928409111144,19.001568969194626,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_114,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0792880719712401,0.5110374244418495,1.7004867889374995,3.9294291934829806,6.251296532942475,7.802862568447433,8.614814782013513,8.992934492759554,9.134504325198169,3.0995143527638844,0.3723594043458942,0.0032951045131861,13.623500424621303,4.510433785647733,8.358651404595474,0.7810184778076339,3.36445725294284,7.043180514131797,0.3232511728550133,5.950466635782946,0.8910875284564134,16.822286264714197,-3.36445725294284,-7.043180514131797,-0.3232511728550133,-5.950466635782946,-0.8910875284564134,-5.8052958351367385,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1751,12.167600920973186,13.203814871181182,14.150909652745012,15.013048351782976,15.79560015479442,16.504565407026927,17.146163223738093,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_115,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2180352005448622,0.7391162477444793,1.659975672960942,3.1663086090253425,4.790113444554141,5.92398179831572,6.532041901982675,6.818459424831224,6.926210657021681,2.605108965208719,0.5994974290122541,0.0311529299081815,7.617045846003032,2.938694079221751,4.900183747403066,0.7633504950019318,5.086230085798301,10.787191367352396,0.6241146019345624,10.0791469012748,1.0931575095529396,25.431150428991508,-5.086230085798301,-10.787191367352396,-0.6241146019345624,-10.0791469012748,-1.0931575095529396,-18.25687170642786,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1751,15.794630641431464,16.4326773051328,17.01445746993724,17.54617533231591,18.03275277660397,18.478341855727106,18.88660736577265,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_116,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0822740248751805,0.3701821092428536,1.0965850520250993,2.3739999140930026,3.67931189554202,4.5561868298054335,5.017954014637308,5.23375158334788,5.314674443911334,1.904825761082889,0.282549390136313,0.0069814386920744,6.708577006290996,1.4697400401528262,4.45338405146029,0.1033541968843152,4.614177655251064,9.857120317413498,0.6351394367305254,9.695293149095267,0.8624226127169878,23.07088827625532,-4.614177655251064,-9.857120317413498,-0.6351394367305254,-9.695293149095267,-0.8624226127169878,-21.388872294881462,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1751,15.912267471777913,16.55232557611446,17.120199711254237,17.62801993536087,18.08564390205612,18.50093383032451,18.88009477271541,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_117,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0807471275706543,0.4677695606825101,1.444570894236714,3.248544112821889,5.152349824209548,6.435293972335808,7.109494494931688,7.42406864484508,7.541941746702681,2.5739722294922327,0.3463037017771815,0.0049412819767796,9.173423498283222,3.1036275383988383,5.712793427236042,0.6458838026232671,13.74915679694617,33.892181313986065,1.2012718290463285,7.276274185507159,1.1099389220354368,46.57065960311452,9.644381012231486,25.238689475530244,0.7481896550518095,-7.276274185507159,-1.1099389220354368,30.71278351330636,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.13449890905262,15.909939792922984,16.59540259963287,17.206878985292914,17.756221211397317,18.25243662224988,18.702549908663435,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_118,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0623097952427961,0.318652534660047,1.0507610850589644,2.643540414010133,4.410386390680976,5.614351952407539,6.2484559248675975,6.544447549359005,6.655366509184817,2.0315328865635003,0.2397016102760902,0.0040224436165018,7.063059812914208,1.80475150156358,4.47548263386074,0.1936366795189674,15.719556635981531,39.365097362614165,1.258321700586513,5.14086185480589,1.0980012501065533,50.13233737515064,14.309924652553374,36.539171262028496,1.244135073458063,-5.14086185480589,-1.0980012501065533,49.635805425654894,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,16.184565121271575,16.856308644884585,17.45938534305191,18.003765041222454,18.49707969651873,18.945385285838583,19.353645514183075,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_119,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.067129237268207,0.3394575681303824,1.1151235953207956,2.654892764327825,4.282778452258318,5.37481084115325,5.947129005552298,6.213824206121974,6.313702803211758,2.0767852674835936,0.2541686514984732,0.0046550205372698,6.676248929128749,1.830704381510644,4.185957665971939,0.1962371279885496,14.414299877314033,35.11795461621761,1.3245262144617402,9.627663483780394,1.2948163463895308,50.86181762990791,7.960749008835145,21.438524159598067,0.5400611927173576,-9.627663483780394,-1.2948163463895308,23.40554186885452,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.907305252412971,16.588299184655806,17.19955715307131,17.75114069873761,18.25099259691421,18.70548400415732,19.11982048766424,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_120,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0827372060679866,0.4851066381942306,1.4837010033689957,3.306738408882804,5.221778403995408,6.508914784666667,7.1843637617799,7.499308660686543,7.617286926724952,2.6263913317020533,0.3593107368150028,0.0047609917463451,9.115993445467458,3.181598768717318,5.585245088099289,0.6090154781168499,12.484650450176527,30.67275743950891,1.101207673052134,7.038033598208765,1.0478973837571302,42.7668686219278,8.251754257292324,21.741788722697297,0.6268260525702705,-7.038033598208765,-1.0478973837571302,26.16351190506258,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.66579968438312,16.367645939019745,16.995395669543164,17.56111460630439,18.07369563633401,18.539935526563653,18.96521771720935,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_121,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2080748569037992,0.7430024187667188,1.840955997779428,3.809552228250878,5.898563052164084,7.320344028364421,8.071953859652709,8.423643088446127,8.555582156027398,3.0741119214346457,0.59499485324509,0.0272231028674345,11.329196875558797,4.642229050114708,6.698178526190013,1.033301904873129,5.365243048086565,11.40624768720812,0.6848383762103947,10.843950057769725,1.1034612010040312,26.826215240432827,-5.365243048086565,-11.40624768720812,-0.6848383762103947,-10.843950057769725,-1.1034612010040312,-21.112471094294808,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1751,14.663306210669976,15.405559092889488,16.075289795535312,16.68250481048201,17.23500862211366,17.739084674105086,18.19994409336807,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_122,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0752722938085136,0.382952863330841,1.3941550239927825,3.415768137950626,5.523610490836387,6.931822910730486,7.669316496335139,8.012958481794286,8.141655991362954,2.6614431400925764,0.281709941419026,0.0058175740379778,10.5585511610738,3.308666379579462,6.371434903682752,0.3886588515905623,10.06259033988239,23.742648472777567,1.034413196360864,10.323051916968897,1.1648751464061555,39.262181950384125,1.5953645601909276,5.724678380016925,-0.0629169546880873,-10.323051916968897,-1.1648751464061555,0.85562666367082,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.7549264254734,16.43584655825009,17.040862385353623,17.582570113569975,18.070904112480235,18.513686826262017,18.917101564663373,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_123,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3777183325917653,0.9391706524482972,1.6278163815199995,2.823879898299065,4.162281650902072,5.089080483149252,5.581282823061428,5.8119002714580255,5.89845563275586,2.366320482573778,0.8137743681808642,0.0738696666757263,4.891060931404203,2.648394431289008,2.671831055908904,0.6358515027971059,17.050863318844076,41.75128702069299,1.6281849863388227,11.429489785934834,1.339394718089106,59.54426111619912,10.071832570057488,26.805621265354787,0.6320396710696411,-11.429489785934834,-1.339394718089106,24.679175081777768,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,19.58439506710388,20.126136983109795,20.561349869671165,20.916895391919702,21.211898083023527,21.460191096741625,21.67193114005404,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_124,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0760874478187034,0.3608288483826819,1.112542136706827,2.4262871029850968,3.732704490250866,4.594955070690275,5.045256710032571,5.2549339582572046,5.333445352692137,1.9480834980414072,0.2725831566804214,0.0059714637724332,6.451210833473848,1.462738997450184,4.254807007537032,0.1425357495854009,9.768312268356372,23.23117979509793,0.9440817079586352,8.788081573615289,1.114519664668584,37.07652381730724,2.6431558893311364,8.140771122582212,0.0902073051819904,-8.788081573615289,-1.114519664668584,7.190919720124665,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.772177134419442,16.44148760112488,17.037871323808393,17.57284896680866,18.05576978180144,18.494131643715694,18.89392794210016,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_125,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.226839504171507,0.7594811388200674,1.7580106865960907,3.43711514953304,5.20384159499246,6.409940988919118,7.04916606791114,7.34865939064432,7.461080207476649,2.814394035632612,0.6151352797304761,0.0340138205466559,9.296866940145234,3.5983633461432567,5.800491007400155,0.9353307778108508,4.6773090561201,9.88493372155724,0.5399970955510806,8.997285820528743,1.0689079758151685,23.3865452806005,-4.6773090561201,-9.88493372155724,-0.5399970955510806,-8.997285820528743,-1.0689079758151685,-14.413251407975132,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1751,14.975927459961795,15.709653437330664,16.370794642148304,16.968893358958443,17.511492709016494,18.004779388366156,18.45399149193784,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_126,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2387443277193569,0.8037704460704344,1.9557325040947589,3.8503908518328447,5.774728321575838,7.066229686997927,7.745699673301137,8.063047976265697,8.182018429312906,3.1577990012685184,0.6453603920341617,0.0378750055696237,10.68567317874832,4.907086411434797,6.182463783869856,1.178424775565886,4.49292911299554,9.551801118561734,0.5735423924686248,9.08126825274454,0.923961469404344,22.464645564977708,-4.49292911299554,-9.551801118561734,-0.5735423924686248,-9.08126825274454,-0.923961469404344,-17.68332190782603,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1751,14.624765936430029,15.407206958353806,16.10734836308206,16.737194046658065,17.306004481158315,17.821176303749898,18.288815170434003,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_127,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0764496000692174,0.3609058357079324,1.1206693959778318,2.4581381240382942,3.781315932064526,4.6504324154432215,5.103219306096023,5.313826954804397,5.392651890723556,1.9717507608168567,0.2727663233561059,0.0060313639371862,6.970250491889783,1.6111985570500924,4.506734078517814,0.1342569254863971,9.15902873106647,22.401883457274163,0.8401688611669443,5.832433442902454,0.7785985756741325,31.941157259082942,5.456165708932906,14.540334562277266,0.3777640088330037,-5.832433442902454,-0.7785985756741325,15.75698742739503,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.327985455966738,16.060617806609123,16.70769229397944,17.283794155389828,17.80049081839018,18.26691013847181,18.69025991393409,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_128,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0802588940555838,0.5187890104139796,1.7041935862147335,3.7591402966409535,5.805023560072082,7.152901819101261,7.855516479741503,8.18233841090132,8.304655634940412,3.010484950578755,0.3772238836571153,0.0033683872876837,12.652043029284483,4.158596146358716,7.907793680135957,0.7769622394550811,3.753788892526988,7.872776756234374,0.3747857716444803,6.752075065682831,0.9677127353411088,18.768944462634938,-3.753788892526988,-7.872776756234374,-0.3747857716444803,-6.752075065682831,-0.9677127353411088,-7.466059552478686,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1751,12.24321706989748,13.25672314112949,14.18263821270416,15.025923343087506,15.79230314698114,16.487813183260318,17.11850920524747,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_129,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0774158177800149,0.4678457202198006,1.4560965761547306,3.191956092554816,4.9584517115997695,6.129799532899678,6.741073270262904,7.025426538590461,7.1318438854985,2.553129989137649,0.3443539127217219,0.0042690655632061,8.799051704376103,2.8690957044548817,5.6180866884444765,0.5001684865047135,9.314539753417302,22.365999417805373,0.8532064241952741,7.197029102742952,1.012675376414934,34.24197534245732,3.693695947290392,10.514375953052593,0.2308132175303668,-7.197029102742952,-1.012675376414934,12.458213109185568,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.5641277334137,16.30257079968014,16.963201072704233,17.557262961597143,18.09358898085181,18.579277547803063,19.020168649353906,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_130,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0696398032006989,0.3572852620299321,1.241691241696459,3.021603067954414,4.9115157148346125,6.182710556301947,6.849715588365601,7.160686303891829,7.277168879250789,2.3523312690467497,0.2646307319762869,0.0049984044721323,9.161437314480263,2.4176496987981024,5.763917408164956,0.2874787141124321,9.069693517136155,21.488169512535933,0.8510474931280418,8.125214158065688,1.111741402945175,34.65891915124705,2.207192743365374,7.015946017872931,0.0886930285804192,-8.125214158065688,-1.111741402945175,7.976512892080259,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.821249095524054,16.500927728341267,17.109573475380138,17.657968453709035,18.154610634597457,18.606244528529885,19.01829343972049,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_131,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0925404890770929,0.5058273864629509,1.46922707483607,3.1866078336764967,4.986196908925193,6.193838228055359,6.826741107003269,7.121631851650971,7.232061252800416,2.546688031697589,0.3793931011268741,0.0059681151182157,9.267744874147482,2.9092262546959806,6.080281126511923,0.5893207867330145,3.5786326889726494,8.011668407665823,0.3714051196306973,5.038695211730581,0.6371459155914339,15.809568936981796,-1.3805549663724357,-2.455678934821036,-0.1882319760806795,-5.038695211730581,-0.6371459155914339,-3.777729412916396,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.41899981469138,16.12259226335921,16.748554962699668,17.310335591111937,17.818044458118944,18.27941745749096,18.70048717887404,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_132,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0898809235731087,0.5177152848191958,1.542373987986414,3.400671163065622,5.37065861438938,6.708258310932783,7.41445331854534,7.744703359815924,7.868570520578417,2.70607159988697,0.386149001834778,0.0047782002790427,9.652612399789785,3.3603390061158724,6.14151306704706,0.7868533034727219,10.289223873933004,24.782139612657804,0.9653280914648232,7.972473905748448,1.0483306970111508,37.60395122282888,4.313502962289749,12.128564564310947,0.2515658115537396,-7.972473905748448,-1.0483306970111508,12.622271425940957,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.536365168222918,16.277697639186897,16.93970489489053,17.53485373832306,18.072361039855974,18.55936756052768,19.00164506508024,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_133,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0792788330450575,0.511012527444544,1.7004701933003523,3.9294407878358455,6.251326922930885,7.802900242776201,8.61485495413475,8.992975562181927,9.134545690044334,3.0995164433413054,0.3723366690964559,0.0032944535353389,13.62379474963164,4.510407880574533,8.35884712708813,0.7809254120930804,3.364513415721824,7.043308115564337,0.3232662970480579,5.950643792106288,0.891084163031103,16.822567078609122,-3.364513415721824,-7.043308115564337,-0.3232662970480579,-5.950643792106288,-0.891084163031103,-5.806073714754933,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1751,12.168197456578246,13.204365531742296,14.151416569892923,15.013514231994932,15.796028017043524,16.50495837301218,17.146524368732425,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_134,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.217989343139012,0.7390382139952464,1.6599087421459864,3.166300843546661,4.79017307172741,5.924084737923288,6.532166664038724,6.818594138361006,6.926349061442245,2.605077463913797,0.5994229558087413,0.0311419240183845,7.617376774630219,2.938580849514501,4.9003571248795845,0.7631891307044686,5.086047178017699,10.786796276699516,0.624085205012481,10.078728818117549,1.0931312348194744,25.430235890088497,-5.086047178017699,-10.786796276699516,-0.624085205012481,-10.078728818117549,-1.0931312348194744,-18.255728460785168,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1751,15.79442639179458,16.43247767409771,17.014259206534625,17.545977253283976,18.03255492503694,18.478144912777413,18.88641227057053,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_135,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0823183532687807,0.3702712757772072,1.0967261662638037,2.3742244394999883,3.6796145568743177,4.556538758315497,5.018331062753532,5.234140200432552,5.315067373106073,1.9050204872793703,0.282630217100066,0.0069889117631688,6.709321327472464,1.470005282119574,4.453811518542483,0.1033920516566931,4.614170198239227,9.857110344389858,0.6351441882537069,9.695323704268882,0.8624103852407552,23.07085099119613,-4.614170198239227,-9.857110344389858,-0.6351441882537069,-9.695323704268882,-0.8624103852407552,-21.38924218656336,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1751,15.912078585366343,16.55215304680079,17.120040405735747,17.627871531741896,18.0855046864043,18.500802534497826,18.879970450142224,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_136,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0807724585174211,0.4678207337246089,1.4446268865274892,3.2486045752248427,5.1524147012178565,6.435361326219612,7.109563047031192,7.4241377402829345,7.542011043785041,2.574030925948135,0.346351513216219,0.0049448226901165,9.17365916385688,3.103763207440022,5.712906357976365,0.645956901763716,13.748611225641618,33.89078212477636,1.2012246242192388,7.276157615024942,1.1099228805232149,46.56904393127289,9.643753289806508,25.23712297906707,0.7481390854014386,-7.276157615024942,-1.1099228805232149,30.71105007264988,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.134814169558528,15.910219618292032,16.595651965697765,17.207102139566086,17.75642174692216,18.25261756914556,18.702713822783704,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_137,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0623464965444652,0.3187281220933621,1.0508366785992391,2.643604708477127,4.410443611678833,5.614406387341528,6.2485093656140975,6.544500620485487,6.655419456167963,2.031600841373179,0.2397724569529494,0.0040271658670844,7.063197184362914,1.8048628536131617,4.475550767387881,0.1936786880926917,15.719075668346866,39.36385504180706,1.2582760089302445,5.140740653469219,1.0979971813326526,50.13093257120276,14.309350639027098,36.53774695091264,1.2440928500175863,-5.140740653469219,-1.0979971813326526,49.63452200925974,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,16.184705209617473,16.85643494400412,17.459499384305406,18.003868338209166,18.497173622475128,18.9454710372324,19.353724113372383,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_138,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671023437998797,0.3394013743252361,1.11507091861472,2.65486443560874,4.282766334164979,5.374804536635205,5.9471243629744,6.213820039428217,6.313698767756959,2.0767486821831542,0.2541165624665011,0.0046513126786677,6.676145917532559,1.8306895814106048,4.185879926567709,0.196219507238141,14.414520772799197,35.11852520714974,1.3245412893476665,9.62765305945991,1.2948260733680976,50.86243688582967,7.961039995376248,21.439247431535325,0.5400887746669538,-9.62765305945991,-1.2948260733680976,23.40659887200472,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.907117637553098,16.588125887117332,17.199397828948744,17.750994427830644,18.25085825583612,18.705360448878626,19.119706636913246,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM1751_139,RSM1751.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0827302846984273,0.4850896366182941,1.483693307876114,3.306773306915113,5.221854171171315,6.509014321388196,7.184474773806497,7.499424816858538,7.617404978171229,2.626410148458963,0.3592953906557661,0.0047601597436801,9.116261705027137,3.18164822288398,5.58540573385063,0.6090289575499409,12.483698300906743,30.670363776612856,1.1011255431626263,7.0376847004768965,1.0478436388642445,42.763845549056335,8.25087325651996,21.73954880861308,0.6267554199562659,-7.0376847004768965,-1.0478436388642445,26.160891236833727,48.0,121.3276,4.0,0.0,0.0,149.0,-7.0,-14.99146,-1.0,-15.0,-2.55,-35.0,RSM1751,15.666049910399588,16.36785586821976,16.99557334595727,17.56126616864111,18.073825840398577,18.540048107386543,18.965315643325937,"OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O.OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-].[Ba][OH2][Ba]pts,.cat0","linker OC(=O)C1=CC(=[C]C(=C1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], OC(=O)C1=CC(=[C]C(=C1)Oc1cccc(c1C(=O)[O-])C(=O)[O-])C(=O)O, OC(=O)c1cc(cc(c1)C(=O)O)Oc1cccc(c1C(=O)[O-])C(=O)[O-], nodes [Ba][OH2][Ba], topology pts,"
RSM0226_0,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0045069369675193,0.2045981195367529,1.3989799811484145,3.944251130438538,6.609075922890016,8.388747305617928,9.320804789980713,9.755158320854031,9.917840280672984,2.9910220940391974,0.1117079989729693,5.4229108837248425e-06,14.257738376182202,4.642406969822855,8.372180221135851,0.5508894152653898,22.36360244974881,50.41882387672528,2.148646864555364,5.420159924915559,1.226448128806844,69.58726827013143,-22.36360244974881,-50.41882387672528,-2.148646864555364,2.447222633808275,1.226448128806844,-69.58726827013143,-21.0,-47.5466,-2.0,5.0,1.54,-61.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0226,19.39115436072136,19.84509590304907,20.205157935108453,20.4949675883375,20.7313249190361,20.926386165525425,21.089094102119155,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_1,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0045331146031156,0.2048332338277798,1.3983167262736311,3.941656741856621,6.605132616901232,8.384141654977741,9.315905705263283,9.750132912509248,9.912769126208136,2.989061063721377,0.1119144397014142,5.506034286975055e-06,14.239260895208885,4.635864725058102,8.362970308618012,0.5506265730192207,22.3685364814074,50.42938692035688,2.149348022038407,5.423639783053484,1.2255683218169564,69.61167913565149,-22.3685364814074,-50.42938692035688,-2.149348022038407,2.43667934228535,1.2255683218169564,-69.61167913565149,-21.0,-47.5466,-2.0,5.0,1.54,-61.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0226,19.42065668127508,19.86876658652109,20.224532032796294,20.511099082450382,20.744956501307232,20.93805367509451,21.09919248247997,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_2,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1442069855255898,0.5275692026509946,1.579856304759402,3.576331837397907,5.657376420419487,7.053341853514636,7.786075332246291,8.12785104801546,8.255904315100581,2.833397978367483,0.4097638571887794,0.0208564097178002,13.16192193101809,3.894574916530692,8.156816370514823,0.5434132022701,3.2084565958322124,6.992644771812183,0.5759319519523383,7.815912211450919,0.3497387242846136,24.27295365750261,3.2084565958322124,6.992644771812183,0.5759319519523383,7.815912211450919,0.3497387242846136,24.27295365750261,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0226,2.603146986211667,3.22682551622839,3.885926003558097,4.561758301012144,5.239024627434591,5.906124479945529,6.554888165191001,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_3,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432415561978815,0.5321165516764038,1.7242614915465937,3.952057940864054,6.152778670461643,7.582133050954336,8.32140496710298,8.664049479230053,8.792098027064071,3.138538588857694,0.4085905935193396,0.0207147184825785,14.172455506255384,4.538990356963327,8.780926657014142,0.8778809408730763,3.2236282169353028,7.031112759783076,0.5839611888712569,7.895317727905358,0.3395873274026028,24.759142136311468,3.2236282169353028,7.031112759783076,0.5839611888712569,7.895317727905358,0.3395873274026028,24.759142136311468,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0226,3.6917192258128586,4.376876141446026,5.07559355931073,5.771870985899966,6.4534638542744345,7.111819740477867,7.741589195059655,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_4,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421873293554674,0.4909467262477284,1.4680812201115614,3.3981098514835533,5.409573405736525,6.753928448778302,7.458270778824878,7.786543854633642,7.909498896552652,2.678239082843825,0.3866904100675218,0.0205866027994485,13.166831065912875,3.5002139024881784,8.185276196675181,0.2831358775243752,3.774901971737791,8.210511332821675,0.6614923681350651,9.066840916818313,0.4403606148649153,27.42995591076558,3.774901971737791,8.210511332821675,0.6614923681350651,9.066840916818313,0.4403606148649153,27.42995591076558,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0226,2.889600981409763,3.5807801042910943,4.3014477107373565,5.030056135637529,5.750035129940456,6.449680983221987,7.121469944693441,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_5,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1429227592787439,0.5692266441103232,1.8587940155171303,4.328786492224462,6.852212744956268,8.51552602643289,9.380382806015104,9.78202171012073,9.93222734943225,3.414193575743376,0.4318780185581516,0.0201318912030327,15.751340961432543,5.738566925790618,9.240618932934746,1.176093018596855,5.866558264047606,12.823734985531784,0.8550569720485033,9.885119784880468,0.5710011680115122,32.60402343559078,5.866558264047606,12.823734985531784,0.8550569720485033,9.885119784880468,0.5306883929321526,32.60402343559078,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0226,2.58276543077053,3.13491874560676,3.72793129636587,4.346413029096956,4.976419149838447,5.6064415848542914,6.2276731872341005,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_6,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415973106893713,0.5326081446471088,1.622418810391052,3.7439163086775102,6.003439689800182,7.53026782036131,8.333211491136138,8.707920639362522,8.848332686462287,2.9468075204804136,0.4111202548373746,0.020047777599878,12.85509731428568,4.049367440341423,7.982896898835471,0.8435293520873219,6.443163909251712,14.075192761432902,0.9549399741396728,11.278040584719474,0.6431014023055927,36.70007237321229,6.443163909251712,14.075192761432902,0.9549399741396728,11.278040584719474,0.6030350720534553,36.70007237321229,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0226,2.70235296364772,3.2529394178395568,3.8437620837694833,4.459589764519404,5.086592861534495,5.713354237494915,6.331142855697717,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_7,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425930269436306,0.4927779692560863,1.47815798969432,3.4086167389403506,5.398913780851714,6.720576688013237,7.410973092364315,7.73233348865364,7.852636592414689,2.6913732418546097,0.3878541505944538,0.0206999304454373,12.726348437559562,3.462965774825672,7.921436834987449,0.3169700449245824,3.4294389600035244,7.461814929396685,0.6035459352660214,8.257806442131695,0.3958547484423945,25.10102066860388,3.4294389600035244,7.461814929396685,0.6035459352660214,8.257806442131695,0.3958547484423945,25.10102066860388,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0226,2.7875267864713327,3.470257829937907,4.184656087731847,4.909116650359247,5.6268627560132,6.325910841804233,6.998437846135209,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_8,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419790498630248,0.5010473408749941,1.5074383860029166,3.415762672383761,5.344226006581548,6.610670902403777,7.2686263110066145,7.574132999928545,7.688384140452541,2.7125052030547696,0.3921059281025824,0.0204701335656064,12.001946825270142,3.3701303634104844,7.53832513348302,0.4327541011943107,2.816288564627956,6.137157566285168,0.5044440514979546,6.847312600943645,0.3071778886020148,21.23298315423386,2.816288564627956,6.137157566285168,0.5044440514979546,6.847312600943645,0.3071131975210441,21.23298315423386,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0226,3.4920054516877137,4.174935337451794,4.876375216091169,5.578885836862043,6.268998673489739,6.937212809017008,7.577489850238201,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_9,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1444534781482969,0.5208177339831523,1.5627203580915656,3.558062409340866,5.640307547760282,7.037928581370277,7.771912889344765,8.114373309305835,8.242700399609692,2.8149948572329544,0.4056044159288106,0.0210221462235992,12.649393705319625,3.65679494437341,7.931920261243173,0.5070635039222627,3.5073466621379885,7.65153176646476,0.6320718252586647,8.506776182688597,0.3689258269059128,26.7504729699661,3.5073466621379885,7.65153176646476,0.6320718252586647,8.506776182688597,0.3681094685985027,26.7504729699661,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0226,2.6213969089311724,3.2544681775800703,3.920875890231944,4.602019156261056,5.282844751569619,5.952044292793016,6.601730555782543,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_10,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.144192493888477,0.5269116473569547,1.5774663311144193,3.5731663187836302,5.6552828349708095,7.052504149049326,7.78599859251647,8.12814679219188,8.2563420801015,2.830235215961245,0.4093551849408179,0.0208604835456412,13.156360468365616,3.8857784539470974,8.155104348631642,0.5390431462151201,3.209636489392797,6.995564012082533,0.576481743754794,7.821490439431149,0.3492132455135599,24.3055396158716,3.209636489392797,6.995564012082533,0.576481743754794,7.821490439431149,0.3492132455135599,24.3055396158716,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0226,2.5997860715159846,3.223505358679962,3.882703526669399,4.558667975539948,5.2360862593841775,5.903348376813436,6.552278616610529,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_11,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1433553191694741,0.5327247091437918,1.725747801204989,3.95346881446934,6.153845015405071,7.583051212570566,8.322285095609745,8.664921813007089,8.792969090291,3.14005871684644,0.4090104917845046,0.0207439729155578,14.17329718815575,4.545763315016972,8.782572733139938,0.8823664105873934,3.2250639507497723,7.03439710715094,0.5843695182133367,7.9000200964564655,0.3394606114336422,24.780546521184704,3.2250639507497723,7.03439710715094,0.5843695182133367,7.9000200964564655,0.3394606114336422,24.780546521184704,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0226,3.6937900815847913,4.380355487292018,5.080075563386308,5.777006033944154,6.458974456564717,7.1174967297842135,7.747280647358588,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_12,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421843859828253,0.4910280621438508,1.4678318630089984,3.396891455503247,5.407452508910228,6.751138644711771,7.455093726803277,7.783176621635031,7.906058791570587,2.677355277009189,0.3867425741371365,0.0205853210585369,13.162589126657789,3.498678067525664,8.181896953188405,0.2826140377209459,3.7859448933464623,8.234197255578565,0.6631041117330738,9.090777787211051,0.4422731033614149,27.487563354582853,3.7859448933464623,8.234197255578565,0.6631041117330738,9.090777787211051,0.4422731033614149,27.487563354582853,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0226,2.886404017942464,3.577369851449604,4.297928878921469,5.02650893601317,5.746519092855817,6.446238718773271,7.118130647593395,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_13,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1429856076715893,0.5692749123990435,1.8572474793852007,4.32385147527809,6.845021496294877,8.50748046948258,9.372067234457177,9.77361823151179,9.92379688347268,3.410391399660816,0.4319781348431392,0.0201458438872927,15.719373728869291,5.724240990831078,9.228046806514854,1.1760685614939723,5.873168724224769,12.838566134312464,0.8561095182252539,9.893588932104684,0.5709335326571866,32.649492513586445,5.873168724224769,12.838566134312464,0.8561095182252539,9.893588932104684,0.5305270192582991,32.649492513586445,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0226,2.584533123281429,3.1365031144594044,3.7293715306563913,4.347734226790463,4.977637554279331,5.607568083681712,6.228715528747043,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_14,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417557217878432,0.5339289866140515,1.6269877971936402,3.75288966775087,6.015849092885727,7.544618220970521,8.34850148613421,8.723633702348867,8.864201994820329,2.954314657189445,0.4120151979861876,0.0200777670406982,12.896965902596554,4.07452640923298,8.002914623550064,0.8504148388676782,6.434234537817776,14.055000807781465,0.9542203721249692,11.282490656787123,0.6434539867124194,36.68022270725285,6.434234537817776,14.055000807781465,0.9542203721249692,11.282490656787123,0.6036610315976992,36.68022270725285,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0226,2.7089114529824805,3.2591166151380127,3.8495429817308593,4.464977132855721,5.091599730031586,5.717999280806512,6.335447548148292,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_15,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425821354389383,0.4928463818621466,1.4792388672702848,3.4116391402297066,5.403126979254415,6.72520037363009,7.41571326888908,7.737107580763761,7.857420247018748,2.693764492271681,0.3878738064817171,0.0206966216510292,12.740828747001704,3.469590646283451,7.928283640995418,0.3179682497056367,3.429774169736665,7.462362239412698,0.6034293499201905,8.25720896909819,0.3961948363550981,25.091183645730005,3.429774169736665,7.462362239412698,0.6034293499201905,8.25720896909819,0.3961948363550981,25.091183645730005,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0226,2.789151187401766,3.4719898220241148,4.186468057042551,4.910984488802997,5.6287648087042506,6.327827807369764,7.000352927955778,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_16,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419753626922479,0.5010397335164687,1.5076768657972173,3.41655280154022,5.34543728337794,6.612117102531189,7.2701864204769935,7.575744508759665,7.690014652326823,2.713111001193276,0.3920974058690268,0.0204689788842418,12.010777080157547,3.371794798395835,7.543571643381849,0.4326850910661521,2.820502246048926,6.1463780286191,0.5052869965204111,6.858877821820063,0.3075665438775513,21.270472152092644,2.820502246048926,6.1463780286191,0.5052869965204111,6.858877821820063,0.3075105382148063,21.270472152092644,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0226,3.497699639778158,4.180392117544336,4.881525825395632,5.5837013048380335,6.273474561576748,6.941358995215081,7.581323971073973,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_17,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1444666252690768,0.5209488905805153,1.5636270990558,3.559999528223835,5.642585103886626,7.040210577094086,7.77415673895757,8.116592787507232,8.244909858989814,2.816651170852297,0.4056799998987624,0.0210252993241065,12.659288161989044,3.661409910327414,7.93754243275374,0.5079238617670354,3.5063852276021903,7.649357080393583,0.6319399991384733,8.506178226606833,0.368974656099664,26.745005630663083,3.5063852276021903,7.649357080393583,0.6319399991384733,8.506178226606833,0.3681785561839047,26.745005630663083,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0226,2.6246020789041014,3.257838813881417,3.924368396901567,4.60559240131436,5.286460680137037,5.95566877352047,6.605333981593101,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_18,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2277237429192631,0.9451985666178724,2.324492217323383,4.441072122681074,6.532933771908644,7.921165397367853,8.648177434597473,8.98708730469947,9.114044828498027,3.677112184975611,0.7413133973691306,0.0246725683749477,14.641774498708385,7.069151816425823,8.356801395228604,1.930076733590351,2.442359929413678,5.321213610404141,0.4363420196476504,5.933096086594882,0.2801661408691972,20.938640040021404,-1.9210602670628265,-4.280719429792624,-0.4363420196476504,-5.411796424244029,-0.0252732728841578,-20.938640040021404,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,9.025101875647945,9.824016895899543,10.594207159889413,11.333915611243995,12.041313133192574,12.714889900503543,13.353665775034834,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_19,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2222304890047318,0.930313914822762,2.314910703927289,4.4250314062314615,6.476126120907766,7.823868964840111,8.526517067040981,8.853442082577908,8.975815107802047,3.667880850213522,0.7279077076459526,0.0240841115407953,14.684062528810475,6.764123059999777,8.618692115053056,1.9227230379127247,2.3116528495454247,5.084019680752907,0.4595249515154936,5.987852461669373,0.1670762339561631,20.748763278037,-2.283596665609512,-5.02806583032032,-0.4595249515154936,-5.959796277733462,-0.1545912321046821,-20.748763278037,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,9.041281541346455,9.823917430466858,10.57857713856568,11.303081418484226,11.995699008793478,12.655235566705263,13.281051865899654,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_20,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1032617630722699,0.7375046730249648,2.2707534459977667,4.497972668082812,6.550311317760323,7.868490198518491,8.549794528467046,8.865714189330722,8.983811692473337,3.7172442556045406,0.5304894659459664,0.0038430859593039,15.276981746484037,6.637205103520555,9.076131638748636,1.846944339596823,1.265106264711059,2.767830591642164,0.2374040141372671,3.164338377809196,0.1178397612890452,11.073611606300636,-1.1089338766616126,-2.4563681895357514,-0.2374040141372671,-3.0081659897597497,-0.0483430486070416,-11.073611606300636,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,7.909407681222996,8.624349972301873,9.33417704948338,10.036339636813768,10.727046465874844,11.402139115703791,12.05770278817116,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_21,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172126306085251,0.9215345675488402,2.343660613309,4.50078596065982,6.539630796604358,7.853642872712866,8.53233044268152,8.846811153804634,8.964327896512785,3.7336505872416135,0.7181018091831197,0.023578514271413,14.99304196894921,7.243423196956521,8.468119138976785,1.9549565608516888,2.288674143589992,5.036346464025243,0.4577348287179982,5.950552773333977,0.1602071900512992,20.59806729230992,-2.288674143589992,-5.036346464025243,-0.4577348287179982,-5.950552773333977,-0.1602071900512992,-20.59806729230992,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,9.397461355359596,10.19491566179443,10.95838302584128,11.687204723111533,12.380678005174016,13.038328728313417,13.660053955252137,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_22,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2294079487400993,0.9490254983197858,2.3483515144232725,4.622643791450711,6.943147604756362,8.497315917466755,9.313127510520042,9.693679642465424,9.836265328753116,3.788688298041142,0.7455556833304875,0.0243768706390102,15.860891330261865,7.388161521644815,9.064869298358277,1.9745709049968243,2.387023318526224,5.181699975129549,0.4080615395017671,5.6515156345403605,0.3086870443163032,20.096347382666465,-1.6935920764914476,-3.797906393607378,-0.4080615395017671,-4.958084392505585,0.0230439666650665,-20.096347382666465,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,8.851321077139836,9.6150771855239,10.354011863449273,11.067247724669286,11.753226881735769,12.41031205153788,13.0371554534607,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_23,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583538430152204,0.7846425649703238,2.00155097197865,4.019215475801677,6.120305478226303,7.543962660629261,8.295771043029568,8.647458385177895,8.779386623914018,3.273243493463776,0.605489062603248,0.0101403924433975,12.506655991264603,5.445623366453903,7.264321592072404,1.4130742844854207,1.9874114691168467,4.155284704958959,0.1859211276563531,3.474780490367672,0.5359077994231207,13.655479898711295,0.1282001925533148,0.0639936118945254,-0.1859211276563531,-1.3591688286975103,0.4057630100636737,-13.655479898711295,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,6.650416173228777,7.427226155773001,8.199037437988782,8.959711252626777,9.704276729700698,10.42860540325518,11.129308912406938,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_24,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2274381276675558,0.9395527340588892,2.2518537953013165,4.298138016046892,6.389103935709558,7.799112144943301,8.542205266984345,8.88948590789242,9.019707959576504,3.5497656648891907,0.7396646412135106,0.0241406928927421,13.70188338490842,6.4371694984183465,7.990254301256898,1.8382312647019736,2.5743875473620483,5.598823767828733,0.4502315567233014,6.17624000114846,0.312347165627378,21.87656887127628,-1.9279280198709656,-4.308755758277012,-0.4502315567233014,-5.529780473657377,-0.0028149240789326,-21.87656887127628,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,8.968435431629235,9.71725523372779,10.44598256283372,11.152456955698018,11.834060904442596,12.488335989486968,13.113330363968512,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_25,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165655589296109,0.9190654452347656,2.3289486362479064,4.428223970954623,6.390049775646585,7.6484077410682385,8.297041289441966,8.5973362659221,8.709512382500815,3.685540850909368,0.7160006913080206,0.0236109210059969,14.254486195746203,7.041309304861811,8.085596061907356,1.927803451046345,2.187196036831244,4.813038613241068,0.4374392073662488,5.686709695761235,0.1531037225781869,19.6847643314812,-2.187196036831244,-4.813038613241068,-0.4374392073662488,-5.686709695761235,-0.1531037225781869,-19.6847643314812,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,9.389160945129186,10.200740992267711,10.976558532856345,11.71584646820958,12.41795397330176,13.0825455348906,13.709698427467265,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_26,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1026936265851575,0.7355025617190175,2.267103006158262,4.481803075755899,6.500879797759733,7.786049817468237,8.446976467866781,8.75272377575733,8.866904492845796,3.707894581458695,0.5288118184630135,0.0038085910144993,14.868457942770254,6.601369074593786,8.760111411207058,1.8436919667637133,1.1858068742475174,2.599330276568691,0.2273652121747992,3.004728571645912,0.1013887273618861,10.476338614733574,-1.0878452475004752,-2.403959447248098,-0.2273652121747992,-2.906766944898869,-0.0577669211604732,-10.476338614733574,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,7.883516201060814,8.6074776542313,9.325366564305432,10.034620030897278,10.73146897003969,11.411801112025922,12.071764562842954,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_27,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.221603276222495,0.9297411735020052,2.2904393481405334,4.289015465427855,6.189567662604515,7.428909819805913,8.073512217838882,8.373191002476402,8.485333534612424,3.579254135485704,0.7274916913081592,0.0238556634956093,13.640982476352336,6.522873907687789,7.878317325811039,1.8898180946511007,2.562972071059608,5.635957296042129,0.5087185828696122,6.632720734016506,0.1866752287410024,22.989232012690287,-2.5242137576365145,-5.558659653666783,-0.5087185828696122,-6.593962420593412,-0.1694277792677258,-22.989232012690287,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,9.077216431051792,9.857113400704808,10.608041708482784,11.328488552183758,12.017112925056036,12.672930843099705,13.295401145402993,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_28,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2276910268336194,0.946150524159128,2.323380815877565,4.37741637499296,6.37408762977655,7.694764390615311,8.386428618624157,8.708972811798471,8.829824033999945,3.6423560448113568,0.7414785515064344,0.024778307635043,13.788472745212276,6.898627130238552,7.848361172200532,1.918534034414504,2.286613098649537,4.979558608147263,0.4062330001591646,5.536477099922854,0.2673511180040273,19.55772549643098,-1.7757169029421092,-3.959809801515237,-0.4062330001591646,-5.025580904215427,-0.0170119821073876,-19.55772549643098,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,8.959039460772212,9.76810894068856,10.547739349170843,11.295945568066603,12.010822067634676,12.690874757397502,13.335190146817522,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_29,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1584496285586054,0.7827632932742697,1.966504245392357,3.968389921193204,6.144870610096507,7.655332261327327,8.461156664679157,8.839699939848165,8.981940096736443,3.21675805635332,0.6050288318082762,0.0101129630387969,12.20256154657795,5.220975418328371,7.210248412211803,1.3735835171883273,1.7277906834746706,3.562621565371603,0.1131613349582517,2.633081363140685,0.5602824736973187,10.902180116538387,0.596177333892153,1.0724475457210945,-0.1131613349582517,-0.3091133457738609,0.4810695392265425,-10.902180116538387,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,6.521912475174188,7.300685932057664,8.07706193046603,8.844296866595178,9.596840161762216,10.330035962162084,11.040043041306925,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_30,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2276535055912261,0.9450064725290788,2.3240612434254024,4.440975194669318,6.534208360379695,7.923581847834439,8.651212535004099,8.990411022465134,9.117476415832025,3.6767336997370457,0.7411382559136879,0.0246697812365497,14.641535071597083,7.069964162415007,8.356025592687294,1.9286709857979247,2.4392160320364056,5.314241038935605,0.4356607672072664,5.924502169694538,0.280040046072672,20.90929550432736,-1.91739164003626,-4.272700687059241,-0.4356607672072664,-5.40267777769439,-0.0249224909724142,-20.90929550432736,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,9.02956134184886,9.829038378063643,10.599659238838044,11.339670212909503,12.04725855858572,12.720933815623214,13.35973422333675,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_31,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2222648426536557,0.93004461105715,2.314192709531615,4.425868216067545,6.4789354235828505,7.827835450910864,8.531025698648687,8.858188426454,8.980648077218211,3.668013474845217,0.7277680258745706,0.0241082086831086,14.694931696264458,6.766063216302521,8.626240258584843,1.9226818737809992,2.311885612714495,5.084102171462756,0.4591547121226789,5.985123309695926,0.167874012427927,20.74252230602605,-2.2796615085122944,-5.019836029247099,-0.4591547121226789,-5.952899205493726,-0.1535342860579479,-20.74252230602605,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,9.0428718710978,9.825746582961484,10.580666882528288,11.305405964928116,11.998213534264016,12.657890619065904,13.283800367893267,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_32,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1032580678712161,0.7375760367850067,2.271357653602319,4.500354117593387,6.554425057113869,7.873543948914195,8.555268891878121,8.871368253278822,8.989530447473722,3.718939631073549,0.530530451003561,0.0038419963608278,15.292937177971474,6.645385862016879,9.081740227526522,1.8479665577458144,1.2624171574084635,2.76126878157485,0.2362412815562221,3.1523474098582405,0.1188232321288497,11.03691141816676,-1.0999956581537575,-2.437343464536227,-0.2362412815562221,-2.9899259106035347,-0.0465456649605055,-11.03691141816676,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,7.899033686246785,8.614517676135463,9.32484945299476,10.027450583780618,10.718531717364645,11.393947148907932,12.04979631423482,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_33,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172063404207989,0.9216862602288828,2.3440931444496496,4.501061833707239,6.539981061868621,7.854139409463805,8.532915566315188,8.847438371272958,8.96497087934177,3.733968553529516,0.7181762624272867,0.0235770748340535,14.992641402016297,7.246822118339164,8.466783319305728,1.955247629647704,2.2862837898514456,5.0310863663251775,0.4572567579702891,5.944337853613757,0.160039865289601,20.57655410866301,-2.2862837898514456,-5.0310863663251775,-0.4572567579702891,-5.944337853613757,-0.160039865289601,-20.57655410866301,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,9.401978025456897,10.199272635514548,10.962489458376218,11.691009798429649,12.384161302474862,13.041490567563256,13.662907618849696,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_34,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2295101144376467,0.9490387843603084,2.346846309692,4.618694455093924,6.937184526666972,8.490142034836419,9.305346097343683,9.68562009607739,9.82810235028404,3.785562301990216,0.7456625803299753,0.0243955791652659,15.836557709884298,7.376403565513088,9.053542173603176,1.9729985783847408,2.388982535847362,5.185752595542908,0.4082034878989422,5.654610439038901,0.3092628827424525,20.10898243721565,-1.6930523431420597,-3.796977421487024,-0.4082034878989422,-4.958680246333598,0.0235204412131931,-20.10898243721565,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,8.859579477487438,9.622442296888329,10.360589555705662,11.07311889168457,11.758460056391026,12.414969356812067,13.041294907704057,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_35,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1584083569041589,0.7847704253433944,2.0013428224058085,4.018776788837234,6.120248045331208,7.54427867407796,8.29628778319698,8.648067046410794,8.780029274452994,3.2727922792480992,0.6056143884440836,0.0101463717881543,12.511711870675796,5.444004046651844,7.268899498848126,1.4128394275163465,1.9899575011385613,4.160890766217196,0.1864335354859216,3.481425785025935,0.5360823289750466,13.678458215411244,0.1256221462793449,0.0583238724110358,-0.1864335354859216,-1.3658461376080282,0.4055788541349016,-13.678458215411244,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,6.705576357514295,7.474898104560495,8.240450403512828,8.995793304365533,9.735777297047456,10.45615439163532,11.15344609068385,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_36,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2276062565889331,0.9399963029802664,2.253757824448998,4.30305789966811,6.39675609572962,7.808366726339555,8.55223315818155,8.899859366938413,9.03020847594489,3.553603796570701,0.740012549451144,0.0241761232704305,13.733942350147812,6.450470977089053,8.007408366605867,1.8404653731595408,2.568060078166904,5.584284667104638,0.4483692431158811,6.155014023093953,0.3130274094211366,21.80768525315214,-1.9156323529919064,-4.282313679666745,-0.4483692431158811,-5.502586297918955,-0.0008310607599797,-21.80768525315214,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,8.976521289358889,9.72406371936731,10.451681174806032,11.157202865815318,11.837995653993888,12.491584223125406,13.116000333783257,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_37,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166134998201827,0.9192662802463668,2.329667226379982,4.4299218267823335,6.392306173434811,7.650844484988625,8.29953124681243,8.599843622517538,8.712025203525831,3.68692487113377,0.7161593242773071,0.0236121031269374,14.267129759330842,7.045762274754461,8.091789165987615,1.9288318196459533,2.189202291160452,4.817453480217715,0.4378404582320904,5.691925957017175,0.1532441603812315,19.70282062044407,-2.189202291160452,-4.817453480217715,-0.4378404582320904,-5.691925957017175,-0.1532441603812315,-19.70282062044407,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,9.389635605550655,10.201385665414524,10.977227395021796,11.716461993702374,12.418479252038528,13.082967219264614,13.710016360795391,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_38,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1027227931783844,0.7356168449765165,2.267231518288704,4.481475281830582,6.49986768780236,7.784535976735214,8.445190624559748,8.750809308366568,8.864941560888818,3.7077751619141934,0.5289053948701825,0.003809923909136,14.867043756996784,6.600249071802082,8.760616482428752,1.8438782548935,1.1865237196505845,2.601080689472226,0.2276765335347441,3.007935987928538,0.1011184552512024,10.486149268947806,-1.0902416156968568,-2.409059822757257,-0.2276765335347441,-2.91165388397481,-0.0582551182231182,-10.486149268947806,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,7.87126051888728,8.59629460097551,9.31501016150634,10.02493088280663,10.722343344127616,11.403170189892244,12.063580983542172,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_39,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2216120082233948,0.9298494194107256,2.290854063917504,4.28933016121811,6.189521452418885,7.4285827275266465,8.073030180687297,8.372635063894789,8.484749642148909,3.5796583668156394,0.7275561107366656,0.0238553795104139,13.643930477538127,6.524038202680059,7.880350892595607,1.889979866307561,2.565150999916201,5.6409268467795535,0.5093238184854435,6.6397415477997495,0.1865100353025027,23.012231369289875,-2.5280871849382343,-5.567008627378244,-0.5093238184854435,-6.602677732821783,-0.1700166376373073,-23.012231369289875,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,9.074024387748793,9.854446482676886,10.605753926319348,11.326489135941248,12.015343233575123,12.671351020484067,13.293982538214554,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_40,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2277077025008024,0.946183270207906,2.323645786940108,4.378380313431276,6.375696890201169,7.696769424125848,8.388634782650584,8.711271760715242,8.832157611514665,3.643065658260712,0.741508971900885,0.0247815425034248,13.799050398338355,6.900507243196489,7.854858775746997,1.91915097908509,2.288319334095783,4.983275908582808,0.4065377192377732,5.54062108799797,0.2675472633076098,19.572351055234385,-1.7770578582819496,-3.962798002858396,-0.4065377192377732,-5.029359612184136,-0.0170291401588312,-19.572351055234385,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,8.971599680385689,9.78056030685532,10.559945696393894,11.307820424938615,12.022311608600411,12.70194718587615,13.34582891617752,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_41,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1585844224529998,0.7830756212122283,1.96671274726408,3.967812336865297,6.143299274968801,7.653109308823202,8.45860516118115,8.836998833371604,8.979183556366271,3.216513860246078,0.6053142122647333,0.0101296152266796,12.196805113217277,5.219488263102801,7.208147774535621,1.3739745799660696,1.7252931977859678,3.557034886688215,0.1125735465465464,2.62588157015834,0.5602785857531073,10.87793691986077,0.599557732320503,1.0797954566872554,-0.1125735465465464,-0.301030640051869,0.4814771031705249,-10.87793691986077,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0226,6.515515335704048,7.295176083520928,8.072056326073346,8.839544371315274,9.592185586281667,10.325391317265703,11.035365621033582,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_42,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0995607708670217,0.643972026998725,2.087181993879584,4.515348770381459,6.926184275859531,8.511180821771958,9.335947988677695,9.719219592049576,9.862601911972243,3.632285902509103,0.4654373672291629,0.0049443289395221,16.28411152241563,6.46162055684733,9.541438289055554,1.4974434256910578,5.092160150412147,11.204093500795691,0.4819346584272992,3.747223492251259,0.6344775537007991,19.726366134422832,2.0056074873824383,4.683265678944006,0.129878744582028,-3.3794032875592737,-0.4873494718240052,3.805028557152057,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0226,9.864931141732272,10.678234708288173,11.458816940325324,12.20575477577908,12.917674172448857,13.593360425731172,14.232067193722653,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_43,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0978199502046098,0.6355236154521486,2.030181668826343,4.332404554162216,6.615458669134381,8.120608771766799,8.905315384137209,9.27031314546753,9.406914185422416,3.4968896490811767,0.4596330511932724,0.0047788564026286,14.91816076893441,5.8590652392453855,8.83595421538774,1.4102352908624196,5.372479449675168,11.833343712208569,0.5179401906361538,4.005594712872621,0.653476530401056,20.85891585854524,1.9741678185506248,4.6538946904883165,0.1303428989981729,-3.790061430624424,-0.5672632175017768,4.277357781785017,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0226,10.058204001693491,10.859711310251578,11.630268371612578,12.36856340663098,13.072876645163811,13.741715678951843,14.374126904371671,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_44,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0995694165003047,0.6440095004228333,2.0872061429291984,4.515237303190568,6.925802634924804,8.510585180382963,9.335235076191834,9.7184512555521,9.86181271641464,3.6322439805660793,0.4654703929942775,0.0049450863969666,16.277702667218655,6.462972794510068,9.534825580650676,1.4977600098502937,5.095961339502222,11.2126437435713,0.4823883781593966,3.749917341506654,0.634629019359265,19.74029575540857,2.0079448806248013,4.688536082307637,0.1299823304606907,-3.3820889162005905,-0.4874976492368395,3.8049117209300207,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0226,9.853889615061156,10.66676896295257,11.447059585805157,12.193823339908988,12.905675248567473,13.581389105644377,14.220205739213718,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_45,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0978230827577932,0.63558914108718,2.030761803412846,4.334903517342104,6.620043339440456,8.126452366287305,8.911767354355565,9.277036631370985,9.413737420464916,3.498623285631585,0.4596741155498209,0.0047791216502678,14.940635949435674,5.865134943151096,8.849635177304682,1.411096076957335,5.365425240100448,11.817718828061054,0.5166929840024842,3.991091759120965,0.6529707137865929,20.81630494179309,1.979571839751947,4.665383330864403,0.1312925869386166,-3.773935959620679,-0.5661083939864785,4.31451006173696,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0226,10.045315090922765,10.847673439693978,11.619034520202211,12.35807690379231,13.063080386701348,13.732555634577578,14.365553177553682,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_46,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0634735730085123,0.4387232980211158,1.723886335217052,4.1053773237936735,6.525631952602441,8.133071140099913,8.973779657150425,9.365382300276409,9.51202708431724,3.2291421933778826,0.3052000352814687,0.0037927365270453,13.99509544277116,5.187261021348941,8.209012894256883,0.9868206423396712,6.810257685282256,14.877168155598651,0.7206977368309289,7.671326950166434,1.0531658094261285,28.07391365888732,-0.3730848587179868,-0.3026118929548128,-0.1076336581105223,-7.671326950166434,-1.0531658094261285,-0.9176851640634748,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0226,12.974595718032242,13.940755749822056,14.805460954943898,15.58046851675402,16.276245636117302,16.90198813744851,17.46573739373883,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_47,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0755439233885085,0.3973009471747694,1.4061403072131045,3.3998351134291256,5.512967250087541,6.939822338182217,7.690602226636001,8.04112323737003,8.172500178943613,2.652247921028936,0.2914496929605454,0.0057488861403052,11.395662804030378,3.446841315980561,7.049021717425012,0.5470515304588549,5.642278375769855,12.05546215878137,0.7054671638781369,10.615647120336934,1.1019269612850109,27.394380188478568,-4.762419632293711,-10.063353028659332,-0.6216710930708851,-10.615647120336934,-1.1019269612850109,-19.0554588047372,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0226,14.98668491853743,15.707988423627125,16.344932964795873,16.912788776399523,17.42313310560104,17.884827176042645,18.304734732682512,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_48,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0657104494827295,0.407573822954075,1.562935215637997,3.799561364371387,6.158480696730182,7.757150814340477,8.600958713959589,8.995556264190334,9.143559292351448,2.9646817753619024,0.2889370588600463,0.0042589091082851,12.516051703997556,4.281874497467308,7.584616624837063,0.7802557259893321,7.277407812277674,15.93594334852482,0.7747911881214237,7.938364885507851,1.0816864898028478,29.638366410203773,-0.0096064956173347,0.5192586554143422,-0.0826196341537721,-7.938364885507851,-1.0816864898028478,-0.3710123694280763,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0226,14.200079539236048,15.039911718654327,15.787581729316315,16.456376493713307,17.057062181539642,17.598430700999685,18.087748568036385,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_49,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0724198472897285,0.4103723920351922,1.5651075244974486,3.811868829698988,6.139174028583255,7.697789057544141,8.516170877283926,8.898053596083768,9.04116508322443,2.977692818039359,0.2945943901564587,0.0052705827516719,12.716493772816882,4.343084131050405,7.69612901411084,0.8468474765502169,6.653909152625958,14.518675821232188,0.7100817561055112,7.747564948902212,1.0442478075922388,27.67914164281274,-0.633473946130674,-0.8876651265108256,-0.1367069745345317,-7.747564948902212,-1.0442478075922388,-1.958463929588762,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0226,14.314221317560824,15.12707663229257,15.844177753855636,16.48199971660061,17.053288894714193,17.567968145655463,18.033851193436067,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_50,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0634439025614725,0.4381968376769715,1.7216633106184906,4.102032627779792,6.522447907526373,8.130369591527995,8.971410404216709,9.363183099915492,9.509893839110488,3.2260025771788423,0.3048871103253568,0.0037906962406969,13.985174803231452,5.177331264163479,8.209153976335129,0.9849703086176104,6.804788698009204,14.866324636100009,0.7194029709519374,7.643067608292675,1.0515459822884592,28.03141694517261,-0.3512985727609183,-0.254823988998575,-0.1047848637854339,-7.643067608292675,-1.0515459822884592,-0.815157270635385,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0226,13.059641874999455,14.013702236814622,14.868943936713231,15.63639689429304,16.326021820341083,16.94666236759248,17.50611285938666,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_51,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0755416715168495,0.3970814468409602,1.407405657614644,3.4013268325182766,5.512623972549638,6.937883257839834,7.687793189365754,8.037907327432595,8.169132030127143,2.6540178632104188,0.2912091189712391,0.0057553766177903,11.400699885638096,3.453257182919508,7.04874649670959,0.5438062368746446,5.631970444983352,12.031689094972547,0.7045936359175826,10.618923371995123,1.101629603908057,27.367913154515925,-4.779112984551683,-10.100714212679195,-0.6233691158764713,-10.618923371995123,-1.101629603908057,-19.11078315827596,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0226,15.589345415084283,16.23341657175065,16.807203875352617,17.322770029328826,17.789324888241488,18.21396411563565,18.60221896343096,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_52,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0657608125929565,0.407863200434137,1.5630269695143897,3.798941988121957,6.157367028936656,7.755804537925526,8.59951344054712,8.994069457808983,9.142057634980192,2.9642984811174498,0.2891689238170999,0.0042634640260543,12.509626099822889,4.280670305660826,7.580540713613808,0.7812056476136994,7.28033025806438,15.942896333464407,0.7750053255510837,7.934975750020034,1.0815751597764118,29.643198559519785,-0.0019965479697981,0.5361523132204957,-0.0818306864944569,-7.934975750020034,-1.0815751597764118,-0.3460618620741393,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0226,14.09134411480337,14.942897147989596,15.70092579313764,16.378783883458382,16.987365505659092,17.535606797726626,18.030913831730125,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0226_53,RSM0226.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0725178867704548,0.4109569597381207,1.5659474241950744,3.811325884582288,6.13645124800047,7.693431962076676,8.510923678047702,8.892385491381866,9.03533845538472,2.977793149183123,0.2950333493517271,0.005281425955576,12.705942233465766,4.342076924935886,7.69068257252907,0.8492062287451231,6.650633520144914,14.510912318354135,0.7102136235114119,7.7574815842382385,1.0440801829133202,27.677555849602047,-0.6461285573975778,-0.9159696677940168,-0.1383560080116654,-7.7574815842382385,-1.0440801829133202,-2.0223812537056616,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0226,14.21404212088054,15.038466238848995,15.76545812222688,16.41172128862922,16.990228750773287,17.51110529115128,17.98233596330532,"[Cu].[O-]C(=O)c1ccncc1kgm,pcu.cat0","linker [O-]C(=O)c1ccncc1, nodes [Cu], topology kgm,pcu"
RSM0230_0,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0057895712840565,0.2282529484772117,1.3138299904306097,3.298034066462743,5.226343037328211,6.470635423111007,7.112312777320538,7.409334722846575,7.520273413569452,2.579227045816499,0.128965827356589,8.038318226436354e-06,9.452673008086403,3.329650711891848,5.514321704638988,0.4805764001770289,20.168747464998777,43.015770893355786,1.9894758721307249,5.694438872700641,1.400024051237272,56.32485657333335,-20.168747464998777,-43.015770893355786,-1.9894758721307249,5.694438872700641,1.400024051237272,-56.32485657333335,0.0,0.0,0.0,6.0,1.53,0.0,-22.0,-46.6827,-2.0,0.0,0.0,-58.0,RSM0230,19.99353764528741,20.50377396521929,20.909978681299418,21.237884898859683,21.505939903608507,21.7275808358006,21.912746737924,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_1,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0057933156414381,0.2282774439369891,1.3138011290119416,3.297681373573697,5.225608237723255,6.469668441891571,7.111235107051535,7.408208216420302,7.519129072970572,2.5790094057561403,0.128986271370666,8.06121792367221e-06,9.449756795530776,3.3295429012149107,5.511594056454472,0.4802884818488015,20.15972797076589,42.99736510456568,1.989178215937828,5.699588836425873,1.402485449124951,56.34643920525895,-20.15972797076589,-42.99736510456568,-1.989178215937828,5.699588836425873,1.402485449124951,-56.34643920525895,0.0,0.0,0.0,6.0,1.53,0.0,-22.0,-46.6827,-2.0,0.0,0.0,-58.0,RSM0230,19.93567318708184,20.453789163901643,20.866509132475898,21.19982375540648,21.4723945583772,21.697831056863546,21.88620913210077,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_2,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0057768691209016,0.2278538295073321,1.3111907324894196,3.290786745481063,5.2149978382954725,6.456903552749038,7.097421458336064,7.393921822746606,7.504668049520866,2.573627349086633,0.1287347312499286,8.027858548540029e-06,9.42128774080706,3.318471656741774,5.495822310210012,0.4782760777182923,20.167880533083267,43.01411259888727,1.989526225673428,5.695960400671291,1.400672429664871,56.33316916278444,-20.167880533083267,-43.01411259888727,-1.989526225673428,5.695960400671291,1.400672429664871,-56.33316916278444,0.0,0.0,0.0,6.0,1.53,0.0,-22.0,-46.6827,-2.0,0.0,0.0,-58.0,RSM0230,20.110645498225043,20.60257872481777,20.994353724835683,21.31070865083209,21.56938822995968,21.783324818719795,21.96208859365132,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_3,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.005790238298484,0.2282683838403043,1.3138952764395078,3.298175203865388,5.226548281583327,6.470878509716593,7.112574511187999,7.409604909524352,7.520546729834337,2.5793421137333548,0.1289754962653538,8.039892270990821e-06,9.453341113639754,3.329912939723249,5.514698464398508,0.4806266035528642,20.168602891015816,43.01547789991832,1.989472550210844,5.694540261725159,1.400071062847514,56.32531701157761,-20.168602891015816,-43.01547789991832,-1.989472550210844,5.694540261725159,1.400071062847514,-56.32531701157761,0.0,0.0,0.0,6.0,1.53,0.0,-22.0,-46.6827,-2.0,0.0,0.0,-58.0,RSM0230,19.99215534344928,20.50259275676272,20.908960025511213,21.23699888728736,21.505163176982016,21.7268949946633,21.91213715482797,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_4,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0057938299075554,0.2282887092529824,1.3138474977687051,3.2977790072233324,5.225744005963188,6.46982394686508,7.111399548446573,7.408376536201151,7.519298801405518,2.5790900173404148,0.1289934200733065,8.062296694729577e-06,9.450402557328983,3.3297546911867943,5.511952372966874,0.480312760229753,20.159673173478524,42.99725271896818,1.989176006726948,5.699614913971795,1.402498312883088,56.34653866403624,-20.159673173478524,-42.99725271896818,-1.989176006726948,5.699614913971795,1.402498312883088,-56.34653866403624,0.0,0.0,0.0,6.0,1.53,0.0,-22.0,-46.6827,-2.0,0.0,0.0,-58.0,RSM0230,19.935816007952614,20.45391022201449,20.866612847883392,21.19991348030744,21.47247286421079,21.69789993991202,21.88627016057752,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_5,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0057774835191857,0.227864090036186,1.3112145608766872,3.2908228642760933,5.215051637512953,6.456972395010814,7.097499066595585,7.394003704249988,7.504751560808171,2.573658627133629,0.1287417768613356,8.02956994638157e-06,9.421501691622373,3.318558738331693,5.495962951986927,0.4782991921753343,20.16796714731715,43.01428541799597,1.9895262826818747,5.695874527547217,1.4006341836298433,56.33274059528234,-20.16796714731715,-43.01428541799597,-1.9895262826818747,5.695874527547217,1.4006341836298433,-56.33274059528234,0.0,0.0,0.0,6.0,1.53,0.0,-22.0,-46.6827,-2.0,0.0,0.0,-58.0,RSM0230,20.111528003037368,20.60332734689953,20.9949956468282,21.31126444834964,21.569873677085774,21.78375216316338,21.96246746207417,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_6,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418523612571578,0.5039038041611297,1.4478362601385089,3.036086022614113,4.539870256436338,5.500533048554466,5.99392393720662,6.221914700265899,6.3070108643963625,2.46792451752192,0.3940064111525114,0.0204169666759919,8.72211876499055,2.4942886890865688,5.608117476240177,0.3999186555619424,6.944343008549002,14.93141307417488,1.0318727207523744,14.179373832803993,1.0073355553754988,37.94649724210576,6.944343008549002,14.93141307417488,1.0318727207523744,14.179373832803993,0.9932505185606624,37.94649724210576,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0230,3.345937705143429,4.029610207555719,4.730135399467048,5.430821147740903,6.118965574771659,6.785649767621563,7.425196245908427,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_7,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418349378724691,0.5037879808214143,1.4472281213388287,3.034765481018954,4.537987279288004,5.498322204909004,5.991550633505699,6.219467347183169,6.304536016300364,2.4668407211021366,0.3939366755307574,0.0204121843495223,8.715672192014445,2.4913822280659645,5.6043795671141625,0.3991507220980091,6.944366082810827,14.931348927928328,1.0318141354803412,14.18173369721193,1.007863132263418,37.94107855647331,6.944366082810827,14.931348927928328,1.0318141354803412,14.18173369721193,0.9938168376854146,37.94107855647331,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0230,3.341681893056317,4.025225239831278,4.725682060861761,5.426358504650804,6.114544525831846,6.781310766296873,7.420969379150287,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_8,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418001355390521,0.5034633793377544,1.445601441929422,3.0316499642990986,4.534193173803285,5.494391127528541,5.98762548889288,6.2155609127336975,6.300639043908996,2.4641558611400063,0.3937463542543967,0.0204031639661444,8.699826311624259,2.483064496097187,5.597029820541533,0.3980272113493963,6.830216440434861,14.688786418126153,1.0208495799650108,14.183029271707989,1.007131895665631,37.65723859899657,6.830216440434861,14.688786418126153,1.0208495799650108,14.183029271707989,0.995891166882316,37.65723859899657,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0230,3.3653010166314736,4.051255214338538,4.75331346126881,5.454879661758693,6.143373616218833,6.809996826798394,7.449178151817882,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_9,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418337490727977,0.5038662707225152,1.4477841895065335,3.0360536155605136,4.5398679201008845,5.500551914454435,5.99395412415896,6.221950210981198,6.30704837691722,2.4678826123311057,0.3939738120786485,0.0204117346508188,8.721965644390153,2.4942144911938,5.608054100256775,0.3999274188821698,6.944431650410362,14.931607999231051,1.0318835606179928,14.179156460490187,1.0072976364483717,37.94698113757803,6.944431650410362,14.931607999231051,1.0318835606179928,14.179156460490187,0.9932071761764386,37.94698113757803,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0230,3.345992772471634,4.029673423743513,4.730204811964972,5.430894884844609,6.1190419901446,6.785727491978039,7.425274185858583,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_10,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418491581442134,0.5037941086091178,1.4471997056582024,3.034720107397682,4.537940639365587,5.498277722434634,5.991507833534416,6.219425434665411,6.304494451612412,2.4667984818109976,0.3939481166366653,0.0204163809338972,8.71548737984762,2.4912923099146527,5.60429404271552,0.3991486539659259,6.945122920966867,14.932961847450246,1.031888796859885,14.18159141832219,1.0078425996966631,37.94316198001066,6.945122920966867,14.932961847450246,1.031888796859885,14.18159141832219,0.9937756404356208,37.94316198001066,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0230,3.341786528714168,4.025359912448748,4.725841197541498,5.4265364324480405,6.114736011218255,6.781511265001055,7.421175106198081,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_11,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417709171047973,0.5034103127795024,1.4455235444452734,3.0315607869061134,4.534100461755191,5.494296962916499,5.987530675827321,6.215465816179366,6.300543843938259,2.4640690950904225,0.3936988346097884,0.0203949045720211,8.699515391696833,2.4829172490498244,5.596839026629241,0.3979771167272734,6.829793027976678,14.687877037216268,1.0208037031631534,14.18323383928028,1.007174007223234,37.65571785896663,6.829793027976678,14.687877037216268,1.0208037031631534,14.18323383928028,0.9959470188394016,37.65571785896663,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0230,3.365271115155902,4.051233738411903,4.75330025619801,5.45487412100193,6.143374882778557,6.810003942780789,7.449190158223831,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_12,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1548555239372527,0.77721903625919,1.888891929757352,3.516551931819074,5.114542079460483,6.171705171767114,6.724402098734502,6.981849906896301,7.078259695198965,2.931156234819669,0.6003708934987877,0.0094401550200923,9.028375170472655,4.133691979460616,5.417741938068624,1.2414115830069208,1.6485678701086712,3.378693390802294,0.0881388726113859,2.3536788509997586,0.5683523160520102,10.005616802771076,0.7671791439948122,1.4391516667749886,-0.0881388726113859,0.0620681631037247,0.5066551052240401,-10.005616802771076,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0230,6.694424470942577,7.50916004399194,8.314559431186197,9.105682468756967,9.878126065061158,10.627933220592825,11.351700192137804,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_13,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0970692260733264,0.6969573263565271,2.0817393680403,3.9213553722078736,5.475804945593952,6.426132552878701,6.906159665188549,7.126520766757363,7.208557706791517,3.2980482579892203,0.5030686663184821,0.0033522428150404,11.032353255976652,4.989605533500443,6.815848912278896,1.5432607844777793,1.0568116974687911,2.2555765928143106,0.1299012966079401,1.457322994978676,0.1252758328540292,5.96598719344185,0.1335040698327053,0.2237901462044672,-0.054760228919277,-1.0935589722524728,0.0365991572591311,-4.162601568913937,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,7.796854372836977,8.603939183738115,9.400465300139883,10.1815558369081,10.942157325358966,11.677676007912488,12.38435314967192,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_14,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1183050058196178,0.73257430140827,2.003311225336009,3.778888093633414,5.375650522912255,6.379252067298905,6.891569092718439,7.127726093242901,7.215784669726099,3.160918551955042,0.5449471439978698,0.004986727470432,10.59062012674194,4.678812681858076,6.56763032871128,1.4127464120105109,1.6885714026974918,3.5087950129267376,0.1031005336531318,0.9208114934486183,0.3051641099607849,5.727175151128312,1.5943685240920136,3.301496680005695,0.0842599579320361,0.301163025904039,0.2386145511511477,-1.2305233530842803,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,7.434038192708512,8.298520960343634,9.142807508722814,9.96334334676813,10.756574381231676,11.5192348063374,12.248640164376956,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_15,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166443929673423,0.8995498191831868,2.129256150905651,3.7855965726061593,5.26347212016934,6.193764246158264,6.669541929598152,6.889077770189017,6.970975186437798,3.212389540752203,0.7070651512151054,0.0234348976601999,9.904733401143748,4.986345686424716,5.846583489796273,1.642324874527347,4.253112139352839,9.095467108544677,0.5003750156245979,3.8117471387280224,0.2485619924701088,17.939965632391356,1.863694409943096,3.8374291452566056,0.0224914697426491,-3.446471928471805,-0.086014523906092,-5.391169983577424,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,9.2853295924826,10.105527843684657,10.89234774661244,11.643434263503195,12.357378956214532,13.033514227549109,13.671786988385769,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_16,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1548038599325774,0.7771104644013671,1.8887353198065733,3.5160700913828338,5.113377984283988,6.169909648030353,6.722225239866518,6.979484182903924,7.075821464000069,2.930834774873514,0.6002698632834212,0.0094337043167512,9.0240024844255,4.132824034985438,5.414575976524733,1.2411753817915956,1.6500897557747842,3.381900187607821,0.0883053347478493,2.356532433757579,0.5687174386675615,10.016555473830907,0.7670364082962909,1.4386953777073272,-0.0883053347478493,0.0605937303134961,0.5069037043440671,-10.016555473830907,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0230,6.700483481402899,7.513630012448712,8.317750841991474,9.107871118809474,9.879543019104446,10.628765241939169,11.352094717151015,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_17,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0970428677951022,0.6968529433620951,2.081482821967444,3.920876039277811,5.475082947347503,6.425236487747829,6.905168742338346,7.125484805538778,7.207504743312165,3.2976512321319142,0.5029865450984325,0.0033505981402647,11.02913459943088,4.988318356626232,6.813957261539422,1.5428642659617435,1.0607383455345756,2.2638918125438248,0.1302420242153052,1.4579139185899557,0.1254216109591261,5.974250349977798,0.1375890567150889,0.2324537987335256,-0.0543878335485921,-1.0939826136741355,0.0365278197284139,-4.153749773976682,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,7.794782437165535,8.601823220118186,9.3984622733399,10.179762224021133,10.940623403882556,11.676419468677468,12.383370272234842,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_18,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1182464907871641,0.7323893035913638,2.0029530500696366,3.778078796858325,5.374166660503638,6.377235662882347,6.889254465495731,7.125268700790804,7.213273237916657,3.16030322427788,0.544790179774998,0.0049822716465216,10.584543325649983,4.676870607743588,6.563557339875673,1.4122768759995887,1.7015595998706785,3.5364952755677503,0.1043757545811597,0.9219813679650668,0.3050555100381771,5.751560285311918,1.607557506150192,3.329638780226947,0.0855753358370625,0.2976737434553578,0.2376910145439119,-1.1927341152745807,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,7.422673165807376,8.287759780541384,9.132804109938522,9.954159248631631,10.748212279295354,11.511662121359029,12.241804910362289,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_19,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166406065073144,0.89953936538926,2.128992774781152,3.784821261270527,5.262310602595601,6.192406888729366,6.668096598928212,6.887594306648071,6.969477870819783,3.2117880943602373,0.7070647903982668,0.0234311428005807,9.89973995275063,4.984553608661963,5.84366820886382,1.6419114374707444,4.246060213980464,9.080824183081328,0.500070604291468,3.814357263458055,0.2479159992862034,17.934909801169223,1.85257051509764,3.813825639225331,0.021372664514903,-3.451602491250032,-0.0864901256536328,-5.42027134981632,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,9.273986065064268,10.095369191078284,10.88321658326998,11.635205297411956,12.349947345948973,13.02678962153152,13.665690357853974,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_20,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1547614944918864,0.7769321934109361,1.8878008848266328,3.5135377300948964,5.109425012061346,6.165130218167886,6.717045773101448,6.974125290416141,7.070396465562838,2.928873333800156,0.6001417079472178,0.0094294688340626,9.009939391836843,4.127762705964035,5.406413980607987,1.2397813692214017,1.6477155996759918,3.376046374142512,0.0872200734509828,2.345476187283855,0.5696958041352235,9.982979467399616,0.7755148651661629,1.4567233034154392,-0.0872200734509828,0.0777542775582998,0.5086417527195355,-9.982979467399616,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0230,6.707129848809217,7.521641788324821,8.32668340337815,9.117383035325473,9.889375665503438,10.63872492777426,11.362038059820785,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_21,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0970099220679221,0.6967289209034382,2.081133417888496,3.9193216236843993,5.471470081490269,6.419937820855378,6.898909814568548,7.118762437926249,7.20060634160469,3.2966543500825307,0.5028835819429933,0.0033485676679097,11.014789604842122,4.985175247066751,6.8049737547157285,1.5425177640537366,1.0910711203917205,2.3274754119706,0.1321817690630307,1.454039638310212,0.1273851719704541,6.015534079461953,0.1777743912824449,0.3177184681357257,-0.0504775767588243,-1.0839402419823176,0.0373090593954588,-4.054633464160998,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,7.797584342867102,8.605419536228482,9.402557025900594,10.18414965049145,10.9451604683143,11.6810065862295,12.387938126072855,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_22,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1182833157084136,0.7324538448091118,2.00241014165129,3.77615886437411,5.371436908676909,6.374267623364117,6.886237324870546,7.122244001792248,7.210248042534217,3.1588331607256825,0.5448639304564472,0.0049863136620816,10.57372186908028,4.6711875379372,6.560041711235417,1.4116379673678014,1.7469701842184628,3.633348120413209,0.1088729729010387,0.92799406152569,0.3048595109681846,5.842430661409842,1.65233451750283,3.42509741475079,0.0899458395579121,0.284303703147143,0.234612994311226,-1.070779162395019,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,7.4303192945751615,8.29569674540077,9.14070563809326,9.96182911512686,10.755539824053312,11.518591853235897,12.248316190639695,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_23,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166084966886446,0.8994314869593844,2.128154464689715,3.782328454782212,5.2583091501662205,6.187502737085584,6.662745380289476,6.882039909355026,6.963848159616327,3.2098918105070067,0.7069938436671653,0.0234220846706829,9.884799105018748,4.978488485054261,5.836298286706781,1.6407191015264435,4.1634341718227095,8.904463867469817,0.4915287073859472,3.789737381919376,0.2472294440962509,17.729965659859758,1.78104500913436,3.661892630737648,0.0150508748482774,-3.4176336055387786,-0.0816432636068851,-5.572055686238365,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,9.293189234870978,10.114582666470657,10.902162835508657,11.653670456429303,12.367779398841618,13.0438898233767,13.682002538020456,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_24,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1548229177649366,0.7771309267613592,1.88876552846044,3.516388377140963,5.1143477497528975,6.171492645249122,6.72418064929996,6.981624429620272,7.078032729871556,2.931005158219889,0.6002932950106937,0.0094367925358104,9.027661842411314,4.133241266684257,5.417375046262089,1.2412472613746963,1.6485111301054358,3.3785650958587614,0.0881241923288678,2.3535046687363783,0.5683545922802917,10.005039497104535,0.7672692068167571,1.4393464190820129,-0.0881241923288678,0.0622756681858139,0.5066676576500843,-10.005039497104535,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0230,6.694448515835457,7.509182123267848,8.314579983889306,9.105701910104942,9.878144746649117,10.627951414621505,11.351718092055265,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_25,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0970704852022539,0.6969386800658416,2.0816711210711785,3.9212444521983794,5.475664861415969,6.425975211460908,6.905993600710545,7.126350686890988,7.208386129829441,3.2979501241246227,0.5030577865520632,0.0033527303200565,11.03180454757184,4.989286913955352,6.815569189489757,1.5431451457923882,1.0568142354922785,2.2555792761493336,0.1298939324864917,1.457028654226143,0.1252529754332571,5.9651387037170185,0.1337202289556368,0.2242629138771134,-0.0547248688208365,-1.0933538901004358,0.0365822946026826,-4.161081175741294,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,7.796849501218473,8.603937122696939,9.40046537535014,10.181557455452689,10.94215999643831,11.677679343979744,12.384356856520656,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_26,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.118301105617684,0.7325556897644125,2.003318046712386,3.778969454655931,5.375786783540774,6.379415121027948,6.891743931269025,7.127905991548279,7.215966398839243,3.1609745161741656,0.5449311947412795,0.0049867826966903,10.591157109353317,4.679001868665989,6.567898054850725,1.4127857220207587,1.6886404559185362,3.5089151082682,0.103072055022421,0.920116881351692,0.3051631326687813,5.725343335802464,1.5950375614273922,3.302937071589924,0.0843514761241922,0.3019022933814906,0.238635400087485,-1.2271785882837458,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,7.434029004642976,8.298513574832791,9.142802748215844,9.963341570474883,10.756575625753252,11.51923890257563,12.2486468261334,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_27,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166213156704795,0.8995094049004753,2.1292048620293107,3.785540004021303,5.263420514872789,6.19371954435921,6.669501683152324,6.889039768171283,6.970938050644766,3.212333425373825,0.7070274458617705,0.0234292972447146,9.90460078522428,4.986158910649677,5.846549738087298,1.642231791663603,4.262862185638936,9.115877596265646,0.5009636846717044,3.809842320868012,0.2491979859798624,17.951396595195092,1.877183775477515,3.8660681994281103,0.0238280026394201,-3.4425049201739326,-0.0857328426709966,-5.356396099728101,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,9.285372395662783,10.105570422658676,10.892389853001884,11.643475643293533,12.357419386102864,13.033553528391224,13.671825026651112,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_28,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1548038419024216,0.7771066731647642,1.888702662777419,3.5159977509262803,5.113283972417056,6.169807331560255,6.722119879179617,6.9793776495454845,7.075714527790341,2.9307743501925034,0.6002681496484529,0.0094337043159703,9.02361284812456,4.132660715620133,5.414360152529133,1.2411272367712796,1.6500566435893262,3.3818260415946124,0.0882974699103211,2.356436402871895,0.5687174503153981,10.01623261615305,0.7670819444861152,1.438794301533644,-0.0882974699103211,0.0607021852035464,0.5069092213781735,-10.01623261615305,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0230,6.700517087539657,7.513663996928829,8.31778499799821,9.107905289033594,9.87957706710323,10.628799041663514,11.352128150940969,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_29,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0970361647283791,0.6968267403929834,2.081439142917488,3.920827852700016,5.475032478485296,6.425183700797021,6.905114449247897,7.125429744920795,7.207449384828172,3.297603869797493,0.5029653728940537,0.0033500596412416,11.028956786719371,4.988170226481108,6.813887537097625,1.5428059798243197,1.060245643356542,2.2628363834566647,0.1301873560377081,1.457734403973107,0.1254240636200306,5.972945074481572,0.1372015463236372,0.2316298496427115,-0.0544214633688728,-1.0937120336501167,0.0365658911737,-4.154563650429524,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,7.794814304263559,8.601859707011423,9.398503135475996,10.17980685108968,10.94067102158201,11.676469272007648,12.383421504070506,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_30,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1182433621599366,0.7323816212127231,2.0029502388396248,3.778076262802312,5.374160882934111,6.377227387335342,6.889244871642894,7.125258495010886,7.213262803554983,3.160301342205441,0.5447825138608203,0.0049821872046206,10.58458534266668,4.676873719574744,6.563577783325444,1.4122855630819162,1.701567552118729,3.536516461351868,0.1043817526898522,0.9220764582438982,0.3050540207780171,5.751837468209742,1.6074824460399997,3.3294772930001084,0.0855647314741064,0.297562214111285,0.2376851884200394,-1.1931218482747343,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,7.422591442193704,8.2876800158434,9.132726948546118,9.954085083993402,10.748141333146435,11.511594496831904,12.241740627009069,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_31,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166387319197089,0.89951088434314,2.1289425548080656,3.784756434261568,5.2622340238343455,6.192322934483586,6.668008892061164,6.887504875259267,6.969387797419555,3.2117279124933416,0.7070424294467346,0.0234340398188668,9.899492016774897,4.984392262281643,5.843539797761565,1.6418446129448048,4.252460843489018,9.094133066592343,0.5003661124770077,3.812208981843701,0.2484769641084751,17.940084182601108,1.862435460755046,3.834757930566337,0.0223610359302133,-3.4473113100790687,-0.0860975001732134,-5.394632620827805,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,9.273977405261428,10.095377805724628,10.883239432427734,11.635239641421578,12.349990783449533,13.02684008711958,13.665746100219431,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_32,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1547792024913342,0.7769678544005111,1.8878096749737392,3.5135075718923687,5.109369415906357,6.165060559763716,6.716969106951781,6.9740453977746615,7.070315368260238,2.928855075511739,0.6001767520753678,0.0094313386319368,9.00964659923933,4.127741928153493,5.4061902618691615,1.2397955464787969,1.6477086347545282,3.3760258120665405,0.0872136025294108,2.3454174549898155,0.5697048377231198,9.98281522436086,0.7755726094604194,1.4568451373335396,-0.0872136025294108,0.0778637892251325,0.5086553159525322,-9.98281522436086,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0230,6.707165800318057,7.521672384831765,8.326707641518464,9.11740058530363,9.889386679545977,10.63872986875526,11.362037564460245,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_33,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0969995339315802,0.6966931998989622,2.081093312436469,3.9192963472069904,5.471454809469175,6.419926326738619,6.898899603322172,7.118752687159903,7.200596742617284,3.296623929088985,0.5028529312172827,0.0033478814960683,11.014784652867805,4.985063484537894,6.804983835355951,1.5424528234414434,1.0911860488796237,2.3277135320324,0.1321860210303986,1.4539819021208182,0.1273955169955889,6.015573720000108,0.177968376812105,0.3181305573288766,-0.0504575133831051,-1.0838410605493178,0.0373171575037287,-4.054089536465063,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,7.797555755676542,8.60539783573318,9.402541553000113,10.184139521703091,10.945154750023502,11.681004397300752,12.387938688373849,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_34,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1182802121860742,0.7324492450696237,2.0024066946405106,3.776155024397921,5.3714334018293926,6.374264508628349,6.886234410170687,7.122241174525,7.210245246822468,3.158829397074402,0.5448591943882666,0.0049858459335992,10.573731250130862,4.671172643660304,6.560023861079738,1.4116353976731315,1.7466676371752794,3.632710825307425,0.1088533163077762,0.9281569697872276,0.3048606343367597,5.842392918481137,1.651862237538848,3.424086613526676,0.0898922363804898,0.2841718253559728,0.2346256795019643,-1.0724996539627505,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,7.430346918025497,8.29572326786577,9.14073205808125,9.96185604032107,10.755567556017374,11.518620475339784,12.248345643674933,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_35,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165728570940425,0.899373680893201,2.1281037994919494,3.782298015017976,5.258293414156114,6.187493756129853,6.662739144691734,6.882034789191583,6.963843431982573,3.209854510036104,0.7069381670378244,0.0234132826250971,9.884784884414698,4.978340896760996,5.83629625076105,1.6406319348715674,4.160799331245043,8.898895919507279,0.4913176189907938,3.789773226306691,0.2471451048236759,17.72564786544698,1.777956704198694,3.655326810875183,0.0147490935815241,-3.4177510291584525,-0.08159522709271,-5.580046763711349,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0230,9.29320635507286,10.114603788359652,10.902186979004169,11.653696829730908,12.367807357921992,13.04391884244846,13.682032187766202,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_36,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0704423071500686,0.3986172033787121,1.365919929708928,3.0171471479032483,4.613538742908927,5.650683907261008,6.188422235916577,6.438031573738383,6.531376153670094,2.422602664157777,0.2892237758254185,0.0049306093533855,8.085699597237019,2.576142760810292,5.067252612594076,0.4727026496008976,6.320862803099162,13.44628255702698,0.6966623462708248,6.981117731653177,0.9137014245667454,24.7260526372382,0.2298623190509485,0.5375503612268595,-0.0415898340558137,-6.981117731653177,-0.9137014245667454,-1.112773674194154,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,14.654273974896224,15.44636207003499,16.153308243861538,16.787194243157668,17.35800274760202,17.873935744617373,18.34175618910492,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_37,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0632119156712383,0.4150393170449938,1.531524220316502,3.4993902119569538,5.4141583537004525,6.650891111416267,7.288676499611572,7.583859627683062,7.694102864139515,2.786677810960878,0.2932101504543986,0.0038139044897949,10.243441285262708,3.66323974621578,6.0901471741906805,0.8131814394341469,6.973764086798142,14.756540272902722,0.6072932831363238,2.880658559204301,0.8845082630939776,22.3367879242325,4.961504970114432,10.72167858288855,0.5862336225549336,-2.880658559204301,-0.8845082630939776,21.59969980388384,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,13.943035358184725,14.787586368457507,15.553912369206213,16.24910225684102,16.879834610561904,17.452286655179073,17.972117480485764,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_38,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0496629692359552,0.368109829987717,1.4146937596893705,3.221028444020292,4.945805732004395,6.053488382154512,6.624140628403239,6.888233982248778,6.986870006187254,2.57251821519795,0.2554225963879779,0.002370199054983,9.194664096059537,3.0415542741278228,5.660059635278257,0.5781525301740261,6.047638556100319,12.834230066003135,0.5992447146817997,4.58794577178087,0.8130081568888897,21.48308207801821,2.2905621129314766,4.965326902179039,0.2345753522213798,-4.58794577178087,-0.8130081568888897,8.71965439190351,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,13.950622474374091,14.987472380139172,15.895857287284525,16.69343280932614,17.395653532936652,18.015775233488643,18.565072912273795,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_39,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0704350464299291,0.3983025765741529,1.36487433430831,3.015704734983509,4.611815533165205,5.648734219183173,6.186339714946895,6.435884060664176,6.529203819000136,2.4212636392899216,0.2890337072290207,0.004931288795376,8.080420580641702,2.572860126035233,5.064200450341997,0.4715440257163499,6.296124194223391,13.393344421990603,0.693680619367226,6.953727225859277,0.9108418463707616,24.632042278494264,0.2263317035125058,0.5301421829062118,-0.0414350295936363,-6.953727225859277,-0.9108418463707616,-1.097005435135915,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,14.666055950835824,15.456717561205888,16.16258705696043,16.795643862859944,17.365796052648967,17.881193188733214,18.348562241040643,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_40,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0631612331241961,0.4150942374207576,1.531484873455344,3.4977272286718133,5.410482854915282,6.645876988138357,7.282971762063644,7.577835788115106,7.68795996099745,2.785698992097876,0.2932107532647187,0.0038067016055654,10.232558160800329,3.66099841549244,6.08317822139588,0.8127724162937626,7.007526695844341,14.829203236823806,0.6114466638605685,2.9055130892373207,0.8866607302015166,22.44661179473351,4.983922527477749,10.768943420201856,0.5876982584716406,-2.9055130892373207,-0.8866607302015166,21.61541760612103,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,14.056871153820229,14.893719902803396,15.652042783779534,16.339417673436397,16.9627768967355,17.528411557502924,18.042014296843824,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_41,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0496503953737626,0.3680039598495861,1.4136532674311315,3.218177872606224,4.941482957987872,6.048310441805879,6.618537106465712,6.882435599476423,6.980999093490517,2.5702868511500827,0.2553667690683868,0.0023687644709834,9.182016383773188,3.0361844707001024,5.653353060950006,0.577091637684181,6.062031378276037,12.865264531087648,0.601122068795291,4.601468303110253,0.8139756361946073,21.53280141564083,2.2973547890947783,4.979517120398835,0.2348165479417907,-4.601468303110253,-0.8139756361946073,8.71210818576832,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,14.113005022221936,15.134305525667328,16.02823511295935,16.812722267397508,17.503263458513178,18.113042871973867,18.653215102932325,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_42,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0704129560012315,0.3976623964774401,1.3611146753128456,3.0074320945188866,4.599624972335639,5.634025115563877,6.170316873676421,6.419248668672007,6.5123388703006135,2.414520053665072,0.2886863900929102,0.0049297011054827,8.05055446830999,2.558654812074194,5.046280966084674,0.4673268415986832,6.294089445317521,13.389577598185472,0.6944839056161817,6.979744252739768,0.9110396966767528,24.65214421407752,0.1995324713587554,0.4723571073433728,-0.0451217139485541,-6.979744252739768,-0.9110396966767528,-1.2340524706882436,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,14.662753265783149,15.455233037652452,16.162289725206087,16.796110752469943,17.36674483600424,17.882435791555125,18.349973566929403,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_43,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0631424831322117,0.4150105385498643,1.531423764606714,3.4984421610143843,5.412362681851159,6.648595518102865,7.286136715131236,7.581209614275028,7.691412107047407,2.7860589581119,0.2931455337179586,0.0038049264292694,10.236954406036643,3.660914735812249,6.086698408167346,0.8131693396985964,6.980995907334232,14.771872265391536,0.607992730407227,2.8859123020287543,0.8855010717902118,22.362343908682547,4.964371357416827,10.727903234672544,0.5865439960678788,-2.8859123020287543,-0.8855010717902118,21.61163820680536,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,13.850960639875185,14.706232710079409,15.481567091098116,16.184409277644114,16.821698404097482,17.39980877952968,17.92455259137654,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_44,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0496895517646889,0.3680800370550494,1.4149200381794311,3.222279570552615,4.948321398358312,6.056932789143947,6.628094546251411,6.892430269225847,6.991157838583942,2.573359583150218,0.2554120587800669,0.0023735181145676,9.18991530710084,3.0399472591012056,5.6600289480278425,0.5808441210684834,6.119225677453586,12.987102249164758,0.606191461977161,4.596704695797875,0.8175520788445932,21.67525463880573,2.37684455917708,5.149458884970723,0.2434155616859054,-4.596704695797875,-0.8175520788445932,8.978098128611782,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,13.8825357970799,14.926212659668831,15.840798951747672,16.643908054520022,17.351019990439973,17.975445820512498,18.52852564239432,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_45,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0704243525610401,0.3985706557744202,1.365821407844274,3.017009318922398,4.613377772133883,5.650509012493533,6.188240053404671,6.437845971853663,6.531189266230566,2.422475628418926,0.2891852767441044,0.0049280272506672,8.085057034695865,2.5758917107891643,5.066860652081289,0.4726495228151774,6.320965064417779,13.446500140142268,0.6966690439496627,6.981002444413357,0.913701656353686,24.72618436184648,0.2301215643845191,0.5381044863619984,-0.0415603810694328,-6.981002444413357,-0.913701656353686,-1.111845513821859,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,14.65436170269523,15.446433254983209,16.15336806953604,16.787246157110587,17.3580490490804,17.87397796833537,18.341795359212085,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_46,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0632117649581508,0.4150291536542951,1.5314665529677172,3.499274451657549,5.414003984752975,6.650716243871007,7.288491860719058,7.583670602788905,7.693912220333813,2.786580042520345,0.293204743149573,0.0038139044275546,10.242739027068067,3.663000883845656,6.089711184364266,0.8131325957373459,6.973643903007288,14.756282854137856,0.6072799636435585,2.880592804652367,0.8844991809011622,22.33641238453169,4.961410506997232,10.721477794898789,0.5862254773568935,-2.880592804652367,-0.8844991809011622,21.599505364498416,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,13.942985845083598,14.787547905392511,15.553880801068283,16.249074993040598,16.879810056584645,17.452263846184632,17.972095845870342,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_47,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0496806998819176,0.3681698911477862,1.4148079505552025,3.2211756121851014,4.945968541470954,6.05365958612065,6.624316105897496,6.888411453328,6.987048225831658,2.572657025895918,0.2554715949535177,0.0023718910542295,9.195298227271229,3.041934285137596,5.66034054081398,0.5782310261136485,6.04752854575626,12.833997326184516,0.5992410386246418,4.588190952723906,0.8130125032621071,21.48307046594001,2.2901593236163915,4.964464968565278,0.2345277483126232,-4.588190952723906,-0.8130125032621071,8.71810530501936,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,13.950716363366164,14.98756170703532,15.895941419910342,16.693511590132612,17.395727066391064,18.015843761340747,18.565136741367898,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_48,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0704349449103919,0.3982949891140998,1.364837492584843,3.0156398931744763,4.611736106766565,5.648648574634597,6.186251512309962,6.43579479656341,6.529114176691594,2.4212067261795265,0.2890296037541342,0.0049312887743397,8.080067992598842,2.5727171915238385,5.064002067460751,0.4715183600486996,6.296000722155727,13.393076891971855,0.6936635904745215,6.953617588769919,0.9108369384529452,24.631635010723866,0.2262550874202458,0.5299825847299704,-0.0414380095169241,-6.953617588769919,-0.9108369384529452,-1.0969209889767335,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,14.666293171882025,15.45692802739064,16.16277351899924,16.7958090839856,17.365942646790693,17.881323537404146,18.34867846219064,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_49,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0631607207970587,0.4150835143982299,1.5314528477146852,3.497671974206928,5.410401452679278,6.645775527026587,7.282859024103673,7.577717627441945,7.687839742997552,2.7856521407801016,0.2932037560172135,0.0038067005412485,10.232221128064635,3.660863035636624,6.082968858483127,0.8127481765650197,7.007288768850823,14.828697447044938,0.6114220924025152,2.9053180598420307,0.8866298201309445,22.445757416733635,4.983841162121062,10.76876761660074,0.5876909006946733,-2.9053180598420307,-0.8866298201309445,21.615165706959164,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,14.056777811810983,14.893643789090794,15.651978145130093,16.339360923236857,16.96272579385584,17.52836469273164,18.041970773707508,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_50,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0496572818012708,0.3680244409585442,1.413696415324844,3.218245707222652,4.941570716829332,6.048411785993419,6.618645924805391,6.882548001345616,6.981112854752097,2.57034681750998,0.2553838132915106,0.0023694417203802,9.182268524497204,3.036305668777448,5.653512196130296,0.5771527800560255,6.062444166854706,12.866142685433662,0.6011591078743963,4.601504025847013,0.8140086245028385,21.53392262866952,2.297839838482445,4.980555580759551,0.2348692926593187,-4.601504025847013,-0.8140086245028385,8.7137790961418,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,14.112968147519696,15.134259580570982,16.028182068999826,16.812663971492917,17.50320153489152,18.11297868983041,18.653149780397605,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_51,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0703920730393779,0.3976129748307568,1.3610502854534825,3.007345136237352,4.599506122076956,5.633882180667796,6.170160757509506,6.41908630713923,6.512174154830085,2.414442641950833,0.2886421465281898,0.0049268175817258,8.050259866793029,2.558473024608257,5.046134549636819,0.4672387964435715,6.293799329631942,13.388955823719046,0.6944558573541227,6.979804164105486,0.911032498207862,24.651497814056498,0.1990567028473086,0.4713439488144084,-0.0451702541061976,-6.979804164105486,-0.911032498207862,-1.2354160870547188,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,14.662716158837725,15.455204486430729,16.162268522995497,16.7960959241715,17.36673553510977,17.88243125481665,18.34997309829569,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_52,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0631790248386666,0.415066345415404,1.5314269548188053,3.498366028203206,5.412221946354215,6.648416584101401,7.285938762363956,7.581002977745796,7.691202244097898,2.7860095150060014,0.2932040155208776,0.0038096734642832,10.236403082842916,3.6607305364504574,6.086426857363483,0.8131683005649649,6.981337866919325,14.772604939305104,0.6080270141144889,2.8859107977752245,0.885514422012525,22.36318887971261,4.964853042494025,10.728928795019574,0.5865920768268461,-2.8859107977752245,-0.885514422012525,21.612966074645104,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,13.851318120090731,14.706563311325487,15.481867262254765,16.184678425659442,16.821937684528013,17.400020296391368,17.92473888393677,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0230_53,RSM0230.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0496824763595659,0.3680523585600776,1.414885439981573,3.2222589932434853,4.948318544021322,6.056943453610313,6.628112923988189,6.892452396844843,6.991181396406984,2.57333323829437,0.2553891895024269,0.0023729053368777,9.189943800931871,3.0398720918478035,5.660058316223036,0.58079449277387,6.118920242560008,12.986451601765925,0.6061624622927121,4.596634565403114,0.8175269224968718,21.674381687102017,2.3765269247714453,5.148779466336528,0.2433822544404332,-4.596634565403114,-0.8175269224968718,8.977074412272252,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0230,13.88269764472672,14.926348576532206,15.840913366688095,16.644004711674892,17.351101994425154,17.97551571943191,18.52858551711732,"[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Ni], topology pcu"
RSM0065_0,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0009033005999793,0.093158060120663,0.8283360708376425,2.507659697013491,4.329066121173963,5.569758624033417,6.22548682837586,6.53227343128257,6.647361211540947,1.870109990627309,0.0451731825939633,2.487641755597987e-07,6.038099168404489,1.7128959081229151,3.8202908647862,0.1987607504730148,40.33717342025401,97.11929801954332,3.0341957971888904,4.141567740390459,1.6640749477161358,78.70783870195231,-40.33717342025401,-97.11929801954332,-3.0341957971888904,3.389260202234868,1.6640749477161358,-78.70783870195231,-40.0,-96.4116,-3.0,4.0,1.75,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM0065,20.17847122737657,20.34002284111513,20.46695502041296,20.56838759030476,20.65065237699372,20.718248698461945,20.7744399000363,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_1,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0009054484940045,0.0932450521337807,0.8284474877785751,2.50734047462329,4.328379727703969,5.568922292470763,6.224600808467495,6.531370593115322,6.646453075271628,1.8699573263246128,0.0452263294772072,2.5019390988572185e-07,6.03522332905714,1.71278940577649,3.8180315085954177,0.1988287762672809,40.337630411788055,97.12039458772448,3.034375394976745,4.143625117886368,1.6642083323357104,78.71812558943182,-40.337630411788055,-97.12039458772448,-3.034375394976745,3.3873664283979865,1.6642083323357104,-78.71812558943182,-40.0,-96.4116,-3.0,4.0,1.75,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM0065,20.177924496903465,20.33954738856278,20.46653933335095,20.56802212228108,20.650329278631887,20.717961527603425,20.77418336017229,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_2,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0010930515184431,0.0896519586834223,0.6719122143274305,1.90115919625508,3.237774095038092,4.16103067720826,4.653153827907978,4.884333550456891,4.971207470500282,1.4369461549629012,0.0455467316815984,4.1030440166070803e-07,3.576306449999509,0.8994616427875867,2.4225769747247647,0.1126086320501228,41.06922621575782,98.70135131892305,3.152607652230759,5.067280915472816,1.560333681920447,83.33640457736408,-41.06922621575782,-98.70135131892305,-3.152607652230759,1.7099125663961148,1.560333681920447,-83.33640457736408,-40.0,-96.4116,-3.0,4.0,1.75,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM0065,20.12761134358335,20.29441065431781,20.426255531987337,20.53211569286657,20.61829584649324,20.68932205791983,20.74850530231054,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_3,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420542298869538,0.4954174164615869,1.4070210548657578,3.1068312340158872,4.923735868522372,6.173498543048283,6.838440667430178,7.150534037496901,7.267770539619609,2.471438163394723,0.3899504891052911,0.0205031460927817,9.315351504699654,2.4952504724845204,6.026281017734755,0.3358537351697679,6.141324771451403,13.453768894953605,0.962424043090003,12.768602338416024,0.7248791306354495,37.7351739367986,6.141324771451403,13.453768894953605,0.962424043090003,12.768602338416024,0.7087974089691186,37.7351739367986,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0065,3.306785026301916,3.970527748114288,4.656673482457814,5.347861477528005,6.030452172930593,6.694593243745803,7.333797402153952,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_4,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410985966553067,0.4824117005310256,1.2978182936989704,2.7258853036821864,4.18196293721565,5.16228408118778,5.679703919134619,5.921821869956816,6.012667769127318,2.2022787556069163,0.383101003382527,0.020260393651421,7.864945106681095,1.9647204109618792,5.106962123410878,0.1816577962687945,8.461096498349253,19.018980244596644,1.0583241430292545,11.638885534972118,0.7771240411043568,37.06601162791273,8.461096498349253,19.018980244596644,1.0583241430292545,11.638885534972118,0.6977919794901892,37.06601162791273,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0065,3.390424710231088,4.056001179922717,4.743444320764389,5.435284676639938,6.117875121404111,6.781422345079309,7.41953455101439,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_5,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141621078680611,0.4991922396424582,1.4308553005124751,3.1576538155615403,4.981916843224199,6.227307366979277,6.887702200452368,7.197230514980484,7.313439334009255,2.514580585034786,0.391694577006139,0.0203653496726378,9.389686871552255,2.5400221405511645,6.216670158726785,0.460914597563185,4.66287904515082,10.300975933564391,0.7668312462395805,9.738450357391194,0.436181263726545,31.422870668692795,4.66287904515082,10.300975933564391,0.7668312462395805,9.738450357391194,0.420295083861401,31.422870668692795,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0065,3.301985845524453,3.9528333877982527,4.627271142071175,5.308197601008661,5.982120741908752,6.639219918684285,7.272946313722472,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_6,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421877595246423,0.4955525626486724,1.407013967674592,3.1067956120597207,4.923659549457097,6.17336606096227,6.838271067607115,7.150345613873294,7.267574837539934,2.47140656951384,0.3901064672402283,0.0205416841333462,9.315007472655804,2.4950979535825946,6.025990384657987,0.3359710246932886,6.1467631513314505,13.467148112144294,0.9625682172532988,12.763222622618162,0.724756940988509,37.73004571781332,6.1467631513314505,13.467148112144294,0.9625682172532988,12.763222622618162,0.7084956469874139,37.73004571781332,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0065,3.313429652053537,3.977511516620118,4.663864747591891,5.355146605136321,6.037737247105862,6.701803411423352,7.340875006666102,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_7,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411057703233959,0.4825539383125598,1.2983272316758296,2.7266751890922034,4.18289843237929,5.163300134362509,5.680762296200168,5.922900388763532,6.013753922038955,2.2029932546222524,0.3831881127622162,0.0202613235016658,7.86761039019044,1.9660505331722773,5.108572516420634,0.181990770002148,8.461080662285676,19.01874814310976,1.0584176771814342,11.641108815808868,0.7772245489578998,37.071147355200296,8.461080662285676,19.01874814310976,1.0584176771814342,11.641108815808868,0.6979148499989756,37.071147355200296,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0065,3.387501938171987,4.05201129755441,4.738547889476085,5.429654442321287,6.111676155417128,6.774800563332981,7.412611589485052,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_8,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414296277942606,0.4989311103746789,1.4307203235454953,3.1574502363711443,4.981426382918861,6.2265767207918,6.886837411369904,7.196301806071604,7.312486487384059,2.514439310521172,0.391429878484724,0.0203107943760463,9.38823800509243,2.539388472171954,6.216335114733965,0.4609581558703351,4.664315508527396,10.304225693826751,0.7670249737723315,9.74050677863809,0.4362807820674956,31.430179141494182,4.664315508527396,10.304225693826751,0.7670249737723315,9.74050677863809,0.4203806542664763,31.430179141494182,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0065,3.2895463258886526,3.93931976032308,4.613012906094816,5.293493860863047,5.967228449702063,6.624351835103632,7.258274116592842,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_9,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0986796902499834,0.7032553236371607,2.164713061134898,4.312046824242297,6.287066568499182,7.549124407686975,8.199244052589593,8.500201572106992,8.612625023096601,3.558647198405728,0.5070608023558699,0.0035413205572286,13.113717371660655,6.046132061412624,7.790494889742294,1.661416879234168,1.103702487848087,2.452595385052021,0.0761463367273539,0.8958080107455201,0.1925563443052402,4.46257722806685,0.7252384194439536,1.6197655223971683,0.0004535230465272,-0.1392651402878153,0.1441052330484383,-2.7263137398588766,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0065,7.171710617161176,8.005959212591165,8.833080348993517,9.645470897501747,10.436540505787118,11.20090135130332,11.934445859741816,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_10,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1014563647376771,0.7110102987685355,2.1492036511303163,4.26088609561152,6.252911526839606,7.552387931506387,8.22888639259119,8.543544487898476,8.661316418274298,3.5148742029819693,0.5146086111921392,0.0036993565936818,13.061680457204092,5.86093468168356,7.830647971763153,1.645265533395371,1.6257953748900014,3.704716628013222,0.1587429189435597,1.4845939314803311,0.156726246580873,6.849909494234548,0.699840308091036,1.6671043538586252,-0.0264480944162333,-1.011085791881863,0.0539848755404453,-3.8512268049484826,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0065,7.567339308896082,8.358688810625488,9.139806686700965,9.906550738480991,10.654498357855564,11.379464304298,12.077872480573417,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_11,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2184999330801889,0.8996888261447151,2.148801343059616,4.031213223384974,5.919139927883763,7.189695928791959,7.860004201290677,8.173534109971357,8.291148948316545,3.3499041453239267,0.7086918748517717,0.0236516369508401,11.722814411693774,5.492773927755309,6.964424677309097,1.6773302841229143,2.2196347117777595,4.933933419070432,0.4008445022227634,4.982557115824988,0.1515135479541368,17.714213759993353,-1.5807633040116502,-3.429040035370986,-0.3592351009351185,-4.926217326085908,-0.1264423415202464,-16.771067330806734,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0065,9.079920463832783,9.881388817981785,10.656487454096824,11.40106467262186,12.11222974322051,12.788188409958966,13.42807037413976,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_12,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1019694735960516,0.7295252683710038,2.1914815519011395,4.191304165305828,6.005131090993105,7.179420064997736,7.790905115805068,8.07557491996174,8.182175713080067,3.49921183169129,0.5255237932290191,0.0037106330653332,11.940774617475508,5.750430300528202,7.125641922641347,1.7487550452683784,0.9082491735792316,1.972586407579187,0.1563706154658501,2.159214097306033,0.110975978244289,7.668658177213162,-0.6554569810792699,-1.4684302984668882,-0.1563706154658501,-1.9064219048060709,0.001516547418194,-7.668658177213162,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0065,7.859064730580928,8.612400081167845,9.357159122708667,10.090392256645918,10.808231260402671,11.50663511292473,12.181923479778842,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_13,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177130753414465,0.9132399405650512,2.1680294336841253,3.919953439081696,5.59626470650984,6.705509308483927,7.287432567300645,7.559070883246272,7.660894148379948,3.2996427360969323,0.7163900002051271,0.0233805660088209,10.48976138462313,5.406582244904438,6.149925419641153,1.7193137069224993,1.905997791706154,4.174788836484522,0.3623263989634961,4.804608983414124,0.1688070192526832,16.77651693780069,-1.717266197928807,-3.7983919824346697,-0.3623263989634961,-4.615877389636776,-0.0848214600217637,-16.77651693780069,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0065,9.418947491035782,10.199129980251504,10.950364954652004,11.67075065011353,12.358695398943173,13.01306815981954,13.633266040057649,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_14,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.218436855857882,0.9136285226093304,2.162238487809781,3.963678769381516,5.77320258234552,7.004232850063089,7.657946628278739,7.964659009355939,8.079865725751276,3.3144380535356275,0.7172893178596829,0.0235156733740237,11.040004561235335,5.393547552456597,6.609944449496167,1.7029961565710248,1.805843036297592,3.9546806853297336,0.3425743939337465,4.546438187767564,0.1612731625266532,15.880703060162888,-1.6199009030398746,-3.5838469918672056,-0.3425743939337465,-4.360496054509847,-0.0785289132269691,-15.880703060162888,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0065,9.587521440248976,10.377503979680316,11.132588829441458,11.852454999404076,12.536883338327936,13.185812078281389,13.799419258942502,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_15,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1574334519007953,0.7781204695100936,1.8929362420742923,3.540409479485074,5.195204296913798,6.311395057247514,6.900999549462307,7.176940630040567,7.280479802269181,2.944282247622156,0.601813801931813,0.010027411672891,8.399059162125107,4.562307345596755,4.729694171640928,1.2352925304446956,2.013515678166016,4.165042861716571,0.1181027071791245,2.8278157319161,0.6496810231206753,12.017673722788375,0.8936706081011341,1.7007655530951555,-0.1058663068338516,-0.0919390504827726,0.5677841001171554,-11.740315314962189,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0065,6.625531259161782,7.411739711409848,8.19389436285242,8.965468063126592,9.721189847941789,10.45666248636785,11.168253671219924,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_16,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1572706243762313,0.777727900581864,1.8585787572785624,3.478276375834413,5.139858390454455,6.266505325119691,6.861971982734987,7.1406242142174445,7.24516910416407,2.8862721798240014,0.6027317062956113,0.0098401187203555,8.45091922055655,4.229278618773184,4.840160758514823,1.2176763287205212,2.2447167640159824,4.806745567534764,0.0908377143389478,1.8546782477000103,0.6156123937314083,9.51562675267815,1.8598116039206705,3.959741747676704,0.0138566823198854,0.7841285670129762,0.5586566388158709,-7.142553761744595,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0065,6.55840780312767,7.338473877809724,8.11635923988061,8.885685154448746,9.640977054721713,10.377487990665616,11.091211331830742,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_17,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1547840746028227,0.7749415545225209,1.870074501543042,3.478553704287148,5.105704563614887,6.20696506884951,6.789399322765402,7.062115636217938,7.164464079140531,2.895056142186544,0.5989251692536955,0.0094853318097916,8.217358308856614,4.17274616819021,4.67233730150192,1.2427806493975422,1.6724978141389946,3.44149820995542,0.0921174375724086,2.3575637978026016,0.5616488900630292,10.041112034378088,0.7756391494691243,1.4679140816988074,-0.0872542953615653,0.0224891748537106,0.4974746827690299,-9.930880810932305,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0065,6.626646906678735,7.39761029637882,8.170763742132483,8.938572743797696,9.694548904199747,10.43311021880984,11.149602456483231,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_18,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0986916353548758,0.7032742369626922,2.1644761059599915,4.3114728953671975,6.286488071579775,7.548661230606097,8.198867364399202,8.49987023804933,8.612311432732978,3.5581512545652494,0.5070847122691873,0.003543437942818,13.111229026890255,6.044055931391509,7.79027114241808,1.661385362895069,1.0976917979834917,2.4387112874450168,0.0759959351366534,0.8968234734889734,0.1917329559839529,4.455489681264203,0.7168742304862127,1.6007024276537454,-0.0001675783628022,-0.1438544398531851,0.1433382639839728,-2.736713594390244,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0065,7.1761781041853725,8.010547431673741,8.83766874591474,9.64996600794512,10.440875626833671,11.20503300844302,11.938349142461394,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_19,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1013398083727616,0.7107491019762929,2.1489179069384465,4.260649835495077,6.252751941602928,7.552264328430847,8.22877364919296,8.543434711989565,8.66120739976345,3.514612041247529,0.5143640136920618,0.0036894858467937,13.05987728598462,5.860202772797771,7.829380754782563,1.6449098783519858,1.624698922034511,3.701798672220169,0.1585676251091224,1.484696390451259,0.1570630698878105,6.849131588040021,0.6992774517821456,1.665360605013386,-0.0265166689413506,-1.009433402983406,0.0544289595353837,-3.855976581570529,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0065,7.566963877121373,8.358583533357573,9.139979255345509,9.907003541065476,10.655225326589248,11.38045088831114,12.079097294816467,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_20,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2185708825017955,0.8997042520400899,2.148797950159883,4.03144210562902,5.919678557951931,7.190417910068976,7.860809810638505,8.174375508271387,8.292003218255074,3.3500273524528903,0.7087222776813646,0.0236852396800989,11.72346698742161,5.493649395905976,6.964642426186176,1.677686343560588,2.2117329694022745,4.915341577421242,0.4000270031361046,4.977519129165787,0.1513234075929474,17.68803564730041,-1.5848980625875264,-3.4393424332859786,-0.3592992032618555,-4.920873420590527,-0.1261160672769564,-16.764872183484098,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0065,9.080238381581982,9.88159554471903,10.656670193872234,11.401282881333556,12.112520282966852,12.7885708969206,13.428551995328332,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_21,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1019889196299975,0.7294776894367773,2.191207936324847,4.19065426596378,6.004014749725775,7.177957975390599,7.7892541611328445,8.073834477368091,8.180401537262403,3.498709526169265,0.5255065759613993,0.0037144358860374,11.937792877655214,5.748739233542591,7.123965198996752,1.7479088305847097,0.910652797884648,1.9777476282923192,0.1567271130552289,2.16446970232648,0.1113771580801139,7.687806250527819,-0.6566183326676417,-1.4711139925867829,-0.1567271130552289,-1.9104352371094733,0.0016681789414538,-7.687806250527819,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0065,7.861351608330344,8.61490686594113,9.35981565461464,10.09313114746272,10.810994115779218,11.50937486944946,12.1846044182206,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_22,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178263468859455,0.9135247539522356,2.168413374030961,3.920248659007455,5.596372146195169,6.705492193029149,7.287355072878872,7.558966681528439,7.660780192497056,3.299991797263883,0.7166450422089964,0.0233905245540059,10.49087380610498,5.4076538594763965,6.150196736939895,1.7198676480487922,1.90703218051632,4.177160903400735,0.3626262346514691,4.808042057728074,0.1687051303582577,16.787685595610984,-1.7192301659983713,-3.802617955746863,-0.3626262346514691,-4.620240043210125,-0.0851332338977703,-16.787685595610984,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0065,9.42019642946225,10.199197482937477,10.949404395672907,11.66890989875649,12.356114046453628,13.009875125631094,13.629577920300896,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_23,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2183824386602517,0.9137569978599456,2.1624181786766696,3.963433819688375,5.772290907396229,7.002827620358041,7.656275812456538,7.962863454428139,8.07802333507688,3.3143900873258665,0.7173741703986389,0.0234720733518099,11.037114449798429,5.393165444023952,6.608139943457186,1.7030925974920903,1.808365495603064,3.9601369027736872,0.3429871452437089,4.552262657552735,0.1616217482114092,15.901570382889496,-1.6215059568340249,-3.587473581629654,-0.3429871452437089,-4.365403118783696,-0.0784692534591867,-15.901570382889496,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0065,9.588191179506252,10.377372944799085,11.131620057832968,11.850662692708164,12.534319658110917,13.18255391831518,13.79555696449092,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_24,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1572989419748316,0.7778047173751457,1.8922673974544373,3.539388983081436,5.1941858518296415,6.310499424430066,6.900194584963613,7.176182939766469,7.279740563694018,2.9433403576096744,0.6015385163176785,0.0100085222572955,8.396144599459143,4.558883233094713,4.729343402427649,1.2345367798949662,2.013293618555013,4.164336505760891,0.118833793467525,2.838249005662583,0.6491280616534768,12.046356117628829,0.8838845716763081,1.6790131688338632,-0.1070480159082159,-0.1060717012615895,0.5666908388049655,-11.779211826284492,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0065,6.62421285570011,7.410268234874965,8.192417066285643,8.96409153426164,9.719985186701562,10.45567183909066,11.167496858474898,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_25,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1571371026799006,0.7774953123826669,1.858247856491088,3.4780360109502526,5.139810509759645,6.266585883078722,6.862115545819804,7.14079588151996,7.24535107908874,2.885976297109674,0.6025181815085698,0.009815675537748,8.450038488012368,4.228273557579189,4.839759720412974,1.21693699898174,2.2401721351427044,4.7955818955429645,0.0903969595352566,1.8543835970921767,0.6158993598235049,9.50863156493145,1.8560295152585355,3.950256085071617,0.0135684355584227,0.7863025219975514,0.5592059631714249,-7.152082609474717,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0065,6.557399626581278,7.33752863250572,8.115659314848797,8.885377062187917,9.641162502288363,10.37822425529034,11.092517161171404,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_26,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1547650345533678,0.774758607623459,1.869606254596532,3.477939351194654,5.10522120369679,6.206664244492538,6.789215833796733,7.0619910959575,7.164362260134447,2.894454746620103,0.5987900745638538,0.0094891051827426,8.214858864219241,4.170978480372654,4.671655777530337,1.242219285043336,1.670155223220067,3.4362323516002204,0.0918090648654481,2.354058254512914,0.5614333183893839,10.02734746807478,0.7757690218924936,1.468089007496426,-0.0870681754000664,0.0254935380843026,0.4974672293163777,-9.919887306859462,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0065,6.630645982055057,7.401946039725124,8.175382303467616,8.943413023545169,9.699549438275051,10.438213285584084,11.154756321688442,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_27,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692609136180692,0.3499538263785623,1.1357079778791763,2.6478878836840565,4.243759400818412,5.31939747586621,5.885042534136201,6.149086107920319,6.248046534748877,2.082009844393536,0.261483084232933,0.0049442959679374,6.815811769627611,1.92838518976208,4.302625956018301,0.267826196839082,11.922560266727745,27.91144091212795,1.0257549945025064,6.501947531828385,1.0146177989543983,31.90527419543592,6.246309987831473,15.88080537373359,0.3369102745894347,-6.501947531828385,-1.0146177989543983,7.795708998478406,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0065,15.588845952485627,16.277156327106894,16.888868690779464,17.437258332716652,17.932192170213263,18.381176590729755,18.79006654127643,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_28,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0666366768133378,0.3564892110080235,1.1982285988767225,2.8142878351901817,4.51114733107358,5.653666919251096,6.254539550182169,6.535070554877865,6.640218885786471,2.210980482914301,0.2631330587702681,0.0045392345846963,7.4735414442871235,2.0821678246953907,4.849220749379905,0.4060936980417773,9.828150805814287,23.019367364400058,0.7505995148603346,4.117318304483076,0.9305625454620684,25.31897583463654,5.792687354470898,14.631382644953732,0.4209633471610544,-4.117318304483076,-0.9305625454620684,13.781709965161731,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0065,15.332813707876864,16.025259375569316,16.65084401188814,17.21776286415584,17.73292261495988,18.202132199429805,18.63030892996233,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_29,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0631616838769139,0.3549213616043553,1.2939979562306445,3.113094099465842,4.973521885975384,6.202760160678952,6.843062764094455,7.140696561216574,7.252051749368253,2.4394581957278647,0.2579803913649727,0.0040883037182064,8.292872797104438,2.757333450754346,4.9742554588324746,0.4611955226814811,11.920765833295702,28.463262451909458,0.8455095288279885,1.7746514873598402,0.781264816586849,25.219774994140312,10.62615493545066,25.8813552077922,0.8455095288279885,-1.7746514873598402,-0.781264816586849,25.219774994140312,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM0065,14.428804673543944,15.247076564154316,15.98049044101559,16.639940275280416,17.234504332437435,17.77181661647746,18.258366889804,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_30,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0703819916675672,0.352113077836607,1.1207586717719868,2.550225397031392,4.057680572887351,5.085976019933133,5.631320820522989,5.886975411114427,5.982968431387844,2.0180342782369314,0.2636782553561533,0.0051017152554972,6.288377063166537,1.734096918983542,4.0286967703921,0.2599844276880673,11.467435175008015,27.02167312759889,0.9321071318864006,4.790589887645551,0.8995769985902404,28.59864777871762,7.377501281596878,18.40008876439132,0.4812631023589663,-4.790589887645551,-0.8995769985902404,12.819106745257413,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0065,15.591552448512436,16.267585668757736,16.870274788344183,17.411965921178524,17.901914468810848,18.34721440255205,18.75343221996355,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_31,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0658007191597356,0.3660510914983271,1.2619256574652369,2.948640293486536,4.769974700162041,6.029380173638212,6.700791155750848,7.016159479735983,7.134660329773968,2.3158528438534534,0.2667497170530238,0.004421899141489,7.859655068651518,2.358528281221416,4.936821162739922,0.3341519024681385,10.074494476650449,23.21572091071529,0.8883562762649362,7.40141672974111,1.118219541578935,30.486618870626952,2.965409466054654,8.214229163347387,0.0896365194379464,-7.40141672974111,-1.118219541578935,2.5314273816823167,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0065,14.670465995165866,15.43221955830492,16.122146355735843,16.747311180818436,17.314397667347535,17.829469737673914,18.297928992485776,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_32,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0655030546963635,0.3420476780401822,1.129973935711034,2.652045664001114,4.265877386396302,5.35811246661754,5.933612411145034,6.2024739759528345,6.303272172603469,2.081879710060645,0.2542441869151592,0.0044204005618977,6.561067501773927,1.843231914381939,4.148234228002652,0.2767895286195272,12.106797606931982,28.726397808202588,0.9363494460217012,3.5801617240889,0.8488410091798925,27.965210750925976,9.249777661090272,22.74914199455878,0.6653936990799681,-3.5801617240889,-0.8488410091798925,18.48175960796532,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0065,15.657044013118076,16.339084566073833,16.95005353178576,17.50102733080977,18.000285766852734,18.454243452634064,18.868047082780947,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_33,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.068902848683046,0.3491079321697158,1.1344217696032872,2.646497504769448,4.242410621051715,5.318059752607868,5.883698962990235,6.147736761801196,6.246694513505055,2.080619889224144,0.2607430943491924,0.004893716263981,6.811462002086878,1.92601499549688,4.300622287770828,0.2673811901771069,11.914970462648489,27.89345784045848,1.025095511498135,6.4986786792571785,1.0141443134729249,31.8868386999771,6.241104037853363,15.867946967356126,0.3366100760395035,-6.4986786792571785,-1.0141443134729249,7.789848458924999,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0065,15.596215074379808,16.28480027821242,16.89698840021988,17.445945739893297,17.941459590583207,18.39098281160781,18.80033799518928,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_34,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0668749305366552,0.3569797758957404,1.1985198527214076,2.814039661015367,4.510451560352334,5.652717320063078,6.253467139272531,6.533942861487752,6.639070777563859,2.210919976748205,0.2635950959401132,0.0045716634096578,7.469552798496179,2.082220652563544,4.846131933851085,0.4062622543143105,9.827506800251127,23.018417438753048,0.7502018111252259,4.11019474208021,0.930448642680692,25.309050022004424,5.797728595979173,14.642931184426883,0.4216908435920466,-4.11019474208021,-0.930448642680692,13.811166158343148,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0065,15.345034570151816,16.034788043872332,16.657993813686247,17.222817312028713,17.736147317817505,18.203777037186,18.63060642060968,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_35,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0632990503294595,0.3551112038172774,1.293826848836252,3.112766859532925,4.973399082171378,6.202868542856612,6.843311151484268,7.1410137242652745,7.25239519332238,2.4391285516590293,0.2581959690759705,0.004106375168084,8.291058165699663,2.7566988637895187,4.973256880065623,0.4611066361978349,11.925864839829124,28.475826563915813,0.8459413654498121,1.774568454431379,0.7812235485674657,25.22770867085326,10.632571572165864,25.89654713555159,0.8459413654498121,-1.774568454431379,-0.7812235485674657,25.22770867085326,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM0065,14.434566138535152,15.251905901920512,15.984425892745406,16.643042488489737,17.236848861232378,17.773486697680454,18.2594474932033,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_36,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0700741090703988,0.3515071070627478,1.1202914197017615,2.549978858021181,4.057456775157015,5.085713149351995,5.631028715804692,5.886668365584725,5.982655620547916,2.017736715710542,0.2631041286025324,0.0050573968907294,6.287106157516199,1.7338888711510485,4.027775633965766,0.2600155279991695,11.472368439781606,27.03346523875241,0.9325098971456048,4.791931328199577,0.8998331933850382,28.60945907845607,7.381653278547551,18.41019476871918,0.481541731729082,-4.791931328199577,-0.8998331933850382,12.825573288877775,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0065,15.585240914880789,16.263414104848685,16.868085714416022,17.411581444397296,17.90314106173362,18.349850988322423,18.757278620912267,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_37,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0660273367385666,0.3663427878014357,1.2617120982813848,2.948179939292438,4.769617918675991,6.029164771178011,6.700661095763317,7.016070942540175,7.13458757735151,2.315419539788436,0.2670879004937618,0.0044529197017944,7.858108452295823,2.357327494186616,4.936692483704372,0.3340365127259909,10.071566299583044,23.208433124206483,0.8881813972119673,7.402705089538772,1.1182201061721897,30.48339630951053,2.960850217403633,8.203470082521342,0.0892498415620337,-7.402705089538772,-1.1182201061721897,2.520791861762858,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0065,14.671507896958886,15.432376115165855,16.12139891680259,16.74569372877754,17.311980882565976,17.826346219924112,18.29420126783128,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0065_38,RSM0065.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0653305955611211,0.3417535714528391,1.1297237699243414,2.6514904638582566,4.264842898646537,5.356748294254622,5.932080201930611,6.2008651173829925,6.301634910002852,2.081471017876229,0.2539488305747728,0.0043970287965218,6.556990805222036,1.842585289157269,4.145565866293156,0.2771237525754849,12.10771413188659,28.72880922561305,0.9363946619332484,3.57906148306392,0.8487508197445378,27.96495710604601,9.252032460498286,22.7543743885463,0.6655863324956174,-3.57906148306392,-0.8487508197445378,18.48666557572893,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0065,15.667997102015986,16.349269763673473,16.959763800505314,17.510445447737602,18.009517578394377,18.46334273191176,18.87703387041074,[Cd].[O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-]ths.cat0,"linker [O-]C(=O)c1cc(ccc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology ths"
RSM0160_0,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0095235806609759,0.2444846815137343,1.1833197068973278,2.803560014087485,4.47029794520494,5.609844420676406,6.216492683277313,6.501488538689619,6.608599250394031,2.210560579717837,0.1462459454659276,4.003974307884283e-05,6.516785610540858,2.302938353412992,3.9836717354426936,0.4467521868650282,18.3478333050795,39.16517690201013,1.8333990381434264,5.486354190708768,1.3963901630726794,53.099357487704346,-18.3478333050795,-39.16517690201013,-1.8333990381434264,5.486354190251181,1.3963901630726794,-53.099357487704346,0.0,0.0,0.0,6.0,1.53,0.0,-27.0,-57.68546,-3.0,-9.0,0.0,-93.0,RSM0160,18.7595073335973,19.22665758149473,19.608846343818925,19.92450226317414,20.18754836085669,20.408602946877863,20.59583795790844,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_1,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0092715144879643,0.2419886776437036,1.1857049487986528,2.826702302109178,4.512586454564484,5.662607158772727,6.274057393386619,6.56114169351783,6.669011062745595,2.225931843870181,0.1443225958071368,3.783414788919726e-05,6.638646657413115,2.349826917750822,4.034876632926696,0.4415400589472781,18.28091685194486,39.02240430332377,1.8267602819601847,5.4669645899859285,1.3915443957527642,52.909471344475484,-18.28091685194486,-39.02240430332377,-1.8267602819601847,5.466951248676192,1.3915443957527642,-52.909471344475484,0.0,0.0,0.0,6.0,1.53,0.0,-27.0,-57.68546,-3.0,-9.0,0.0,-93.0,RSM0160,18.465138781995915,18.96311348847697,19.3708000956616,19.70773054149358,19.988667894190453,20.22487981499477,20.4250454791288,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_2,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0144225085347261,0.3029779559256216,1.3225027314972024,3.1803537543321703,5.180116439579956,6.561716892644091,7.298116912049168,7.644009224832152,7.773981947342702,2.484793235885946,0.1892246174812664,6.100757561919376e-05,8.157787906380864,3.154704897405724,4.596346177543839,0.5921267891559372,15.882160968018676,33.90364901842947,1.588216096801868,4.764648290405603,1.2149853140534286,46.05826680725416,-15.882160968018676,-33.90364901842947,-1.588216096801868,4.764648290405603,1.2149853140534286,-46.05826680725416,0.0,0.0,0.0,6.0,1.53,0.0,-20.0,-42.694,-2.0,0.0,0.0,-58.0,RSM0160,16.697182040261694,17.304800828978113,17.80546492714318,18.221143906653264,18.568900874157872,18.862009378274493,19.110835314724667,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_3,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1664056073654384,0.7736404147447403,2.495428116665063,5.524054015207105,8.456779969630794,10.344510351565372,11.316340151760697,11.76577265211775,11.933568500860366,4.428754353348212,0.5800258244841086,0.0163882346796005,28.12785698942681,9.90780388075572,16.659449269146794,2.1429374727072976,1.891665505692228,4.118085107449935,0.3350520423396866,4.572081844409721,0.2135685706461285,13.99531543531693,1.891665505692228,4.118085107449935,0.3350520423396866,4.572081844409721,0.2135685706461285,13.99531543531693,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,1.7521354030147058,2.2074069821093603,2.723403426420904,3.2860516387065704,3.881156283191778,4.4959379179848415,5.119737854661167,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_4,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399204495033683,0.5859215039327755,1.8647234459338904,4.1508508092693415,6.472309167110335,8.026186030177234,8.843363313015281,9.225063435842385,9.368171937929864,3.312775812578688,0.4424620863992742,0.0184191843126658,18.91684291670052,5.013555300813135,11.58242806419356,0.5156409306469893,2.0327376619074866,4.40677681878676,0.3421755974835979,4.770142441776271,0.2629890142670852,13.788603514314426,2.0327376619074866,4.40677681878676,0.3421755974835979,4.770142441776271,0.2629890142670852,13.788603514314426,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,2.807193541581281,3.3467449945336707,3.920606052338655,4.51633037779648,5.122377710585311,5.728998006907533,6.328557150415633,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_5,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1710617183988693,0.8281327417150459,2.6108735166546104,5.695477725578431,8.687895622530526,10.619951151248443,11.6163501745879,12.077525528382896,12.249765377014032,4.580265273638541,0.6196816045180231,0.0163576789228304,28.73401028924773,10.661444163983996,16.770269988973254,2.424902059309068,2.365967679841937,5.134953443653337,0.4038620395152023,5.596863995963556,0.2956142934386576,16.44050436685448,2.365967679841937,5.134953443653337,0.4038620395152023,5.596863995963556,0.2956142934386576,16.44050436685448,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,2.645327347980964,3.134216834604082,3.656335489717229,4.204078783865138,4.76932666275537,5.344431598737997,5.922776175009688,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_6,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1464164133817536,0.5946664429715767,1.9574609904983893,4.6217928794355885,7.418201503675902,9.298597521910708,10.286464152353023,10.747389690039634,10.920105015522603,3.626893876264785,0.4510157103189219,0.0201285960199263,22.557897281920376,6.596270644731965,13.233577332529604,0.6507160740049184,2.9463287587148943,6.363856860201599,0.4731723284417353,6.731668039827296,0.4239124672005637,18.390436060099063,2.9463287587148943,6.363856860201599,0.4731723284417353,6.731668039827296,0.4239119238452195,18.390436060099063,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0160,3.2028794932173668,3.677672554105814,4.185881500052213,4.718853344402869,5.267217273916212,5.822184774914702,6.376270085518078,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_7,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1463130847969112,0.6039065775014547,1.9943183327455043,4.693658677138945,7.546852707734963,9.475445213746251,10.490966672568865,10.965243223157485,11.143027585462784,3.683952969751235,0.4558870425547857,0.0200679165456501,22.71487095942925,6.73710680153474,13.22516379443742,0.6834163886085218,2.58332213357279,5.594984306119625,0.4296134945623537,6.02023009007162,0.344053047135478,17.156333951500812,2.58332213357279,5.594984306119625,0.4296134945623537,6.02023009007162,0.344053047135478,17.156333951500812,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,3.17521990658203,3.663037809959526,4.188305240995102,4.739390183888895,5.305025632151835,5.875369503786925,6.4424673291994985,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_8,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1648661621284352,0.7751688949775015,2.523430813406978,5.5331126112457865,8.371538938072813,10.168876701389562,11.086798614987035,11.50978255107072,11.667469725851427,4.45514832641874,0.5791666808301806,0.0162625704011766,27.925554608388666,9.999187451304811,16.48462888293445,2.1833372291450504,1.6930295273888023,3.691761731597474,0.3057858737059946,4.139316517036758,0.1800496264892769,12.939863522475612,1.6930295273888023,3.691761731597474,0.3057858737059946,4.139316517036758,0.1800496264892769,12.939863522475612,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,1.7634153521809677,2.2192201591163143,2.735109432411873,3.2970204691005094,3.890838594931138,4.503895264446786,5.12564720569458,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_9,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398462673459876,0.5727504334697875,1.6984697592999052,3.581833193125925,5.455768786828632,6.70384686469277,7.35926222130094,7.66525004887406,7.779950707362387,2.8990856865382004,0.4366923898678709,0.0184369420101942,16.669420024245337,3.956142744231701,10.211515378654136,0.1894459572065638,4.439819385376769,9.539317014059836,0.6641673920075217,9.753158521436944,0.7304057664785585,24.29262051364268,4.439819385376769,9.539317014059836,0.6641673920075217,9.753158521436944,0.7304057664785585,24.29262051364268,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,2.818017029345017,3.3526538367843712,3.921599434727528,4.512700466177205,5.11458925520425,5.717591051297876,6.314079675562158,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_10,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1698553284939613,0.823717496699455,2.5881318446580144,5.588701394354483,8.442430142398152,10.26198402896031,11.194668866476665,11.625188473277612,11.785799875392614,4.511575758321526,0.6162431974720927,0.0163414853962335,27.71813965857676,10.281404502774068,16.15027959782378,2.3037782761711347,2.5160544961492146,5.460091861163429,0.4288984362598242,5.947241986227808,0.31545968279923,17.44261805744162,2.5160544961492146,5.460091861163429,0.4288984362598242,5.947241986227808,0.31545968279923,17.44261805744162,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,2.6871389532844434,3.1766941156714346,3.698668962477479,4.245539478543504,4.809275733173381,5.382317944742351,5.958131758079056,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_11,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1458475181114783,0.5971926113486706,1.9993310294141289,4.68075917818032,7.410631579946185,9.216699971418462,10.158957625342484,10.597337230452675,10.761415187604944,3.690931699260239,0.4513022078185834,0.0200170290781587,22.598519928111592,6.643136773913019,13.508210316737276,0.7672751721892712,1.6134362125315993,3.511641285494079,0.2850455136532957,3.8938003217579658,0.1835187764766321,11.886004893072704,1.6134362125315993,3.511641285494079,0.2850455136532957,3.8938003217579658,0.1835187764766321,11.886004893072704,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,3.198038357626213,3.676694984295184,4.188469122266623,4.724497478251941,5.275309485510706,5.832100943810233,6.387426398490435,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_12,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.146518657783637,0.6058349753882415,1.981616307696552,4.598459091188014,7.364335629254654,9.240727594325298,10.230953769896862,10.693902591106385,10.867517600277695,3.621471248947082,0.4568978553800243,0.0201734238427102,22.36442281334737,6.381358155233707,13.207940755487847,0.6239914562674819,1.2709939038926077,2.7830464208267625,0.2407733471048196,3.197180680731165,0.1141422614106735,10.499164777874336,1.2709939038926077,2.7830464208267625,0.2407733471048196,3.197180680731165,0.1141422614106735,10.499164777874336,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,3.168063169585976,3.657810379273037,4.18451625846074,4.736536804093348,5.302637639113196,5.87302813528739,6.439810382147558,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_13,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1663307546320704,0.7740409678233058,2.4993056948988586,5.532777720766569,8.469066266789897,10.35870826760628,11.331426187918831,11.781249136477207,11.949187590742202,4.4359040070220965,0.5801372143011664,0.0163869797339522,28.1815698192182,9.93834385556819,16.67994485656493,2.146271984763844,1.888024592908145,4.110431810308484,0.3346717911971019,4.56539892248496,0.2126613353495584,13.986902419256404,1.888024592908145,4.110431810308484,0.3346717911971019,4.56539892248496,0.2126613353495584,13.986902419256404,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,1.761707627685832,2.216585355877632,2.732126396240252,3.294322031630464,3.889019364472182,4.503462872505694,5.127003996010518,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_14,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399835045018866,0.586605058322012,1.8722338945309185,4.171237879327516,6.503040718522945,8.063018508010888,8.883273571537526,9.266392737663232,9.410030995115344,3.328806225792826,0.4427973281343344,0.0184341920197576,19.02594281995032,5.061410311786808,11.64496677289905,0.5281456473125234,2.0378293971016928,4.418084093870916,0.3432935041960355,4.784177430669977,0.2631587613426867,13.84139830821402,2.0378293971016928,4.418084093870916,0.3432935041960355,4.784177430669977,0.2631587613426867,13.84139830821402,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,2.819677539125612,3.35893551919818,3.9324865683981343,4.527902314059915,5.133654215719397,5.739999187162696,6.339306636407982,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_15,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1710170285362636,0.827814434516174,2.610440874962165,5.696495890028242,8.691434671400613,10.625650227709649,11.62332304512713,12.085124193755265,12.257603591664658,4.580608549466466,0.6194537348504542,0.0163650187064277,28.75124071887672,10.657879336457668,16.782280107739098,2.420371905422684,2.3732246664235226,5.150614124172471,0.405014025752145,5.613336872440682,0.2966836782731953,16.484858470532537,2.3732246664235226,5.150614124172471,0.405014025752145,5.613336872440682,0.2966836782731953,16.484858470532537,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,2.666437585409639,3.1557313076374167,3.678113198973044,4.225988658746501,4.791251874034155,5.366272195488788,5.944449857779417,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_16,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1464069854734152,0.593729916814518,1.948159931610149,4.594311795261478,7.374679728112221,9.246312747419092,10.230182518520834,10.689378041328746,10.861466554951068,3.6059724019596286,0.4505782615963609,0.0201305200845972,22.4054133956188,6.5225813848399845,13.154286970108164,0.6355742669871107,2.9420023493912653,6.354221619261913,0.4721964226626687,6.719573729339294,0.4238227527900554,18.343737840010483,2.9420023493912653,6.354221619261913,0.4721964226626687,6.719573729339294,0.4238227527713665,18.343737840010483,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0160,3.218374939107058,3.693438985410913,4.201931315059865,4.73515305773573,5.283702102978349,5.838773172494912,6.3928754257701685,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_17,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1462741398237952,0.6034438024900077,1.9899658987054791,4.680142493284663,7.522353515689255,9.44296090098324,10.454143842782685,10.92636787703142,11.103378895988657,3.674015977299998,0.455650307607629,0.0200602775154913,22.61601190107297,6.697220284750776,13.175021886661334,0.6774991295204573,2.581752299723404,5.591600689849258,0.4293682805170544,6.016698543859838,0.3438142474074372,17.147018137576794,2.581752299723404,5.591600689849258,0.4293682805170544,6.016698543859838,0.3438142474074372,17.147018137576794,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,3.187629302935433,3.675153616837984,4.200242540011781,4.7512184332832295,5.316779894354005,5.887061066312902,6.454092491028789,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_18,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1648278140520812,0.7751697190396303,2.5245304055562845,5.535693322815927,8.374941368339792,10.172556426691992,11.090551932079102,11.513554709978044,11.671246503903058,4.457279693062935,0.5790986789556041,0.0162699734232589,27.940120663266068,10.008135444171426,16.489619530790964,2.184476303237946,1.6949341112693288,3.695900744625969,0.3061162353575449,4.143863994129688,0.1802777382194543,12.953465918681504,1.6949341112693288,3.695900744625969,0.3061162353575449,4.143863994129688,0.1802777382194543,12.953465918681504,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,1.762786840042229,2.2188013979534573,2.734870674034413,3.2969148446490992,3.890806265216293,4.503867831225875,5.125552427702505,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_19,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398363170209124,0.5727212538755325,1.6978222377222614,3.5796720132735453,5.452021893016618,6.698954787302074,7.353731706037901,7.65941213424754,7.773996001793253,2.8974813288243504,0.4366796682035778,0.0184336562365047,16.660120036872065,3.9509060497553135,10.206856072069762,0.1881437371369861,4.432560381398082,9.52366655511874,0.6630292222941355,9.736794159751163,0.729309577920642,24.24924365359908,4.432560381398082,9.52366655511874,0.6630292222941355,9.736794159751163,0.729309577920642,24.24924365359908,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,2.8171203555149265,3.3521163073259226,3.921420657703862,4.512850860801055,5.1150263039818045,5.718268981461771,6.314954742743844,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_20,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1697491391240678,0.8235452226170268,2.588432678876494,5.589205065560519,8.442328765982664,10.261212198334704,11.19349152026523,11.623812448612147,11.78434805617198,4.512119536392495,0.616048957218455,0.0163320948722272,27.71822591849461,10.28295689462331,16.147225953525183,2.3023285914931018,2.518006219863599,5.464332744997564,0.4292364190576177,5.95189757232454,0.3156944821062681,17.456518234715247,2.518006219863599,5.464332744997564,0.4292364190576177,5.95189757232454,0.3156944821062681,17.456518234715247,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,2.6819973818175225,3.171889079321403,3.694231560654272,4.241446684948754,4.805473523284924,5.378736228894304,5.954694267860384,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_21,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1459105806653477,0.5977067718076349,2.003157706264737,4.691662449678459,7.429951743575902,9.242187864451894,10.18781822745806,10.627798963583125,10.792481122492564,3.699094521207407,0.4515830158482679,0.0200335495843074,22.69294527376538,6.678844698552829,13.550711094699633,0.7664837541264732,1.6029233349299832,3.48891415246619,0.2833376974506352,3.8696249145350654,0.1820427013239011,11.819022146894556,1.6029233349299832,3.48891415246619,0.2833376974506352,3.8696249145350654,0.1820427013239011,11.819022146894556,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,3.1886163689484874,3.6679178229882567,4.180367820373251,4.7170605733037165,5.268502769629432,5.825879532784988,6.381741788457391,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_22,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1465001094401477,0.6060690853515521,1.9874849367459468,4.616986692681016,7.391798303206314,9.271970998591062,10.263602989481903,10.727087238792246,10.900884285388472,3.6356950281961296,0.4569467212266316,0.0201678384873546,22.464739356601363,6.428244262149254,13.261988788871228,0.6314802414167731,1.2709124759272026,2.7829624133803965,0.2408493778091188,3.197707498400154,0.1139634683955071,10.50489406700231,1.2709124759272026,2.7829624133803965,0.2408493778091188,3.197707498400154,0.1139634683955071,10.50489406700231,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0160,3.1640645307192763,3.6543501037815,4.18155988473147,4.7340383314364285,5.300547430867113,5.871297722158109,6.438395068481365,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_23,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1839204269973476,1.0653389506200248,3.2049446371556987,6.2330540300070325,8.946610153081187,10.66758023676002,11.552690698573354,11.96230964520352,12.115316015838896,5.184082856181611,0.7787456042727303,0.015427654186418,28.53477737833732,14.39716785354221,15.316962147674715,3.2508715290669987,1.8746880677035933,4.120184784054386,0.369929133790869,4.834121138030548,0.1406190642702197,16.77202301433535,-1.8246032702050965,-4.020298168163257,-0.369929133790869,-4.784036340532048,-0.1183313293833882,-16.77202301433535,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0160,6.868022911608328,7.670720957226749,8.486104970225737,9.30068299618436,10.102386831150076,10.881475046788314,11.630742505806293,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_24,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2960184284994681,1.2456538628739748,3.1757818397806896,6.018557598377096,8.705559531168088,10.447801123472235,11.350819166316253,11.769914322852072,11.926627107575646,5.010762445732307,0.9671588538601718,0.0333049587064012,27.34782652014509,13.763658648946889,14.670363106890752,3.148702602048047,2.7766080446790085,6.110070385934482,0.5553216089358017,7.219180916165422,0.1943625631275303,24.98947240211108,-2.7766080446790085,-6.110070385934482,-0.5553216089358017,-7.219180916165422,-0.1943625631275303,-24.98947240211108,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0160,9.148575523915463,9.9096427640939,10.651557838190207,11.37071436004213,12.063075272861017,12.725160832384548,13.354478301802525,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_25,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3200967497819525,1.249231653128843,3.1126165433415256,5.960498006133487,8.73360309665259,10.558836994598469,11.511179495055869,11.954427162374008,12.120363159756264,4.938333014396811,0.9814136229976874,0.0409716934619263,27.16076747167824,13.620222188234706,14.107067217550204,3.018123287851495,2.8051845789195,6.172954535510466,0.5610369157839002,7.293479905190701,0.1963629205243648,25.246661210275505,-2.8051845789195,-6.172954535510466,-0.5610369157839002,-7.293479905190701,-0.1963629205243648,-25.246661210275505,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0160,9.518873688570658,10.293409319063118,11.047448584346748,11.775243816140907,12.47184600785057,13.133661219520151,13.758541248894556,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_26,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1545366297770515,0.8097522089609964,2.2382805302200706,4.502184854555404,6.707771778544195,8.156725769789457,8.91247181997946,9.264230889740006,9.395924123808095,3.6877567415100194,0.6135793540329314,0.0096823964409443,16.562133416878716,7.232435011769402,9.35121542054198,1.7129231329451642,2.2331881698572618,4.644269445288356,0.1847805731598399,3.7114327551359807,0.6473051609117815,14.861552312483106,0.3853824382588617,0.578076847008034,-0.1847805731598399,-1.092862147019858,0.5179587596998936,-14.861552312483106,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0160,5.913414161627308,6.720595758837641,7.52784707661493,8.326614560412164,9.1100343279587,9.872526079208962,10.609643191596954,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_27,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1850059775728463,1.0626305132977227,3.181891306913404,6.187139600783066,8.864625159083465,10.550581950713283,11.413917645086402,11.81261428763975,11.961405968699754,5.146992899436485,0.7784625621271279,0.0155349067863382,28.20766099912642,14.131467404277888,15.30733452760844,3.2029142122962453,1.872812968956636,4.119148648151743,0.3725512880700247,4.853223273516834,0.1348681060544066,16.815090606183674,-1.8526999117436107,-4.079036172498946,-0.3725512880700247,-4.833110216303808,-0.1259177955946103,-16.815090606183674,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0160,6.722737402307821,7.513381706271089,8.318660374127163,9.124320970720415,9.917963589824964,10.68972583996931,11.432367594151794,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_28,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2965610229744941,1.246665484170148,3.152345788885341,5.886126783034967,8.419117536978344,10.043135579198246,10.880269175187353,11.267824197821744,11.412593539674235,4.924738257785677,0.9682461185736684,0.0334824077813736,26.30258726438464,13.374738642591844,14.08126460775137,3.0885763200848166,2.778294301557905,6.11378108188185,0.555658860311581,7.223565184050553,0.1944806011090531,25.004648714021144,-2.778294301557905,-6.11378108188185,-0.555658860311581,-7.223565184050553,-0.1944806011090531,-25.004648714021144,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0160,8.917771109240297,9.66911905359066,10.402511730325372,11.11406830636996,11.799603779076998,12.4555489842229,13.079346938271328,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_29,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3198242365313753,1.248674602687261,3.109268860244665,5.915679230563982,8.606966291820102,10.362624261279208,11.27489025843901,11.698724322257362,11.857276506622595,4.914130143972156,0.9807953564213198,0.0409593106071769,26.643198466182,13.411291440745014,13.921762828710126,3.020825782497074,2.8039851067575765,6.1703150346456,0.5607970213515153,7.2903612775697,0.1962789574730302,25.23586596081819,-2.8039851067575765,-6.1703150346456,-0.5607970213515153,-7.2903612775697,-0.1962789574730302,-25.23586596081819,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0160,9.2095203962402,9.975628578051342,10.722222426697115,11.443418664151562,12.13417999355531,12.790838628397765,13.411176555628405,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_30,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1518280004586027,0.8166707653412175,2.233017978169396,4.317798203455858,6.291414556264332,7.583524973044532,8.25814416654712,8.57243362689699,8.690153128557267,3.580146283355954,0.6159002693859974,0.009158991518713,15.011714748982694,6.760369510010181,8.436754745407512,1.7631375919981729,2.6218904860395726,5.513463377569453,0.269098681478118,4.452805156054237,0.6110599496403879,17.525801714329383,0.1202417782056149,0.0084553102480221,-0.2312310600886734,-2.127216727092941,0.423826901247389,-16.616978800982714,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0160,6.143183911945025,6.891832187723044,7.64758427943144,8.402344812366975,9.14909815426684,9.881741743994649,10.59511105533404,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_31,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1839965858732411,1.065582177766996,3.2056099380370133,6.233793304494981,8.94695249293864,10.66746044423825,11.55227063503222,11.961736460611617,12.114683360889906,5.184863700032008,0.7789305580853298,0.0154416364690631,28.535270503989945,14.398499774532803,15.317299046606127,3.251269749385008,1.874573217812322,4.119869879220127,0.36984586209263,4.833340114553362,0.140724090502802,16.76978333091421,-1.8238854031139773,-4.018780635976484,-0.36984586209263,-4.782652299855017,-0.1181680129620387,-16.76978333091421,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0160,7.017721735883214,7.819955853181516,8.634778398436763,9.448780541468013,10.24994194195956,11.028544768319689,11.777392284811654,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_32,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2961881309110302,1.245992228965343,3.177066082702151,6.024898487294094,8.71843608164783,10.465010570759429,11.370223951101131,11.790320819953552,11.947405092063574,5.014940550921503,0.9674642434682196,0.0333424652801433,27.405830758823985,13.78010063847299,14.706423782286684,3.1508361372680387,2.7759271824902347,6.108572113283252,0.5551854364980471,7.217410674474611,0.1943149027743162,24.98334464241212,-2.7759271824902347,-6.108572113283252,-0.5551854364980471,-7.217410674474611,-0.1943149027743162,-24.98334464241212,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0160,9.251486619745323,10.012146130375958,10.753641964656646,11.472376564321134,12.164322598755218,12.826008390727356,13.454946888788328,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_33,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3200700283107454,1.249057585096861,3.1100895181839863,5.949827452821044,8.713682306383511,10.53290881065072,11.48219481476774,11.924040484715915,12.089455068929318,4.930911012166725,0.981316920841706,0.0409659720035922,27.070869189662343,13.58665317628623,14.06004135401428,3.0137479748046827,2.805028028918501,6.172610039092666,0.5610056057837002,7.293072875188102,0.1963519620242948,25.245252260266508,-2.805028028918501,-6.172610039092666,-0.5610056057837002,-7.293072875188102,-0.1963519620242948,-25.245252260266508,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0160,9.57751327074901,10.350189235828886,11.10260407787102,11.828977203606314,12.524330889459454,13.185046256638406,13.808953704333344,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_34,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1548177667847914,0.8102957008717552,2.237718994803673,4.498918138297828,6.702389899079051,8.1503536982624,8.905699707365144,9.25729780470122,9.388934732507922,3.685441175830909,0.6141227301119913,0.0097200387465973,16.536096084782937,7.223990907547622,9.340258178385712,1.7128772240652668,2.2339178227367804,4.6460150965738105,0.1850623047290658,3.714416260569306,0.6471016097508685,14.870835208265214,0.3832947754461216,0.5736228486122587,-0.1850623047290658,-1.097203662386405,0.5175579964405227,-14.870835208265214,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0160,6.148354012767745,6.963638427734966,7.777081895348789,8.580560772151207,9.367553778863805,10.132754253432244,10.871931891044284,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_35,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1850581476837089,1.0627772777246,3.1824276245673992,6.189028432871952,8.869371614118023,10.55799403253596,11.42293699552006,11.82242821808673,11.971524656717198,5.148224033433206,0.7785667436258464,0.0155522274704481,28.2296222915971,14.137477694805622,15.320043829757322,3.203608535086478,1.87348062188426,4.12062179752768,0.3726886444096638,4.854989777161571,0.1349076684703756,16.821175997614578,-1.853405822212379,-4.080585620802066,-0.3726886444096638,-4.83491497748969,-0.1259743826163888,-16.821175997614578,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0160,6.7203906045519375,7.512839192659037,8.31981219576253,9.127003396533912,9.922002843937202,10.694957730443113,11.438644942262655,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_36,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2965635141984279,1.2467306574432726,3.152439706461504,5.885370592674192,8.416777378775466,10.039444253317876,10.875786608044054,11.26295423295156,11.407575491877145,4.924395707920786,0.9682866858084108,0.033481464079523,26.29315097083147,13.373234794080403,14.074492297343866,3.0884823026628063,2.77804322469552,6.1132285741901775,0.5556086449391041,7.222912384208353,0.1944630257286862,25.002389022259685,-2.77804322469552,-6.1132285741901775,-0.5556086449391041,-7.222912384208353,-0.1944630257286862,-25.002389022259685,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0160,8.928755512009408,9.67988815410999,10.41317458949144,11.124686412891151,11.810210424011332,12.466160775174602,13.089970729102811,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_37,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.319884491391668,1.2488900810461814,3.111604630352241,5.924795819803887,8.622691858914244,10.382006408107154,11.295933194699938,11.720482983907816,11.87929388444247,4.920651817817511,0.9809443680426354,0.0409710560457952,26.712805652385647,13.437334845031724,13.955202822439974,3.02386126461846,2.8039484280502083,6.170234321242742,0.5607896856100416,7.290265912930541,0.1962763899635143,25.235535852451868,-2.8039484280502083,-6.170234321242742,-0.5607896856100416,-7.290265912930541,-0.1962763899635143,-25.235535852451868,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0160,9.207503980430314,9.974034465246897,10.721073281028024,11.442715089057009,12.133911983712606,12.79099101829623,13.411731618460994,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_38,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1518793564448831,0.8164879814049318,2.2331611540149314,4.323017326048461,6.304185967498653,7.602035283082264,8.27983962068318,8.595652582022804,8.713948926946188,3.5831006962973166,0.6158224841958235,0.0091696881689524,15.054226838382382,6.772422029969287,8.457324260903631,1.7618250800636035,2.609529252019296,5.486509697117707,0.2671735771790673,4.439476434042047,0.6114611260786339,17.468793497448463,0.1186413834108499,0.0051814160756542,-0.2310039965426218,-2.1091711856128024,0.4255247094723802,-16.60072356217377,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0160,6.09795130488293,6.847622799794331,7.604523887149808,8.36047243027396,9.10843658966394,9.842323558897473,10.556982231475647,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_39,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0688364369013131,0.3883412601069423,1.3240901579436692,3.1344372834246106,5.054966475829974,6.3497440774127325,7.029936114008824,7.347218260569336,7.466089616792296,2.455241595286034,0.2839649069408112,0.0046345901115897,10.932410771325667,2.90572677723978,6.950479403437853,0.3879042062396151,6.936997930868704,14.772303281364245,0.7545493773676675,6.548247132080581,0.8968830679995085,25.68978550952228,1.6298631594372464,3.515375088111869,0.1021367316629276,-6.548247132080581,-0.8968830679995085,2.8553429098563816,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0160,13.660314613154684,14.50489494433604,15.258263248600995,15.93279097429219,16.538865795557868,17.085174055626595,17.57899823973771,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_40,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0691814632588612,0.4165420757321248,1.5824990783483583,3.874003792761708,6.240657805292073,7.810988834766912,8.630338544411972,9.01145951894262,9.154088851610886,3.021804171528246,0.2980327489311542,0.0045782740316633,14.370431444439916,4.4922645682291975,8.608030083848464,0.7691126763729099,6.24048625617515,13.26579788391786,0.6421378211375112,5.013648694910668,0.8050925269677839,22.292915098365352,2.244767250977612,4.847672777801137,0.2063875295777652,-5.013648694910668,-0.8050925269677839,7.041654893774249,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0160,12.87818948435495,13.727242716421582,14.494589409472502,15.189153027465697,15.818764226664578,16.390291882670045,16.909773839760533,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_41,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.066858653393256,0.3667054587633287,1.2172698882022484,2.791493716540664,4.447960259331073,5.570411807141905,6.1626440170866585,6.439525932178884,6.543364613229751,2.2051829551919626,0.2693004754608804,0.0045254283536124,9.429796805614028,2.205621505577563,6.096686846594389,0.1918144062901697,5.117818413728807,10.914511662587268,0.6099253012245915,6.817883484872626,0.750179215449092,21.13801979452996,-0.8787019621915885,-1.8652697734907675,-0.1860136560708695,-6.817883484872626,-0.750179215449092,-6.719843710811177,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0160,13.81938674577418,14.667898731500385,15.420821605723164,16.092669392736116,16.69511018374842,17.237575640138026,17.72776388560531,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_42,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0641354642632223,0.3749253479101385,1.3515989237660986,3.3390640965556706,5.496183423620673,6.967184286831707,7.74420764134615,8.107555700774357,8.243826036083084,2.5860172937367683,0.2717409846663054,0.0040809308256316,11.868835862999134,3.170692014321461,7.380822886135997,0.3263844063802278,6.7022099613673545,14.265140685545996,0.7286411512542782,6.5975448787357065,0.9002700962250194,25.203737797104555,1.2095157621871422,2.624020216525785,0.0625314211011716,-6.5975448787357065,-0.9002700962250194,1.889897241745827,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0160,13.95155298611916,14.769832735618436,15.50430989956458,16.165619585597643,16.76253807776999,17.30245621933589,17.791695736342607,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_43,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0690943975192207,0.3890757377194627,1.3266920175420014,3.140541695856578,5.063337625215777,6.358942724919945,7.039386853034131,7.356748495387333,7.475643740111931,2.460185605712116,0.2845537548641932,0.0046699697909724,10.963760587369954,2.920162944944893,6.9645362780334485,0.3914065393055516,6.921559520354097,14.739492227007275,0.7539421052572257,6.584140914701796,0.8979319151765889,25.691259974976333,1.5703810765927104,3.388253365295068,0.095251954437455,-6.584140914701796,-0.8979319151765889,2.6371046962843683,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0160,13.930122394518278,14.772693425686075,15.52557006371058,16.2006340596305,16.807922425524463,17.355875202683986,17.85160355344918,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_44,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692344805385885,0.4164890673206515,1.5786237382292334,3.862868658654647,6.223605184196656,7.790602939095144,8.608349434922411,8.988751199840468,9.13111535488466,3.013162077616993,0.2981492084537303,0.0045804921199617,14.301582029413986,4.460744816798168,8.577328030780665,0.7660679089237035,6.240851343282845,13.26670877543352,0.6422211267337403,5.010778465412358,0.8046279801984266,22.289278067977648,2.249604512371035,4.857867339630817,0.2068244588316476,-5.010778465412358,-0.8046279801984266,7.050394691404402,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0160,12.855141304610392,13.759659841499584,14.575730356498292,15.313258205148935,15.980894118126376,16.586192615201863,17.13576694187938,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_45,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0666808832907207,0.366366381218369,1.21962788938611,2.801310216626951,4.464706272684437,5.591229676497938,6.1854417967951845,6.463213878944347,6.567380886142641,2.2122619343390824,0.2689325424667353,0.0045020884556428,9.471725641404836,2.2239030251713072,6.114389240664552,0.1935886091919302,5.106088824162094,10.889335786960958,0.608892418426207,6.826806623140384,0.7503853753589425,21.11985395300656,-0.905526759586939,-1.922395947712373,-0.1888362119686913,-6.826806623140384,-0.7503853753589425,-6.800648110814881,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0160,13.803075233213008,14.639318732708846,15.385229723064546,16.053485127067567,16.65451242600346,17.196921524287365,17.687872767808297,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_46,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0643390563393684,0.3742927396661527,1.3528892127208234,3.3536417556290066,5.5272451415876045,7.00927789455812,7.791977959188046,8.1579410776843,8.295185545667866,2.595050246937616,0.2714061861164243,0.0041174833064225,11.962195933800876,3.1965871706846536,7.429999844381432,0.3271326695109785,6.638393960404066,14.128562051005291,0.7214954196176079,6.554680782666478,0.8946964320789287,24.99402265347051,1.169174752500535,2.5382548804321594,0.0592614516728524,-6.554680782666478,-0.8946964320789287,1.815833775404065,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0160,13.96255657522474,14.77555956404212,15.506761290188118,16.166212584184265,16.762263220058657,17.302001283464264,17.791535527581242,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_47,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0099114056928413,0.1960835448612994,1.0759527905288695,3.086032204865078,5.308091736421184,6.816242645319533,7.608978252216822,7.978692544364991,8.117188315723242,2.3136341936661533,0.1205219430155603,5.372161263886225e-05,9.23303704512755,2.771964369823628,5.484111474969471,0.3605361079293205,9.266929747093474,19.775087221223767,0.9602365258644774,4.724101038963399,0.8482239277118295,29.22003945440312,7.032698139634387,15.019728428574195,0.6697262628083087,-4.724101038963399,-0.8482239277118295,19.05218024743721,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0160,15.204740060950163,16.148500153290833,16.96298183898652,17.664943379848445,18.27033656357798,18.793508375257648,19.246943703230507,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0160_48,RSM0160.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0100616574017724,0.1975682954289554,1.0804978995673882,3.085209239841533,5.295450151175995,6.794720188793121,7.58271793034671,7.950219855736018,8.087887162180627,2.315956697681476,0.1215257042517451,5.552298468120636e-05,9.18772315488114,2.773263467428961,5.455011791162632,0.3652332794289799,9.411528127127571,20.08387687068929,0.9742672595983284,4.741581408324578,0.8573793394904232,29.60792192181239,7.207251600325257,15.392232213504265,0.6876107131469547,-4.741581408324578,-0.8573793394904232,19.574942796014312,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0160,15.916504214374903,16.82865485372971,17.616445522398152,18.29589119501445,18.88225204920493,19.38927550435025,19.8289447186796,[Ni]O[Ni]O[Ni].[O-]C(=O)C1CCC(CC1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)C1CCC(CC1)C(=O)[O-], nodes [Ni]O[Ni]O[Ni], topology sql"
RSM0088_0,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0045550822965485,0.1793254756794328,1.02015240988449,2.7112782154973907,4.618371522611033,5.975406474338402,6.709759536723666,7.057095625588901,7.187990505412139,2.067092022972324,0.1016895152770478,6.163000332828633e-06,6.742941667250524,2.045482235323091,4.304822547824269,0.3174729917398684,21.233019088624875,47.61389105279776,1.9139003119592275,3.647684966845079,1.6353933187175609,52.68863044949149,-21.233019088624875,-47.61389105279776,-1.9139003119592275,3.647684966845079,1.6353933187175609,-52.68863044949149,0.0,0.0,0.0,4.0,1.79,0.0,-24.0,-53.3693,-2.0,0.0,0.0,-56.0,RSM0088,20.776272183288715,21.05489444250121,21.27534835550709,21.452522396085744,21.596889145841185,21.71597253574622,21.8152807959518,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_1,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0045274361234499,0.1789741919923942,1.030580004317761,2.768501580297774,4.734016967724383,6.130342921806988,6.884821377489043,7.241387592982428,7.375712698862978,2.104895293912835,0.101327971925187,6.189543931268453e-06,7.0937149977964165,2.16689978925336,4.503497108917196,0.3277388256538317,21.366310698230286,47.91311875343773,1.9260456348738344,3.6722825551295646,1.647267654833917,53.03023420337685,-21.366310698230286,-47.91311875343773,-1.9260456348738344,3.6722825551295646,1.647267654833917,-53.03023420337685,0.0,0.0,0.0,4.0,1.79,0.0,-24.0,-53.3693,-2.0,0.0,0.0,-56.0,RSM0088,20.81694671601824,21.08985182747912,21.30567040017086,21.479038406094283,21.62024625657947,21.73668290355048,21.833754595833888,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_2,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413948654499326,0.5373829716787255,1.7245024416573858,3.976772351787156,6.272878158096656,7.794707179901948,8.58957239482705,8.959593570077718,9.098121620594448,3.145334964384827,0.4117410120037748,0.0200425180058062,14.011050815810265,4.404815677298879,8.222928030134204,0.7691789614117914,8.132686747005783,17.277824962933437,1.2718527949068603,13.904217859125032,0.5436114308820136,50.8431132349651,8.132686747005783,17.277824962933437,1.2718527949068603,13.904217859125032,0.5436114308820136,50.8431132349651,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0088,2.481048062555526,3.119161069851044,3.798487231454468,4.498393435912595,5.201563564267655,5.894707664265401,6.568445529574928,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_3,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422113142164969,0.54683036437631,1.7749537568705385,4.065084428951215,6.3901131883757865,7.93272620877533,8.739253955056302,9.114895003813656,9.255557638330314,3.222376152956026,0.4168161794951929,0.0202646947306799,14.616446206362658,4.7241072236614805,8.459639211164276,0.7230362101084212,8.154899526112862,17.324868830171294,1.2685770460894517,14.006283157397249,0.5770912970793063,50.44308901050236,8.154899526112862,17.324868830171294,1.2685770460894517,14.006283157397249,0.5770912970793063,50.44308901050236,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,5.0,11.00276,1.0,13.0,0.3499999999999996,35.0,RSM0088,2.0265669833662594,2.607343201217151,3.2410594281931075,3.9073561047786622,4.58818000344815,5.268934167264415,5.938693074590971,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_4,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437826082330944,0.4799289558768244,1.309251901768273,2.981037508121092,4.84721841942874,6.1518255469508825,6.85047654603319,7.179289082950956,7.302942973732834,2.343153129249981,0.3836212024819653,0.0210474662537187,9.157168763632418,2.2288500418700234,5.842689285606925,0.265466910739694,8.467760728347624,17.942858483056348,1.2582905448603912,14.318496508011885,0.7470824957087736,48.11280307429987,8.467760728347624,17.942858483056348,1.2582905448603912,14.318496508011885,0.7470824957087736,48.11280307429987,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0088,4.573017876818026,5.323495568078744,6.063935521042086,6.781504041878984,7.467759952134196,8.11783327433718,8.729605979437698,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_5,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430732003632468,0.4784619488229306,1.3347074574323785,3.195482377686909,5.339468567529776,6.84428260984669,7.649079300904521,8.02738917436703,8.169570699894846,2.4730504766903527,0.3823127944748145,0.0208470419027451,10.779817386447393,2.699821135512966,6.703693900410472,0.2531858219325549,8.269076647755904,17.540123663207886,1.2377848007297856,14.2132090874735,0.7338678434168877,47.52600991824835,8.269076647755904,17.540123663207886,1.2377848007297856,14.2132090874735,0.7338678434168877,47.52600991824835,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0088,4.281027000441446,5.041968520677832,5.79667460579137,6.530621680504687,7.234116307595578,7.901439503864614,8.529941973941737,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_6,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1397064364391919,0.7665075785205215,2.0328898184222512,3.9237081481318192,5.8331817348643344,7.129965073034769,7.81753667250845,8.139883443315654,8.260922259527364,3.239310533344894,0.5781749488904737,0.008341260248411,11.444144386003003,5.2702515743125184,6.734423952592075,1.4944945862810757,2.058743320568217,4.177685456851084,0.1460389776816715,1.848732124321101,0.4376618195967365,9.682543423617014,1.4598054298143062,2.859691483476785,0.0262513995308894,0.2914936083609337,0.3957361672439628,-4.686122484452744,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0088,7.3725142835983215,8.214744782217267,9.034268102746593,9.827388947504984,10.591549542156256,11.324835881491934,12.025832308345432,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_7,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1424723779513034,0.7783244119758354,2.092876374710596,4.195080365122667,6.344222251232725,7.789088152269421,8.548968710918981,8.903722399738818,9.03668614278884,3.4249420518312963,0.5884642500650645,0.00814354895262,13.43595967585119,5.955615801169528,7.743504903050796,1.569305467564986,2.0039441098311834,4.132538252493295,0.1757710982331634,2.5674628851567025,0.4442287047450007,11.368099081362402,0.7711406366173129,1.4196901039055652,-0.0707895964096107,-0.6396914758336043,0.3570930628346201,-8.33482751228484,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0088,7.149186347250777,7.976802478785953,8.787355855896783,9.577441288688018,10.343910190292274,11.083852594314695,11.79475403499828,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_8,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1414721080205689,0.7985730370701462,2.170227570543176,4.198917837414,6.138456441443075,7.408686293525783,8.070823660507902,8.378963220149267,8.494319685470476,3.4773656366361148,0.600305556025062,0.0074109569121793,12.313983960124371,6.240179952322971,6.819802193178617,1.65006580529681,1.5646319666667334,3.2204385286987045,0.0496715308336229,1.4277024612473874,0.529088872789815,7.213685193741138,1.349128106798046,2.7462110788569447,0.0065707588598854,0.811150135895291,0.4886945722369279,-5.920112530790443,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0088,6.81363915058852,7.64089479340036,8.45722679454653,9.257123692482947,10.035943647714957,10.789713657958728,11.515163630192813,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_9,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1417754634551913,0.7993157384626716,2.1860321471323,4.326661969464712,6.4607867083293575,7.887980764572866,8.63847477696371,8.988995134007478,9.12040623546569,3.5523664770204,0.6007403699216075,0.0075022325757636,13.510738015465316,6.638562974862209,7.412495487828836,1.6618770129281288,2.7995051977885934,5.993794721841041,0.1580684941949427,1.3356014832555825,0.52810829276641,8.973540868564163,2.654847449572088,5.675467824687714,0.1291369445516418,0.6722858991460849,0.3887398029552918,-2.3678157773927184,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0088,6.906828079489927,7.746280441418769,8.57194943167033,9.378632263627562,10.162001031466811,10.9184016657719,11.644876581057009,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_10,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1435550111942104,0.7830418644356159,2.076941463901961,4.114941164906989,6.219725477679912,7.649640232758147,8.405958968667596,8.75998943956254,8.892830508425629,3.367151329585045,0.59251043535348,0.0082028710639965,12.9745858949287,5.796277290855142,7.536909986398807,1.568487836197165,2.1863770662221422,4.438589457912396,0.1620435513294326,1.928329619356298,0.4359872434077045,10.189616972852267,1.537438963866132,3.010567418896673,0.0322559308582305,0.2410905532306712,0.3905615762427838,-4.554931989410039,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0088,6.982155532143599,7.815447873392404,8.631763618141573,9.427186435796989,10.19845296708406,10.942720876372713,11.657602627140802,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_11,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.138732972925569,0.7625331231837357,2.0572554424024903,4.051975017914158,6.060831989690971,7.410889827429981,8.121932615554632,8.454190986923244,8.578776175281174,3.327903237877199,0.5746092772606525,0.0082902458923116,12.19644153351859,5.533907318345296,7.081641465127886,1.5019835676618214,1.9030747082400348,3.926019056475284,0.1644002599847585,2.531756945497172,0.445989147233653,11.044171644179208,0.6881470100305314,1.2525074803249645,-0.0785852796571421,-0.6270550698475366,0.3609442083589878,-8.555537214678337,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0088,7.502834732477976,8.338420020038404,9.151481640932008,9.938641395610745,10.697410808736665,11.425831588559138,12.122404593368604,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_12,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.140599169399738,0.7965808029346756,2.172507669468838,4.224098167649259,6.198300387984681,7.494868073909759,8.171402358877142,8.486353062812801,8.604274644951992,3.4923913613248523,0.59840344478431,0.007326983278547,12.495091603452703,6.301109954108498,6.917728551824999,1.6537895729036067,1.3356534465924643,2.709158357590405,0.0293515756548419,1.4077268040185598,0.5241879731033764,6.777081002621242,1.1277899257349089,2.2517438710402686,-0.0122211285166692,0.8501512026507412,0.5019288254311698,-6.38308071844327,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0088,6.820926711955628,7.651347222434837,8.471304593014032,9.274989639760811,10.05749596308774,10.814655873016408,11.543078484080487,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_13,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1433944159313396,0.8050676879741563,2.2014878833502967,4.353591964666258,6.49047829789631,7.915593714234846,8.66399651185912,9.01333481364912,9.14427120030324,3.576170492326906,0.6053301847403431,0.0076371484245879,13.592255939668652,6.741156834836538,7.419994619791423,1.6862374647042933,2.750314107522251,5.884294396930788,0.1547598148167608,1.3481213633636926,0.5265386292736037,8.925953045868535,2.592332413403403,5.536647463974168,0.1231634759929912,0.6594456678449357,0.3904144298208958,-2.533717357244238,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0088,6.832385784092856,7.660584311267786,8.47426326866068,9.269100493845489,10.041470299279789,10.78819368666126,11.506574880790346,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_14,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1917878358947093,0.929068006252862,2.474190288586916,4.587730211120863,6.511318482953127,7.75382934924681,8.399630713797638,8.699997589363743,8.812432234555121,3.854119948024401,0.7038310962934266,0.0210092985864443,13.388812507468854,7.597623119620671,7.1722450190271445,1.8280601940322967,1.3776517315130916,2.974534430165664,0.2412371178238867,2.9296693017561024,0.1014428638040007,10.74468512240123,-0.798544839008224,-1.8142992854881583,-0.1940021962803763,-2.728441781599318,-0.0508908961324911,-9.374872397639429,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0088,7.308416158914657,8.342122589015252,9.365517556814453,10.356797891092134,11.301250786331082,12.19012840549533,13.019253831177362,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_15,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1230258305567228,0.7618647924696723,2.177501403865341,4.234488359717037,6.179874218915839,7.452762900650814,8.116819448865837,8.426036000703697,8.541828809276765,3.5074025504435062,0.5616818888764554,0.0060530630822151,13.074715112104313,6.0398362810263055,7.639651172403679,1.5908176439486976,2.2211058395932706,4.555425726109656,0.2249444440816582,2.1601059029852845,0.2938498597508662,10.83674463836756,1.134508579564971,2.164311952359861,0.0076249920759982,-0.665046973088295,0.2177880515488853,-4.092230989795522,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0088,7.128779034843782,7.959101608840264,8.79076267282062,9.61202972840324,10.413650708920317,11.188635561979332,11.93199061758034,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_16,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1939602849548093,0.9322873656557408,2.516140300334252,4.760883616308444,6.831692734459345,8.169265756484993,8.863202681726655,9.185583913238188,9.306194316379475,3.97528482592943,0.7062075821201216,0.0213929109089316,14.819334336972174,8.19456295481743,7.758855309368332,1.9686570144243465,1.542660094164973,3.307391789953807,0.2589260124595506,2.9845182908699,0.1019425592815086,11.278599093651463,-0.6531313410733603,-1.5245614444427775,-0.1802322745881159,-2.724539440749766,-0.0517628411851745,-8.99648069537986,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0088,7.899836151005689,8.933312597769604,9.936087674034738,10.894339744441687,11.799259967581992,12.646177217347864,13.433558717049316,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_17,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0935261439678959,0.7173731692230338,2.249640292626417,4.47365290866928,6.5399086750482205,7.874945351546112,8.56696017454145,8.88825551046983,9.008425366491942,3.6921288732327286,0.509994157646701,0.0035054407458095,14.271336290795889,7.0094923592599,7.834290680126675,1.5416972763883534,3.063886745746262,6.199660070042365,0.2892844861259964,1.7295147576691976,0.2621349208307292,11.755463266220834,2.4514468076644453,4.851954139416547,0.166796498509633,0.1371709186564738,0.2192641251650021,1.4708852882124217,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0088,7.202491042329622,8.246334228225836,9.27615157172006,10.272473576894782,11.222467367176202,12.11854520717465,12.957035579753592,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_18,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2144293313072603,0.9022444175011456,2.22967738276515,4.12026940536142,5.920371984179968,7.113205189512705,7.740453383829283,8.033657618406814,8.143634795701578,3.452500758023313,0.7044153100846317,0.0237234055476232,11.451927473720447,6.287681494110852,6.221487808437402,1.833424122122557,1.7626858285488072,3.795719813330796,0.2718746503225,3.937683031128808,0.2746806225899426,14.250922149194036,-0.9560606746761928,-2.1870232418339843,-0.2718746503225,-3.131057877256193,0.0843683673641928,-14.250922149194036,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0088,9.638150941248842,10.372052152028802,11.093360824312567,11.795994277568798,12.474718097733184,13.12549392792248,13.745533290027677,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_19,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1085836341211547,0.6548596684859904,1.887346074047192,3.893252373627037,5.969588517516031,7.383958428275713,8.133808875104481,8.485268997355105,8.617223040747355,3.156268471232051,0.4851056750290214,0.0055014192534969,11.650479640402208,4.8920960177892905,6.689537309213378,1.2010838222595848,3.386388223456108,6.9211274383389245,0.3429407338200826,2.878136658945836,0.372019608226819,15.458076116312926,1.989341782174613,3.846854097884051,0.0635314455637838,-0.7541840883860473,0.2742263573371145,-3.670382914180799,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0088,7.986042194344412,8.91605317894656,9.82232141331506,10.69624151308352,11.531712141222776,12.324765394379613,13.073203725663356,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_20,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2130266557166289,0.9021346438479438,2.270945917200053,4.334256020350626,6.369294418344284,7.730712492139146,8.447722509305223,8.782910437323412,8.908625356382398,3.592866626185991,0.7029614790168813,0.0234686823135839,12.96357888123439,6.929309221781455,6.881603525225714,1.8915647104781763,1.818045887191092,3.9157317380384384,0.2701793340002899,3.854165102801084,0.2825717733784134,14.117869746784278,-0.8177919494474236,-1.8845664850521209,-0.2569882333274133,-3.012204373131933,0.092127129510923,-13.814474431308115,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0088,9.505428173168806,10.265936499868548,11.00746424130124,11.725669166512777,12.416527052538868,13.07685645384628,13.704487369985172,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_21,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1095448940638277,0.6555076800267894,1.846145313520099,3.84402823538829,6.029202869530664,7.561014945238216,8.382813527144922,8.769859231470328,8.915451264654541,3.094761468342131,0.4872857784753188,0.0055682084169354,11.71738387504424,4.863707733311474,6.761953578567323,1.151473485185155,3.4107326005797223,6.839437910693929,0.2621248295615803,1.4415272467196496,0.402696649818106,11.876511868851384,3.3308617989343654,6.663678058391636,0.246150669232509,1.2338631624417236,0.3971056937029311,2.863477596177205,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0088,8.049484258878985,8.978920948922521,9.884310949327794,10.757155111277248,11.591395669373451,12.383084563880544,13.130039121873905,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_22,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0013616505681458,0.0700980404841271,0.5763905948984956,2.0199160919839865,3.8632234041173232,5.21718009763828,5.955875841304172,6.3061104193750985,6.438202522010637,1.433637203983659,0.0372351794188503,1.505586309359281e-06,5.223035169784405,1.1610735423737897,3.420414460305239,0.1045520233374973,7.410867323174422,15.107793449590584,0.8846652104977911,4.334964190760363,0.1855285619259071,30.583417078196245,-7.410867323174422,-15.107793449590584,-0.8846652104977911,-4.334964190760363,-0.0179608111581999,-30.583417078196245,0.0,0.0,0.0,0.0,0.8599999999999999,0.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM0088,19.658461945564017,20.232084722192564,20.701450895882303,21.088668025039137,21.41076598703931,21.680870413326783,21.909137339524307,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_23,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.004113514701245,0.1469135465975983,0.8964196316449097,2.4840844707358016,4.305548652079941,5.607075340010374,6.311690904679114,6.644906964994261,6.77046388908431,1.8740915777909424,0.0827041125395184,9.681592813950988e-06,6.79843503014742,1.8671776880201447,4.267076482593343,0.2358011655061486,6.899877780912437,14.056324813591182,0.8238864960697981,3.866289938905264,0.1932392865612927,28.58654821376681,-6.899877780912437,-14.056324813591182,-0.8238864960697981,-3.866289938905264,0.0144374378407716,-28.58654821376681,0.0,0.0,0.0,0.0,0.8599999999999999,0.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM0088,17.772318443007983,18.567315638387143,19.22732156276028,19.778210700041843,20.2408671352913,20.63194634163026,20.96467652884276,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_24,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0079470297921494,0.2166984958567317,1.2535225588057748,3.246189950493648,5.343088939174391,6.784571385018881,7.553515943330246,7.915063221210096,8.050991184721783,2.507097409098908,0.1249042954064357,4.328242986369258e-05,8.83878950230564,3.08890902085041,5.293090565086409,0.4312704895567886,7.990008497418141,16.318661082924788,0.9663513301761754,5.0750978002053175,0.1976287064212995,33.68276887821657,-7.990008497418141,-16.318661082924788,-0.9663513301761754,-5.0750978002053175,-0.0431768933187137,-33.68276887821657,0.0,0.0,0.0,0.0,0.8599999999999999,0.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM0088,17.299313625417568,18.08231408122371,18.74594840845617,19.310246943188783,19.79205785215144,20.20533114759625,20.561524428179,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_25,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0080462321633936,0.1888716215929981,1.0868450280715003,3.0533853716872645,5.2898534928129255,6.865792552520293,7.712443136709922,8.111419040894042,8.261533803409584,2.296744772080216,0.1117841029549559,4.838227915335316e-05,8.904544812503993,2.5065624897602263,5.537877939430732,0.3237141966235879,8.199771987982386,16.688519243942103,0.9641280654585144,4.464789401270177,0.1936360374508938,32.92960864177301,-8.199771987982386,-16.688519243942103,-0.9641280654585144,-4.464789401270177,-0.0117270595020424,-32.92960864177301,0.0,0.0,0.0,0.0,0.8599999999999999,0.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM0088,17.35707333957294,18.12109079242061,18.771067557543503,19.325538756108145,19.800280808326274,20.20847751843745,20.56103818519124,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_26,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0992388128051711,0.5560590625166032,1.6527208346567894,3.5731174124969383,5.570997938249802,6.922308226701767,7.635087603210022,7.968307480982416,8.093272222111056,2.862673055851104,0.4160087397695244,0.0051435030503325,11.508009564846349,3.723668548103118,7.215618402715836,0.7248238878304786,2.9622285982762424,6.1917330534004185,0.2793110115016291,2.664088179268449,0.510297379669083,13.33780600689471,0.5367564026130721,1.089824977573113,0.0244461621883829,-1.954159493151786,-0.3068003260981307,0.5994988647279574,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0088,11.000641024103157,11.824598143997116,12.604969700373967,13.342552944451128,14.0377078986692,14.690823168449594,15.302569094165394,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_27,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.09515624926312,0.5616356497799043,1.822088483374962,4.032393020937669,6.236441238419283,7.692226638480115,8.452628997282156,8.80671476759528,8.939299612768542,3.226704192012154,0.4131476593894775,0.0048156223744526,13.77584380394426,4.979558454878895,8.120159775024186,1.01979550842376,3.485714177177864,7.326090305708523,0.3329896122485778,2.874312284989505,0.547536288343258,14.999221265636187,0.910327110014422,1.902892465221148,0.0565559871271962,-2.1509747759011724,-0.3504379263899189,1.4781467363641885,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0088,10.83569726783285,11.706611543629386,12.521828318914716,13.284883239473077,13.99838545968793,14.664522943290116,15.28536979503004,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_28,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0931059879878234,0.5495922205278204,1.7573682679177642,3.931934497420925,6.139124954406114,7.603212811671303,8.368441511904129,8.724784124115322,8.858209721233836,3.132127980259105,0.4057562776566305,0.0045806831945021,12.975922751041605,4.649227515497007,7.729500264368247,0.8731250065693631,1.947694404011891,3.972262471327246,0.1642377922451374,1.835634102964001,0.4291964916956319,9.50927397881153,-0.00132038134918,-0.0716205354626227,0.0140075376309862,-1.3152227193102797,-0.2923300701845928,1.7892335253574976,9.0,18.0583,1.0,1.0,0.3999999999999999,34.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0088,10.227074328287488,11.156767706905503,12.035281486210543,12.861977763971955,13.636556419624524,14.359389508848173,15.031588575907442,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_29,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0918329050745413,0.5444160846149297,1.7284957619416856,3.933639910146987,6.280767617613257,7.879030296873379,8.723878229524612,9.119144865485746,9.267421524577562,3.1082679200588395,0.402173800953847,0.0044516713930681,13.384262234024256,4.750743735955711,7.872586047641456,0.8351650071852506,1.7731053554818057,3.5961157257490544,0.1371345822175745,1.447082528708747,0.3978118993730872,8.3690545261606,0.2385754370227149,0.4346186314846644,0.0407528533466323,-0.858501220717881,-0.2335343504024237,2.460316009189617,9.0,18.0583,1.0,1.0,0.3999999999999999,34.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0088,10.288948941505843,11.21818427407201,12.097021306782894,12.924477588758752,13.699929454534084,14.423512898808692,15.096195897161373,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_30,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.093883510769156,0.5475194367774922,1.7297559745712143,3.854390755124968,6.0383824435538855,7.499056826794301,8.265044123703309,8.622191574130445,8.755982362315065,3.070066639267411,0.4052042816851472,0.0047055410772969,13.15672222872382,4.514701926442604,7.916811865249615,0.8564639200701756,3.466322127982665,7.330520972789128,0.3366091601376055,3.0776207629780394,0.544681701492488,15.004576000290337,0.7484317540750954,1.5880950539431686,0.0261582894284949,-2.393029150967413,-0.3441780166840114,0.0802451118199548,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0088,10.61252608999278,11.519110419813988,12.366370829356924,13.157775015314916,13.89604758442752,14.583596162370462,15.222775648353029,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_31,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1020241394256174,0.5709101127795034,1.7462036890861046,3.785110830122007,5.848826853045446,7.226697005767519,7.950145062720202,8.287791294428057,8.414338524968517,3.0387038462663463,0.4255971008282786,0.0054402361294729,12.328914672794449,4.20829313960286,7.571709446087968,0.9056950453932308,3.112623283397469,6.532186463883115,0.2795157793877161,2.444619570561833,0.5239363357191341,13.193270402618108,0.8591375759915234,1.8149205977507912,0.0650877668040652,-1.7452426051179906,-0.323106336657064,2.1057749109961947,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0088,11.105206277307934,11.890775791434873,12.637004996957888,13.344715847280842,14.014174364842123,14.645570504149246,15.23929078780721,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_32,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0911279939867128,0.5454002036652603,1.7611403944897914,3.956008540413938,6.189270488080699,7.674254752539977,8.45151407204934,8.813707516109782,8.94936348364363,3.14824929520175,0.4015919763740705,0.0043832189193193,13.164526112409533,4.710140732024102,7.831576213416807,0.8732130578081593,2.0426907824159053,4.187118072600646,0.1872691397319638,2.142697259569111,0.4325904234218361,10.251077843477129,-0.1719500073232227,-0.4376216571425694,-0.0125008096441507,-1.6701031251789338,-0.3134601017008903,0.7711508469207227,9.0,18.0583,1.0,1.0,0.3999999999999999,34.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0088,10.196558754004656,11.138300995713175,12.028798526118717,12.866694569226402,13.651262936319071,14.38267987480314,15.062022659391824,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_33,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0941596873601463,0.5511976358333505,1.7458726699871865,3.961176166059282,6.301017049592858,7.887777696713511,8.725152440370966,9.11666456722861,9.263495114831407,3.1343101997914387,0.4078712156564444,0.0046753962983945,13.432765043345988,4.845409118080733,7.847758212742143,0.8602481351968853,1.815242822636853,3.67708099905151,0.1313343731631833,1.1909222762717455,0.3945622800493792,8.074470863003192,0.5447228442551741,1.0849925679052588,0.0764529207242741,-0.5376950924775786,-0.2113074518583296,3.588527413058706,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0088,10.428990383646273,11.328873740892089,12.180789027782332,12.984289523496733,13.738946603089833,14.44484752649296,15.102756989065004,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_34,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.074794691149426,0.393594639428977,1.3328389753081975,3.1743989616722432,5.186045482513696,6.580710940917317,7.325228863693733,7.675185088831476,7.8067247528549695,2.47866173494314,0.290373275051907,0.0055767602207105,9.327880180505188,2.71091142938074,6.013720784069916,0.543488460373927,5.836675625545573,12.838916254899338,0.4652881643163848,2.454715972215124,0.8215788296440308,17.900133767006615,3.357079038745817,7.797134725805543,0.3705077142555597,-2.454715972215124,-0.8215788296440308,14.582818014877734,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0088,14.827592230738894,15.593226155013758,16.266828571340962,16.864293320854888,17.39829418678673,17.878819650337018,18.313725770277067,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_35,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0677402287057426,0.3785763785278576,1.344526968691024,3.307245364327672,5.440795606626721,6.902636202799771,7.677502249708547,8.040495699016283,8.176740968054297,2.563990367850054,0.2764730287963129,0.0045722598238566,10.254832977682977,3.011901060153533,6.44123702414204,0.439339249792389,7.578378057447641,16.738731139472804,0.6551823243323814,3.441530593632996,0.9616693276740408,22.996933606132924,4.55825331234185,10.502820634119324,0.4481478001939358,-3.441530593632996,-0.9616693276740408,15.750725261287332,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0088,14.35573541436641,15.207677293758456,15.95867243696121,16.624570515670193,17.21840998932174,17.750743480975277,18.230092196072608,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_36,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0651334517712318,0.3684184422782566,1.3494610561159153,3.2808612006713043,5.296281241616465,6.644899115285705,7.35169676631664,7.681132023230651,7.8045229604128945,2.5605581473140364,0.2673805775282172,0.0042934734405147,10.425885029519783,2.9952077390899183,6.596877354022395,0.4559359690956198,6.937669145275265,15.19322649338181,0.6225786597037859,4.350003010867563,0.9923571457539496,23.15805688822381,2.762148266743473,6.5028149742941945,0.270170216801444,-4.350003010867563,-0.9923571457539496,10.823761386641852,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0088,14.375218368360567,15.257795212388965,16.032262729681932,16.7158659886501,17.322728256748,17.864283093226053,18.34978455813072,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_37,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0665975940268672,0.3830461894850218,1.466440629351529,3.626770557295924,5.856534847904756,7.334722626565067,8.105711039627662,8.46428272499817,8.598465217653601,2.82312845135602,0.2758974841913728,0.0044533030863426,12.05078182976125,3.8532498377889657,7.313486870437232,0.6396516218882613,6.240902061983157,13.69674307994814,0.5469819366081277,3.827729507788797,0.8970072316576999,20.43128817852212,2.543096178512842,6.018130986597742,0.2517723144383794,-3.827729507788797,-0.8970072316576999,10.098951402580926,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0088,13.857469144960756,14.781760905236556,15.593705992580034,16.310891346495097,16.947869399719384,17.51650064153685,18.02642595766041,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_38,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0684253187758407,0.3868318151601792,1.35445249440454,3.298274364909836,5.449503618184411,6.944576099816096,7.742594382594516,8.117581040675283,8.258504528889228,2.5589706156344048,0.2819561260076134,0.0046242964620155,10.229514043999998,2.996481262095031,6.51239927013982,0.5555522121076479,6.274455875698232,13.788206477699704,0.5117632150346559,2.7513367814813905,0.876209026793374,19.50170278122216,3.5392990682152536,8.204255396468705,0.3854766335416203,-2.7513367814813905,-0.876209026793374,15.081672428965913,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0088,14.858703164269643,15.639784971277331,16.32851577792435,16.940649800617912,17.488534027584787,17.98181182524163,18.42806662400799,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_39,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0741982313924368,0.3827369617078663,1.332862003147869,3.287674345767004,5.400487515163864,6.8384213314113085,7.597815251696668,7.952956813688576,8.086160382561019,2.547742834603661,0.2832719117946625,0.005557654515111,10.06759264762532,2.9544633654914443,6.331589083803403,0.4211433665136621,7.108448514590239,15.6929823812462,0.6051312870304403,3.133819752863479,0.9175597745109718,21.540869951468977,4.300077325136007,9.914283576989517,0.4320074256719457,-3.133819752863479,-0.9175597745109718,15.481534803921663,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0088,14.185620724681192,15.041355278852468,15.79226896969453,16.45543579449358,17.045015357852943,17.57248478821858,18.047059860207654,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_40,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0649772903214656,0.3690157340992515,1.351237622021004,3.314812589739589,5.402083289673389,6.813271956878984,7.556287792933189,7.903288248067272,8.033362166275401,2.577449362521596,0.2677420652351287,0.0042646700249873,10.698023961758048,3.067780864018029,6.742245605570405,0.4535520162786147,6.747972775791103,14.775879441408676,0.5992520282519288,4.142825589764009,0.9709920012746396,22.45724313194248,2.7370071246871555,6.441189775364459,0.273497986042493,-4.142825589764009,-0.9709920012746396,11.05585165461222,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0088,14.239317918829537,15.14500461548956,15.937986833381988,16.636498417250376,17.255448051283658,17.806875616922508,18.30049958629439,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM0088_41,RSM0088.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0667389331588192,0.3835653189051675,1.461152206794051,3.615487774946213,5.841860344424125,7.3176810508182655,8.08729166430612,8.445185013499966,8.579107429493552,2.8134245494158714,0.2765851424562205,0.0044602387286462,12.052789605954429,3.832681467599475,7.309632323826679,0.6131359760055016,6.293587032702564,13.807512347299,0.55678847297645,4.007251570302093,0.9073236557002282,20.7666950349604,2.4287333076134425,5.769674805075458,0.2362500054474604,-4.007251570302093,-0.9073236557002282,9.547848671445765,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0088,13.845926627192416,14.765082092144366,15.574093968532164,16.289687647903982,16.925882274277235,17.49421775922752,18.00414556861578,"O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.O=C1[N]C2=NC(=O)C12.[S]SC1=NC(=O)[CH]C(=O)[N]1.[Zn]cpr,pcu.cat0","linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, O=C1[N]C2=NC(=O)C12, [S]SC1=NC(=O)[CH]C(=O)[N]1, nodes [Zn], topology cpr,pcu"
RSM1142_0,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0004785004858368,0.0766526759865637,0.8087077262247985,2.69328713236614,4.852605667708381,6.3496520394382925,7.145194043137194,7.5180892475950145,7.658071620167679,1.9587416190168057,0.0350203649575368,5.3939332099255503e-08,7.43525663655063,1.9623789787515469,4.726898068454825,0.1765578441927714,40.861458139197296,98.21838871593113,3.086480068201148,4.349262815618779,1.5403141402917468,79.7463140780939,-40.861458139197296,-98.21838871593113,-3.086480068201148,2.446701315193511,1.5403141402917468,-79.7463140780939,-40.0,-96.4116,-3.0,4.0,1.75,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM1142,22.063040296832025,22.21175764471547,22.327194948749145,22.418534740401864,22.49201273366113,22.5519793940148,22.601542180414285,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_1,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0004988304954529,0.0774131657505885,0.8082261574350718,2.6848621378806463,4.83682452788533,6.329963313636061,7.123744388258954,7.495879266421886,7.635586203446073,1.9533425519837608,0.0355148719076857,6.056945569242033e-08,7.364972535951491,1.952401762699568,4.683999828543548,0.178815207113105,40.83080143895745,98.15295274178126,3.0823107587547205,4.321549183608635,1.546062124708325,79.60774591804316,-40.83080143895745,-98.15295274178126,-3.0823107587547205,2.5107124910047864,1.546062124708325,-79.60774591804316,-40.0,-96.4116,-3.0,4.0,1.75,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM1142,22.06400799126112,22.2121964233965,22.327322874737074,22.41847911259347,22.491849604388104,22.551755033420605,22.601285111591345,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_2,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0004969643581984,0.0773756829456961,0.8089701706221432,2.688666366860648,4.843899492393311,6.339071377129063,7.13386699572391,7.506463597086578,7.646341727048593,1.955945339139848,0.0354819086026201,5.984667440690829e-08,7.389609390791968,1.959872571301662,4.69581054828032,0.1788413009441241,40.84332306459133,98.17985785587491,3.0841843652264926,4.335258048579577,1.543978386100781,79.67629024289788,-40.84332306459133,-98.17985785587491,-3.0841843652264926,2.48320201359672,1.543978386100781,-79.67629024289788,-40.0,-96.4116,-3.0,4.0,1.75,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM1142,22.066276333353272,22.21407483654442,22.32890725700608,22.41983536398754,22.49302474236758,22.55278365740101,22.60219334342135,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_3,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0004793362567081,0.0766266194957839,0.8077096745224123,2.6890413791288443,4.844944757495664,6.339889222195997,7.134391356236029,7.506815730661663,7.646623951020448,1.955758921629965,0.0350174950939787,5.437405289880009e-08,7.408170228849811,1.9550194732233752,4.7120282161084726,0.176365705318087,40.85334358961179,98.2009886183745,3.0853000050122734,4.340856480560038,1.5417176411702966,79.70428240280019,-40.85334358961179,-98.2009886183745,-3.0853000050122734,2.46425637029002,1.5417176411702966,-79.70428240280019,-40.0,-96.4116,-3.0,4.0,1.75,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM1142,22.062325721446744,22.21114907087108,22.326671522774006,22.418080558741963,22.49161546299329,22.55162934914659,22.60123167447868,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_4,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407580703400544,0.4915215815649238,1.4291109795573371,3.290195272516516,5.2633770864741525,6.590359652984068,7.286752034330779,7.611467750628873,7.73310716261032,2.5909625671711303,0.3874459125891754,0.0200957323219946,11.684897590188084,3.096238038414197,7.391206034040091,0.3396545075548292,4.456552280414539,9.896562477676182,0.6920822270899483,8.512209763728627,0.4072002168273919,27.64399482762917,4.456552280414539,9.896562477676182,0.6920822270899483,8.512209763728627,0.3849852118263095,27.64399482762917,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1142,2.96980191467054,3.593780626494318,4.2452470039909365,4.90795085104241,5.568727766226261,6.217672131636683,6.847871497286671,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_5,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.14103126051435,0.5011188275843124,1.5303468852538742,3.459310714745534,5.393035393050139,6.66020303209969,7.318026709197347,7.623365890936123,7.737537245619134,2.75143276677284,0.3910291492183447,0.0202073467573337,12.451411367232025,3.5123702847849847,7.744502840312415,0.4123726356669739,2.845819315673465,6.212111818239501,0.520387112520672,7.008916215838841,0.2914205543944712,22.19800129807972,2.845819315673465,6.212111818239501,0.520387112520672,7.008916215838841,0.2914205543944712,22.19800129807972,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1142,3.6489237834459742,4.327738540051793,5.024469402292871,5.722062583946835,6.407245507090529,7.070623905992029,7.70622640589102,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_6,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.142168771929754,0.4969705561388431,1.4764090106440706,3.2825227165994533,5.0860598595234725,6.268234687223292,6.882432932009389,7.1676691896528135,7.274349430936113,2.6213531106009618,0.3897097410441767,0.0205675747169197,12.47973246141561,3.359018717623005,7.753945487044259,0.2880606576619706,2.707300530217146,5.913681491382404,0.4988973680726281,6.6984794747981695,0.2695480840998722,21.38631311399824,2.707300530217146,5.913681491382404,0.4988973680726281,6.6984794747981695,0.2695480840998722,21.38631311399824,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1142,3.022526717595889,3.700532778494309,4.40733632568386,5.122498722117372,5.830080287472351,6.5186737813834,7.180838213249073,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_7,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141042009456857,0.5180143187893608,1.529740961764375,3.380605291817735,5.291996343804168,6.57448903100497,7.248247558725855,7.562664702103208,7.68049196710132,2.696187003627605,0.4022220047066565,0.0200244381934015,10.882970417553622,3.194699241354688,6.960451905718892,0.6882940201751441,4.725943708669677,10.516877623420584,0.6941614113387489,8.392312100130948,0.4477014898510439,26.848503149612768,4.725943708669677,10.516877623420584,0.6941614113387489,8.392312100130948,0.4193976463623131,26.848503149612768,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1142,3.057792885551128,3.621203485579725,4.216130798228521,4.828968650142418,5.447633528506144,6.0623042429395895,6.665579472779652,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
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RSM1142_13,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140980297203528,0.5009778142822675,1.5292394371583005,3.4537390013933744,5.381739579074026,6.645047721231262,7.300891560047821,7.605321602895847,7.719154865008855,2.747746317903004,0.3909196128695782,0.0201932942142285,12.426421300545996,3.504320197031475,7.73036821179164,0.4117996906238454,2.8505659998017845,6.22303831112308,0.5218049894225409,7.0250059151821125,0.2908224403951564,22.27351926056894,2.8505659998017845,6.22303831112308,0.5218049894225409,7.0250059151821125,0.2908224403951564,22.27351926056894,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1142,3.653539519652465,4.332286794975313,5.028941699409097,5.72644534913892,6.41152543953849,7.074790143534826,7.710271018920993,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_14,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.142143039361378,0.4968790230417085,1.4759426842228778,3.280965020008515,5.082955102572352,6.263940042317601,6.877478887812774,7.162400784181068,7.268962225301816,2.620255844624888,0.3896462805658216,0.0205604059226575,12.468551983188192,3.356220323235046,7.745697913255101,0.2874667131056889,2.5676240034290303,5.6002002593357245,0.4650306975037353,6.287869583458911,0.2708790872621859,19.71402880811632,2.5676240034290303,5.6002002593357245,0.4650306975037353,6.287869583458911,0.2708790872621859,19.71402880811632,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1142,3.022895831699472,3.7016966862513447,4.409209924073304,5.124964791202945,5.833015291510443,6.521962042558462,7.18437836021546,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_15,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141029266970809,0.5156373087947294,1.5177830910259382,3.355840356335006,5.258130344438744,6.535798132729991,7.207289507203873,7.520698332411228,7.638155004707973,2.6755452843599143,0.4008772454223642,0.0200385899795,10.802700164979456,3.140736841948145,6.915561139809935,0.6595914936054018,4.636821893311051,10.314750470396998,0.6844542736984085,8.297734396612025,0.4400131979499678,26.54241137861964,4.636821893311051,10.314750470396998,0.6844542736984085,8.297734396612025,0.4127923726556733,26.54241137861964,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1142,3.0818320980513905,3.648095432548363,4.245241849371144,4.859642196314967,5.4792462207786885,6.094292814381132,6.697449444775611,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
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RSM1142_17,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418633136473468,0.4995664002171305,1.4785259427513406,3.280049157219591,5.096836062832158,6.295338101012594,6.919793433819768,7.210139379043058,7.318782589629095,2.6185369415128505,0.3910916376444433,0.0204633467673586,12.280341940531878,3.3071743668029545,7.672264749172834,0.2951763541445275,2.50130618741749,5.470338986563868,0.46736502206654,6.240226363949811,0.236798572125271,20.20902060757036,2.50130618741749,5.470338986563868,0.46736502206654,6.240226363949811,0.236798572125271,20.20902060757036,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1142,3.239592416074303,3.9158073962619984,4.616642910298426,5.32322963553588,6.020797802745317,6.698768332022848,7.350262118939756,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_18,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410469155048252,0.5021370102061999,1.512486997807882,3.382489234870223,5.272445536626083,6.521662866487078,7.173236268910369,7.476336441332909,7.589774451781804,2.6954019567778515,0.3917600396248303,0.0202128727377794,12.441775191770793,3.433131942525851,7.769622291899567,0.3600251690077365,2.824637088633204,6.165081297830452,0.5157722234651669,6.950814876354539,0.2898905854445878,21.98087019939566,2.824637088633204,6.165081297830452,0.5157722234651669,6.950814876354539,0.2898905854445878,21.98087019939566,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1142,3.500954265453417,4.175618427398423,4.871239748550555,5.570188868715433,6.258614090782227,6.926605284236766,7.56776499127746,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
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RSM1142_22,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421937037635414,0.497113745420747,1.4769090562023748,3.2827803737271326,5.085539892468509,6.267053881214845,6.880876763022286,7.165932587817613,7.272544435232948,2.6217873995025203,0.3897986259815494,0.020574509616569,12.474083027730808,3.3596710617121865,7.749343492746634,0.2885137428291712,2.641456752002626,5.7719398052089845,0.4887851193360134,6.551737706690734,0.2591994095022423,21.00767459350781,2.641456752002626,5.7719398052089845,0.4887851193360134,6.551737706690734,0.2591994095022423,21.00767459350781,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1142,3.023232321586001,3.702807466508161,4.4109062813056825,5.127087324309844,5.835434673304527,6.524576125940591,7.18710805288389,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_23,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410592195512224,0.5162057393733639,1.5206186633314809,3.362343979972726,5.268169252206572,6.548109906837825,7.220766467445926,7.534712611233783,7.652369618845964,2.680731992625745,0.4012083269450298,0.0200436137483978,10.833168158889082,3.156402554802693,6.932566538419542,0.6639395543588554,4.630522243064386,10.30094855538758,0.6837263135430871,8.288060289966,0.4390443681488618,26.52050319413725,4.630522243064386,10.30094855538758,0.6837263135430871,8.288060289966,0.4118602812272156,26.52050319413725,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1142,3.07560946659888,3.642557224071153,4.240314801534731,4.855256084661109,5.475336516431933,6.0908013928474976,6.694324512344551,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_24,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425897843710704,0.5229893860116362,1.526986416354488,3.3189951597869203,5.149528065582791,6.374497726017404,7.017810872050178,7.31803157882263,7.430544406033241,2.659993261087755,0.4060981535022663,0.0204452071236481,10.810671685807115,3.171795129714148,6.891442486855826,0.4923392159700483,2.990255345949242,6.502540295567456,0.5204350816666751,7.142802310965412,0.3574896180175208,21.490112675238272,2.990255345949242,6.502540295567456,0.5204350816666751,7.142802310965412,0.3573256126927624,21.490112675238272,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1142,3.1368803331269457,3.737255541791402,4.366156162689742,5.00867571413742,5.652070671184137,6.286345528803901,6.904258444486716,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
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RSM1142_26,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409956663578508,0.5018313872791736,1.5097903456629322,3.375715405602341,5.262626270834318,6.510142746535861,7.160890769850699,7.463618383540422,7.576918636017722,2.689965178111173,0.3915852936019156,0.0201993910956161,12.434523629637816,3.424508623331288,7.768271998837832,0.3554430266054795,2.813355355375593,6.1410747989813705,0.5143107690401212,6.927841507696562,0.2876104411919117,21.93497705593052,2.813355355375593,6.1410747989813705,0.5143107690401212,6.927841507696562,0.2876104411919117,21.93497705593052,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1142,3.491239502138072,4.165318674591367,4.860665634874506,5.559570685186724,6.248116848682817,6.916343242232252,7.557814025030503,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_27,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1429590427196048,0.5147516375530222,1.5318359110759558,3.426772588145841,5.383996981636173,6.692235154837012,7.377744913444612,7.697234246427303,7.816895869538349,2.7248092543978046,0.4008011162693375,0.0206547377526329,11.573209045052083,3.3184338375385307,7.347548430176656,0.4481333888701929,4.708611210828493,10.43564846709195,0.7227037113883602,8.985423888809018,0.4595389651648652,28.55102075616909,4.708611210828493,10.43564846709195,0.7227037113883602,8.985423888809018,0.4369667099679699,28.55102075616909,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1142,3.272313687142134,3.900063346228513,4.549819993382025,5.206977370054078,5.8595560028317015,6.498482202540109,7.117422472897887,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_28,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407990775532799,0.4916692530155122,1.429677410767723,3.290809769618773,5.263613407369295,6.590251378261488,7.286446758417409,7.61106770907824,7.732671196278687,2.5916347978533385,0.3875463068800568,0.020107142525682,11.68048337272526,3.0968240098472264,7.389113204612092,0.3408547989928084,4.456635301624857,9.896205197810945,0.6922038651753567,8.516522374494935,0.4076374444212979,27.64883790268347,4.456635301624857,9.896205197810945,0.6922038651753567,8.516522374494935,0.3854712866933062,27.64883790268347,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1142,2.971307708950819,3.5950189585148227,4.246222669825895,4.908681143977008,5.569236940729863,6.217987356575643,6.848020161881381,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_29,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410573267611936,0.500980843788366,1.5296723836447552,3.4584452120956777,5.392023962148119,6.659001703585724,7.316695519030335,7.62196755077131,7.736112718661572,2.750600987299336,0.3909714926254906,0.0202155762343746,12.444381284433224,3.509775504907446,7.740807274844003,0.4120384090257998,2.843436119678441,6.206962088418331,0.5200022164877007,7.003453851580049,0.2910824968873929,22.18297455574684,2.843436119678441,6.206962088418331,0.5200022164877007,7.003453851580049,0.2910824968873929,22.18297455574684,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1142,3.65181840495604,4.330522629143219,5.027129602490647,5.724590351930398,6.409636852777091,7.072878615897031,7.708347139745095,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_30,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421858253912783,0.4969962443124518,1.4762591424355558,3.281875505786269,5.0851512938631895,6.267320662352459,6.881565297328305,7.166833924338408,7.273527984078589,2.6208728305537936,0.3897358905602908,0.0205724595989991,12.472926503534556,3.35718135463392,7.749642824883319,0.2878554449810134,2.7033921918248827,5.9050711839686585,0.4981062886488563,6.688242501015735,0.2692893671321469,21.35047924629553,2.7033921918248827,5.9050711839686585,0.4981062886488563,6.688242501015735,0.2692893671321469,21.35047924629553,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1142,3.025506947554151,3.703203380296917,4.409698268536054,5.124570424930457,5.831888533646155,6.520248134150125,7.182207843831292,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_31,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410398631632831,0.5170108494229699,1.5258590345089451,3.373478776753876,5.282166788300757,6.562984890270899,7.235892696788406,7.549918497455565,7.667599961231262,2.690137570825956,0.4016290567301963,0.0200327192187752,10.858740615370468,3.177846336574556,6.946244838411357,0.679348404341272,4.724466105757284,10.514105394259143,0.6938416482314084,8.385742926053863,0.4471539595796544,26.83604121296685,4.724466105757284,10.514105394259143,0.6938416482314084,8.385742926053863,0.418812114096334,26.83604121296685,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1142,3.063312369603954,3.6272656833143873,4.222601317246618,4.835717885482911,5.454545402225765,6.069279864748729,6.672537712506949,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
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RSM1142_34,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411235410027574,0.502258370697744,1.511802826384925,3.3787879781156165,5.264811626883126,6.511184322160513,7.161230084641652,7.463612532792118,7.576780976165777,2.6929475878618305,0.3918843657538248,0.0202345123890526,12.436866504017877,3.429302677345885,7.76879796453051,0.3584028115025095,2.8268662792041166,6.170472947721082,0.5166896381124855,6.960383384104001,0.2891624227849211,22.033943271853406,2.8268662792041166,6.170472947721082,0.5166896381124855,6.960383384104001,0.2891624227849211,22.033943271853406,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1142,3.49809558141078,4.172549494439212,4.868056897309068,5.566968893318416,6.255414751887144,6.923467966180329,7.5647178243308515,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_35,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1429042598093191,0.5147173002325092,1.531438496330057,3.4250578089737047,5.380947023863782,6.688423514366384,7.37358495566546,7.692924472617279,7.8125320633307,2.7236032087181883,0.4007590348053785,0.0206386814001139,11.580072239820622,3.3174566398381984,7.3582310213707345,0.4497752350364307,4.659121382112303,10.326251324581904,0.7170913678678117,8.915686028488489,0.4526990349605194,28.38095513675162,4.659121382112303,10.326251324581904,0.7170913678678117,8.915686028488489,0.4304965405120248,28.38095513675162,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1142,3.255737482815599,3.8833483014363495,4.5332401342685404,5.190736484075294,5.843799036562512,6.483307171161693,7.1028911028996005,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_36,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2258680397862321,0.9405788037558908,2.280143495822001,4.247244340928449,6.132194349870572,7.365028157201211,8.006719149659595,8.305094250624002,8.416753284473105,3.5465065689656483,0.7381907585924725,0.0239912837853,13.104674860735646,6.640277603510416,7.403872330653975,1.8799025196495496,2.3228263157252607,5.044639424218798,0.3993243708178113,5.51742128226775,0.2959247487212288,19.60061899498253,-1.6704173924528527,-3.7427010042999656,-0.3993243708178113,-4.865012358995344,0.0163976891487611,-19.60061899498253,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.353874605233443,10.127378853240897,10.8794481167497,11.606379987174902,12.30490128139066,12.97244215134814,13.60724927176115,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_37,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2203206328203417,0.933156956098017,2.326704686199287,4.351527638220881,6.238177944773848,7.449682777334845,8.074560426553333,8.36392922418667,8.47203392121434,3.6372436428039823,0.728010151372028,0.0235589347981637,14.003836644375744,6.796672093250706,7.988970005992503,1.9157547593526736,2.54264229535577,5.587610478507544,0.5011511205175152,6.551851259495891,0.1918174704629763,22.73623388712916,-2.468868909819383,-5.440480527063048,-0.5011511205175152,-6.478077873959504,-0.1589883138992839,-22.73623388712916,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.365542843990829,10.131627500803257,10.872837214896697,11.58672664192658,12.271165893819738,12.924536856557005,13.545807245560953,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_38,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1036672852800194,0.7412293535026915,2.289051881219191,4.4829584518715295,6.428755713687107,7.645859465968179,8.266449203647191,8.552436722435782,8.659068506388483,3.723969370366107,0.5326397914909388,0.00388067622766,14.713021552850597,6.683371918844202,8.620515520736191,1.8840417812818384,1.322166586089598,2.9044133941296844,0.2595032668566696,3.3981927209429545,0.1017955054536156,11.80089826758138,-1.2728660824770976,-2.806090934750094,-0.2595032668566696,-3.3488922173304543,-0.0798567813460528,-11.80089826758138,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,8.305183724899758,9.0052841120853,9.701813987818614,10.392364796714332,11.073092625825277,11.739690015769456,12.38805587791758,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_39,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2183855033116433,0.9260999351888952,2.3512487807930627,4.4183079047808045,6.272540593358815,7.431772453540796,8.022102892741257,8.293957733316573,8.395289493528168,3.697654420868793,0.7215021657301848,0.0236563981019338,14.21306607506448,7.132602383414112,7.956093272429151,1.98716022942836,2.3499581454125296,5.171205096803833,0.4699916290825059,6.109891178072577,0.1644970701788768,21.14962330871277,-2.3499581454125296,-5.171205096803833,-0.4699916290825059,-6.109891178072577,-0.1644970701788768,-21.14962330871277,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.531157050646849,10.322642945288038,11.083851991584218,11.813015389236924,12.508630259257004,13.169646900332369,13.795548428235696,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_40,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2287913985385037,0.9480314784367582,2.2552582625376494,4.167638902157638,6.046696526189592,7.294465039477525,7.948094419933078,8.252811004112415,8.366960018654877,3.4808114840007853,0.7453850289096843,0.0242361651668372,12.722246989726392,6.3034768299721495,7.372684422940514,1.8220723479462768,2.5845937976718165,5.635780369576968,0.466330258416533,6.315235865004081,0.2868087179824892,22.249574156689743,-2.078708786493513,-4.626059458613218,-0.466330258416533,-5.809350853825777,-0.0396224629090835,-22.249574156689743,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.30601618024576,10.030642805495797,10.74092884154859,11.433233575029243,12.103900991990145,12.749737581473555,13.368258894734025,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_41,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1589016580091507,0.7814283570836208,1.899230619518724,3.609516401559864,5.39008058657217,6.617325384181414,7.272666549119487,7.58090311291929,7.696801586976273,2.982239951414344,0.6051741598577561,0.0101512095710457,9.32771565086707,4.495715113337483,5.388969033244477,1.297561503428119,2.0328925355266723,4.248770604164579,0.1846568087692909,3.490945509192619,0.5554167443015193,13.796994129727729,0.195325149312692,0.2051080172966315,-0.1828566684735052,-1.287929788494254,0.4262709870484155,-13.75619094968992,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1142,6.729504971362656,7.512335415436302,8.291688015438918,9.061180980034116,9.815531437897896,10.55027622823657,11.261705892084002,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_42,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2286393315079071,0.9483368369288682,2.2798035244305166,4.19024631510344,6.003103797583548,7.186924548709754,7.803297662800743,8.090006526379161,8.19732072204994,3.51329522161488,0.7446450226602678,0.0245101373588438,12.642361147238477,6.414416378331145,7.252142068755116,1.874063718945736,2.4482314750183263,5.339409903791725,0.4426648281660845,5.989550100347003,0.2700372836102024,21.09445393841332,-1.9784168066425187,-4.401659825713613,-0.4426648281660845,-5.519735431971196,-0.0398280961060565,-21.09445393841332,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.185300832261664,9.935070133239783,10.668651693790864,11.382039590119197,12.071436853852047,12.733650787212266,13.366289237091433,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_43,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2192861683499268,0.929128010385934,2.338659971835567,4.375536296965526,6.226133247491865,7.395633806079773,7.994531543855119,8.27103020298977,8.374201007234415,3.663035850693859,0.7243343307792022,0.0236469622230836,14.029749086036905,6.974825907254156,7.940941265782847,1.9609504884084192,2.383223589572727,5.244407436481444,0.4766447179145455,6.196381332889092,0.1668256512700907,21.449012306154543,-2.383223589572727,-5.244407436481444,-0.4766447179145455,-6.196381332889092,-0.1668256512700907,-21.449012306154543,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.38166185705256,10.173085286286565,10.93503502032584,11.66569343847448,12.36349463054936,13.027308159789058,13.656523981703677,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_44,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1043189323115564,0.743157431914871,2.289645535780538,4.469512915373108,6.406598016062388,7.624554513359788,8.24773899211707,8.535419238315479,8.642762080657832,3.715898510128533,0.5342824373385453,0.0039290302082458,14.574812743580946,6.649917091967837,8.589009681525775,1.8900758992992777,1.289938902956978,2.832774322353252,0.2523590180900301,3.308811047677219,0.1008496528970486,11.496874876585492,-1.2336512779433235,-2.720517097407269,-0.2523590180900301,-3.252523422663564,-0.0758016597659723,-11.496874876585492,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,8.329036359090294,9.019497789840626,9.708499918170316,10.393284083694942,11.06966180577822,11.733027100404762,12.37903402417485,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_45,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2202509832312721,0.9336318743440586,2.333025991078227,4.356741232846706,6.22313263430008,7.413611923855926,8.025626824264856,8.308619733091803,8.414277483085138,3.64536185129892,0.7281497633563055,0.023573362045572,13.99630708718925,6.854544967326945,8.004702820128696,1.939948297633752,2.3928504874432504,5.2655919258442205,0.4785700974886501,6.221411267352451,0.1674995341210273,21.53565438698925,-2.3928504874432504,-5.2655919258442205,-0.4785700974886501,-6.221411267352451,-0.1674995341210273,-21.53565438698925,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.352098317984598,10.128689703367955,10.877833313542643,11.597740987238764,12.286772083903196,12.943658931237712,13.56761806905976,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_46,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2287971893647274,0.94684484793285,2.2902773225082256,4.250685211975724,6.116561010992417,7.334123309484239,7.967640987751047,8.262223972258429,8.37246913220146,3.5543448421627084,0.7436911813975158,0.0246446336309936,12.944754932525203,6.536973600588405,7.405349486853947,1.9063177237822968,2.3107428825810974,5.025283295564972,0.4039162341163688,5.542072755512049,0.2821617661360813,19.632039095232862,-1.7284194585825912,-3.863103472607466,-0.4039162341163688,-4.959749331513542,-0.0005795977453765,-19.632039095232862,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.140661346603936,9.910612491804352,10.662000282516727,11.390543190380363,12.092477473526968,12.764812951473802,13.405437190491654,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
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RSM1142_54,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.228691739821689,0.9486978098149068,2.279049275769262,4.184864765433897,5.9945626058693104,7.17728710489696,7.793354545101961,8.079976740937795,8.187267077893946,3.50952953013744,0.7449043025438169,0.0245092693424721,12.608904756865837,6.40089918660696,7.232677179015582,1.870581166283376,2.468119184653907,5.383181463107153,0.4466498206206288,6.041317749618937,0.2714137771770938,21.27359233568211,-1.998379021552381,-4.445580097556507,-0.4466498206206288,-5.571577586517412,-0.041241097257346,-21.27359233568211,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.211114554420874,9.95821246471476,10.689487476695849,11.400877378002738,12.088539121490712,12.749241019170508,13.38055767886681,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
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RSM1142_56,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1042210593213167,0.7428300408501016,2.28936740731516,4.470926527451431,6.41000994520761,7.629065709851763,8.252731013062583,8.540612736513248,8.648027368699122,3.716579497906797,0.534009366517317,0.0039215736391683,14.594097405201197,6.652242936613217,8.598596839940216,1.8888723522203856,1.2936258582133704,2.8410539917671414,0.2532577389543317,3.319687769848025,0.1008052463655779,11.533284070153488,-1.2389515313299462,-2.732014247947184,-0.2532577389543317,-3.2650134429646,-0.076475170902454,-11.533284070153488,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,8.331607983110981,9.022823949626025,9.712388382184455,10.397567319813028,11.074205344244548,11.737726736273649,12.383810247277088,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
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RSM1142_65,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1587840146673489,0.7809760261588775,1.898316731452892,3.6079763366079134,5.387411132388473,6.613552716347888,7.268208518404172,7.576101588470576,7.691867568035658,2.980964158468678,0.6048093730930248,0.0101430330987089,9.317834831744356,4.490566140630271,5.386466580008169,1.2964256958095757,2.0305332794098203,4.24284241412558,0.1851031125214324,3.5001083562760176,0.5550380762587831,13.819221392670515,0.1847755088698373,0.1811564606482787,-0.1840484415865641,-1.299564961084517,0.4255326933196555,-13.795315518146833,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1142,6.724350872782792,7.509962092476796,8.29145951142891,9.062617269207122,9.81826135645802,10.554006776606586,11.26620233149686,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_66,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2284751653018295,0.9480769649200772,2.278769533300516,4.186939996588468,5.997988777170756,7.180874928846329,7.796821037983877,8.083342789292695,8.190588656234802,3.510788365974396,0.7443915786319528,0.0244739927923004,12.625421354184972,6.40807519546773,7.239112391584709,1.8714494099672223,2.4545148054918453,5.353380621296965,0.4440622135547358,6.007012513929732,0.2701816062260588,21.15381829855394,-1.986107330055513,-4.418439300326046,-0.4440622135547358,-5.538605038493399,-0.0406619432622559,-21.15381829855394,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.197901164782438,9.947164669259418,10.680358088990094,11.393428720094253,12.082547673468628,12.744500924892296,13.376882901206,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_67,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2191903239361093,0.928756267660826,2.33812174975473,4.37466500506368,6.223926453025783,7.392074049727012,7.990147565690859,8.266238601035866,8.369253140338811,3.6623959901311296,0.7240345722953497,0.0236430553746723,14.022540245799195,6.9743131489317935,7.9339478465552435,1.960244469132456,2.383462452137232,5.2449330659754905,0.4766924904274463,6.197002375556802,0.166842371649606,21.451162069235085,-2.383462452137232,-5.2449330659754905,-0.4766924904274463,-6.197002375556802,-0.166842371649606,-21.451162069235085,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.401883206923936,10.19205924350237,10.952923811522355,11.682631136385693,12.379588643202768,13.042642559306737,13.671163870149895,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_68,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1041818817570702,0.7425715202260468,2.288351101109547,4.467812205524769,6.404943804527261,7.623070868212273,8.246377038695051,8.534120540389031,8.64148807748561,3.714273366615809,0.5338245542853972,0.0039198825508168,14.5668222581618,6.644367026070062,8.584310942088385,1.8876484916328475,1.2924582590912277,2.838413618830657,0.2529553445767426,3.3161010157051685,0.1008526542142036,11.521398186990991,-1.237095186676199,-2.728000275359745,-0.2529553445767426,-3.26073794329014,-0.076216086989516,-11.521398186990991,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,8.331242075795442,9.021931291562318,9.711226806717306,10.396315130134418,11.07297745087896,11.736591735577305,12.382804712619029,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_69,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2200799758655077,0.9333820319912548,2.3326793839483897,4.356476608056543,6.223394432909578,7.414341760238632,8.026617656996066,8.30973397082914,8.415438108187617,3.645003072463346,0.727904888199216,0.0235289713241179,13.994823472112287,6.852033545052566,8.00345483500936,1.938976728228728,2.390198357769296,5.25975577658594,0.4780396715538592,6.21451573020017,0.1673138850438505,21.511785219923663,-2.390198357769296,-5.25975577658594,-0.4780396715538592,-6.21451573020017,-0.1673138850438505,-21.511785219923663,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.36343255713897,10.138341144277172,10.886112795356496,11.604891542904458,12.292986761184231,12.949092738400996,13.572396475408777,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_70,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2287808828443283,0.946869566529083,2.2902558547954626,4.250097973628846,6.115096243377686,7.331956853189902,7.965074315533177,8.259463530590676,8.369634958263056,3.5540104120293257,0.743703306953992,0.0246345413258703,12.939915222548109,6.537267574162594,7.399186995823672,1.9062764601522144,2.3080442317903875,5.018870477316815,0.4029171929677419,5.5313817755323225,0.2828138151681459,19.59856501830677,-1.7211276978870316,-3.8475318708786888,-0.4029171929677419,-4.944465241628967,0.0007717800907268,-19.59856501830677,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.138882009648508,9.90904083083303,10.660698586796444,11.38952665144003,12.091735896776727,12.764323158439815,13.40517031627608,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
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RSM1142_73,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.220315735459009,0.9330312666705262,2.3261078389280034,4.350496478164136,6.236931342291625,7.448324277689735,8.073145161830183,8.362487381736248,8.470582074039724,3.6363288487744407,0.7279342629886636,0.0235644720296979,13.997516496986163,6.793398352074779,7.986325595858657,1.915003944599039,2.541638423634452,5.585357474737263,0.5009077356785017,6.548900309062466,0.1918270941201404,22.726346831742298,-2.4674389331505644,-5.437377720890721,-0.5009077356785017,-6.474700818578579,-0.1588083208548104,-22.726346831742298,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.376330365311915,10.141600175213268,10.882032336835747,11.59519115123382,12.278952243464438,12.931699399016942,13.552399633656425,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
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RSM1142_78,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2287813616111952,0.9488467834699182,2.280411222655317,4.189369257280867,6.001304774729725,7.185029352208723,7.80150261701634,8.088290734296521,8.195639729682746,3.512962254988414,0.745036304584807,0.0245311880522468,12.63265444296014,6.411286021868929,7.247929561296553,1.873813235767571,2.45996506340568,5.36513624052198,0.44491960378216,6.0193218936629584,0.271051713126247,21.1982173926716,-1.98923097441592,-4.4255509988984185,-0.44491960378216,-5.5485878046732,-0.0403920095212646,-21.1982173926716,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.20641287729672,9.953872798084932,10.685447566805232,11.397082148973828,12.084943047700207,12.745808497450628,13.377262060806082,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_79,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2192884516467838,0.9290308124133376,2.339726402668749,4.379513290382767,6.2314264552611816,7.400975373050704,7.9996872145719795,8.276055832825786,8.379171261648011,3.666103500106018,0.7242605052489477,0.0236535732902969,14.05417015110693,6.988386040021245,7.95073518907484,1.963515332323808,2.38220410618678,5.242164010277532,0.476440821237356,6.193730676085627,0.1667542874330744,21.439836955681017,-2.38220410618678,-5.242164010277532,-0.476440821237356,-6.193730676085627,-0.1667542874330744,-21.439836955681017,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.400956286155411,10.192240332254888,10.95396349341722,11.684305136516478,12.381708241925216,13.04505621148552,13.67375407069014,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_80,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1043144940159579,0.7431600940245935,2.2901063634724905,4.472053482086591,6.411401726756919,7.630619907852108,8.254369716653509,8.542290895267431,8.649720325998382,3.7175906135479857,0.5342752134149927,0.0039292155629765,14.600190084169704,6.6553753377230125,8.603643029513362,1.8903153997767472,1.2914439793221644,2.836176378829679,0.2527473823420915,3.313423038058897,0.1007912289069416,11.512167543452652,-1.2360298440987505,-2.725661198246862,-0.2527473823420915,-3.258008902835482,-0.0761319387325222,-11.512167543452652,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,8.33681392106927,9.026695524840193,9.715157942498704,10.399446831913467,11.075373473635768,11.738329282300644,12.383964720609828,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_81,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2203220787701945,0.9339245983327444,2.333140773552653,4.356064069167628,6.222695304430666,7.413822311737659,8.026292747386064,8.309520976365917,8.415270340737248,3.644870240328229,0.7283810216906292,0.0235742554999223,13.997848004504233,6.849773511374368,8.007556302156818,1.938648140533332,2.4015611317764662,5.284760151652967,0.4803122263552933,6.244058942618813,0.1681092792243524,21.614050185988194,-2.4015611317764662,-5.284760151652967,-0.4803122263552933,-6.244058942618813,-0.1681092792243524,-21.614050185988194,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.32402872737367,10.101396037520136,10.851465318984172,11.572392297388324,12.26249302692629,12.920467914410247,13.545510661818904,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_82,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.228637170028295,0.9464827382282672,2.29037995648187,4.251694818435572,6.117064041256191,7.333693314050268,7.966586381987735,8.260852108432402,8.370974550995593,3.555186715876632,0.7433750053465786,0.0246097073227989,12.9547469722954,6.542075118914458,7.409371217299616,1.9070790886086344,2.3175957608224222,5.040593021756627,0.4055087169268235,5.56166549623701,0.2822478308292196,19.698153142648582,-1.7374914084458126,-3.882837158750926,-0.4055087169268235,-4.981561143860402,-0.0016082710195565,-19.698153142648582,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,9.13237435401486,9.904387479863082,10.657546584320658,11.387585064133582,12.090764385778767,12.764123565935703,13.405579823036408,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_83,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1585663656295514,0.7839683641156369,1.935135876849544,3.69622875940219,5.482060205729552,6.686518904982193,7.322255388641192,7.619661901620432,7.73123525577589,3.054945262535198,0.6058633719318602,0.0100986836052986,9.58384620357646,4.683521078556301,5.495069162293614,1.3394272543870758,2.145895888675816,4.51032544556108,0.2237204100643702,3.935659169190778,0.5354479015900439,15.203887644666487,-0.0913082119678864,-0.4127585125186208,-0.2237204100643702,-1.881071492482848,0.3788436145449849,-15.203887644666487,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1142,6.706153639575651,7.478950414994843,8.251449368052118,9.016595918693346,9.768534120641464,10.502322403970068,11.213861787156375,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_84,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0988391042245531,0.6090842637746435,1.892875971793437,3.97186619739572,6.002960298908377,7.335004385646176,8.028344895404366,8.350667777164233,8.471273710429626,3.222502210422413,0.445316934127679,0.004963534820822,12.824639389266991,4.920470988459708,7.762514206817247,1.1786232708638609,7.534474993911933,17.49673823028491,0.638013178141054,4.344445843087837,0.6717469150451114,22.380735762191023,3.7938577117145225,9.546324103922752,0.1646450066285454,-3.985774995979239,-0.5282785762016714,1.6526546661476873,41.0,98.4043,3.0,1.0,0.3999999999999999,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1142,11.037016529669735,11.781983925006092,12.503639088178106,13.199058742314271,13.865339128939755,14.500124997116112,15.101828102656224,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_85,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975738104851864,0.6043923087052356,1.867670735146944,3.909199322293556,5.919964942757605,7.247946855474694,7.941684853544901,8.264720843490949,8.38567549745142,3.1718700022204724,0.4419827284931633,0.0048269784261459,12.740794880546677,4.62283598606213,7.792047549526959,1.1142368185174647,8.593126698304744,19.97518774552831,0.7611576849590798,5.289789259674202,0.7183357173375995,26.03525832877395,4.035691761459408,10.251233486074982,0.1478035006831636,-5.083440337020705,-0.6357961482762011,0.4693463444698343,41.0,98.4043,3.0,1.0,0.3999999999999999,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1142,11.393901675144468,12.106885072612537,12.801901152444506,13.47485998455648,14.12190384650567,14.73993980404116,15.32682759567619,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_86,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0987471425610045,0.608175710315028,1.887870909009564,3.960541244898743,5.9861753865235725,7.314872690214256,8.0065242173912,8.328072378759318,8.448390010012144,3.213347469538405,0.4447815816919943,0.004954786342236,12.773194794281382,4.887475266452432,7.7393067554289745,1.1703111010626626,7.50191724621694,17.415211651927727,0.6373938776345991,4.379997579344751,0.6717861867365273,22.40266288730593,3.7290687662660487,9.39449921847695,0.1581936082959474,-4.022040541245898,-0.528603371496987,1.44486692326561,41.0,98.4043,3.0,1.0,0.3999999999999999,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1142,11.069686785059176,11.816208320736289,12.539114402983191,13.235367610533032,13.902049507917818,14.536842973142951,15.138220720352129,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
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RSM1142_88,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.098798380955372,0.6083559655775028,1.888635875058568,3.962804195124806,5.990437721422272,7.320648230074338,8.013131732591823,8.335074925135716,8.45554157263407,3.214998882207701,0.4449186453606483,0.0049596928435109,12.787322763605886,4.892978837172414,7.747288360862278,1.171488818786483,7.494287812750559,17.397128233272614,0.6366392812903144,4.37589537545159,0.6715292560030598,22.38195956383852,3.724540839036297,9.383203334283508,0.158022656221442,-4.017446536325409,-0.5281497203525871,1.4450503654527036,41.0,98.4043,3.0,1.0,0.3999999999999999,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1142,11.060966525042552,11.80814535525878,12.531697207594766,13.22856266260314,13.89581309674184,14.53112780924803,15.13297964162159,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
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RSM1142_104,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0685934210120681,0.3533032116511993,1.2368494725496442,3.0305609186452296,4.974660776154447,6.3085510687224575,7.01658044209845,7.348512475027145,7.473140495763048,2.3527868697731327,0.261539596497671,0.00485440687979,8.677529365422131,2.4833734521535016,5.449136106906066,0.3421644080195071,9.32844095563784,21.45322464026228,0.8544074101446444,7.444569133980819,1.0304972229959033,28.91330486913371,2.297067181447726,6.567621367473704,0.0175057001367732,-7.444569133980819,-1.0304972229959033,-0.3782549811417763,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1142,13.729457678970835,14.647381589111165,15.459792008979711,16.182764834544898,16.829427685466197,17.41044482794734,17.934511071557537,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_105,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0680746543080754,0.3830699134292158,1.3717943541351174,3.214892046263988,5.1490133212335385,6.467118355228393,7.1658808628124335,7.493384199960657,7.616342205088457,2.530668040486188,0.27712558050226,0.0047068284777719,8.734477106349543,2.9010492715513965,5.477527484406897,0.5994762272704478,11.427720770919093,26.6258619457314,0.992828088320083,6.916160291870689,1.0579126265303307,31.815093977190354,5.177859476559664,13.398402068964176,0.2525904302408237,-6.916160291870689,-1.0579126265303307,5.906775944416277,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1142,14.581008328916036,15.413384864761412,16.149007000255775,16.804139888366382,17.39131758392762,17.92030691662489,18.3988447787224,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_106,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0685098544046906,0.3768025046287198,1.3328183069193158,3.153131562857741,5.10219405976719,6.442956776026713,7.15637329674993,7.491242531469417,7.61703954251335,2.4718057898584305,0.2741585281120318,0.0047857290614165,8.825467200206894,2.7497074001970345,5.532632556820372,0.4412776931717259,9.966325896573448,23.077092884243807,0.8924903691386076,7.0030935099123175,1.0026112030227838,29.288546958668253,3.504547889786541,9.391619494281814,0.1178251648383915,-7.0030935099123175,-1.0026112030227838,2.1752648081607044,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1142,14.4581821929845,15.3068908548689,16.057955901126242,16.726931026620164,17.326136784372686,17.865383402783458,18.35256967761273,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM1142_107,RSM1142.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0678634467674828,0.3705718053876466,1.3510597934837607,3.2165748616814827,5.144308771792898,6.441247136830778,7.124540618755487,7.443932427379761,7.5637136861783825,2.526265571932992,0.2694423722013713,0.004725289789275,8.980646744353276,2.8631153673963694,5.617448545316646,0.4960240058349945,9.703634275126705,22.39723221468488,0.8827581866362106,7.309173726295223,1.0175205587518066,29.28990175706048,2.905067114101514,7.993394656758012,0.0628944175559059,-7.309173726295223,-1.0175205587518066,0.5946698392498279,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1142,13.682920611769758,14.60278385908648,15.419160782384264,16.147086456051163,16.799023862014106,17.38522947390598,17.914162939115478,[Cd].[O-]C(=O)c1ccncc1acs.cat0,"linker [O-]C(=O)c1ccncc1, nodes [Cd], topology acs"
RSM0025_0,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0006165494500007,0.0901154459489321,0.9989883477587216,3.2229514051627755,5.580188205927816,7.141873913117497,7.954641119623376,8.332187499939518,8.473395671272993,2.379897298161417,0.0407958282466597,1.0960693540550273e-07,10.928751252057843,2.791516483227776,6.927640990486364,0.2328454935941874,42.58341187135525,101.82609677321938,3.2554916871937483,4.993471749357238,1.1106607261428032,82.96735874678622,-42.58341187135525,-101.82609677321938,-3.2554916871937483,-0.6273453689052323,1.1106607261428032,-82.96735874678622,-41.0,-98.4043,-3.0,3.0,1.35,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM0025,15.642113619503556,15.793408774317689,15.912847056936034,16.008636349891997,16.086536583665747,16.15067715247881,16.204075312024163,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_1,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0102078412357375,0.2634740418252981,1.221635741982502,2.900762450222173,4.681508186522026,5.91784381350933,6.580231568872852,6.892232883168879,7.009616238862213,2.278958366412102,0.1594986863632252,2.906542147924521e-05,6.59744684999965,2.5897849300699454,3.905422773386196,0.461580164717463,23.1031452927376,49.11022858022428,2.2206290585475186,5.103145292737594,0.5627798295083684,57.92830763463834,-23.1031452927376,-49.11022858022428,-2.2206290585475186,1.1318222388822574,0.5627798295083684,-57.92830763463834,-22.0,-46.6827,-2.0,4.0,0.6399999999999999,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0025,15.340026542033373,15.905780522077912,16.372952096652853,16.76083510323188,17.084976285509754,17.357716923424412,17.588800539003074,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_2,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.182646199357983,0.7162435753985528,1.939232312277834,3.9122134459704734,5.922302430926267,7.284039234798934,8.00490331648679,8.342631068317768,8.469411956394772,3.192411273945597,0.5525268739114563,0.0288814098001084,13.46004151065079,4.575815024164448,8.229576456315119,1.2905152675026186,6.070855087696259,13.752273452379976,0.8012056740578825,8.37327844749281,0.4393345024312151,29.83734377823699,6.070855087696259,13.752273452379976,0.8012056740578825,8.37327844749281,0.3777261719412174,29.83734377823699,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0025,3.0409894519715794,3.558931564616517,4.096164735636517,4.64555411434509,5.200196525924685,5.753928665905945,6.301635477498251,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_3,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1369865056807081,0.7105169881636113,2.345381382248074,5.101791064312815,7.773144706899999,9.504813680937463,10.40028325433667,10.815305793639824,10.970399461932123,4.107856200752861,0.5190676983873229,0.0151186197135797,22.87516575179737,7.910777494725777,13.67935069564379,1.7085978238672477,1.3658490700372867,2.978257834265216,0.2372648071843446,2.7219755757937047,0.0853236025785329,10.01157341773984,1.3658490700372867,2.978257834265216,0.2372648071843446,2.7219755757937047,0.0778389518167082,10.01157341773984,27.0,57.68546,3.0,14.0,0.8399999999999999,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0025,2.794124350286235,3.246675390974876,3.740301388214698,4.266643155304901,4.816335043678044,5.380398712601595,5.95100877184143,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_4,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1351795661809567,0.5590282304059003,1.7760026967877496,4.061004029668771,6.380980275027367,7.916166800556244,8.717847755433239,9.091066347901943,9.230799503764729,3.218764376565585,0.4253597992907411,0.0172534132847286,19.08748823233456,4.801430325442833,11.515027568785326,0.3218991829630716,1.189658926159991,2.6005966842598927,0.2210073405731059,2.957717650744839,0.1188174586148731,9.52221920931746,1.189658926159991,2.6005966842598927,0.2210073405731059,2.957717650744839,0.1188174586148731,9.52221920931746,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0025,2.9633756911153584,3.4788837935259687,4.026324661141346,4.59560322575222,5.176820735379056,5.76124597466178,6.341779574052693,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_5,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1373006689408735,0.7008817620454053,2.3519471072473945,5.186589711498678,7.903691936865716,9.649794013986469,10.549215405973111,10.965396719608623,11.120823722381546,4.166930181121597,0.5137324426876304,0.0149856284741326,24.4963952769144,8.143954441433838,14.721722623758367,1.6825062974421674,1.1349261170688023,2.488510012779962,0.2182305556637259,2.880770562378609,0.0978296304698888,9.6015083111168,1.1349261170688023,2.488510012779962,0.2182305556637259,2.880770562378609,0.0978296304698888,9.6015083111168,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0025,2.967787160321862,3.4576514359075,3.9831555531208975,4.535221061764074,5.104468766841046,5.682330141323174,6.261612874022115,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_6,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1874975994100146,0.6787404505120044,1.9264080784240645,4.014853154718379,6.062755156005782,7.411028708867821,8.114991725040504,8.44280311361198,8.56555484362436,3.260692028649642,0.5276136898134938,0.0316057330410341,14.304755070255611,4.888818674497528,8.166617972257331,0.7839070396245541,8.306690048965672,19.043506385676807,0.9708313194371992,8.666763331110042,0.493578366414068,33.83131938912881,8.306690048965672,19.043506385676807,0.9708313194371992,8.666763331110042,0.3824797073137696,33.83131938912881,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0025,3.9065527850240778,4.4450092766697935,4.996764170871881,5.553564998914517,6.107949838115912,6.653573632965926,7.185343851471728,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_7,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403730947909387,0.5886989361256066,1.955039637186846,4.439272590853275,6.825155059521674,8.344518192388124,9.122450686951382,9.481360908991713,9.615231673622713,3.5406824627695506,0.4434094639117406,0.0186306053486826,18.976333672931275,5.818245132881185,10.911385082316295,0.6092854108908667,5.001798802060378,11.16105498475164,0.7915988186214905,9.449947800354597,0.3989081301224643,32.26767788654938,5.001798802060378,11.16105498475164,0.7915988186214905,9.449947800354597,0.3706799380234045,32.26767788654938,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0025,2.688270693098905,3.137309410463959,3.6262985395976615,4.146567497051698,4.688508789476922,5.242893720571693,5.80165435529142,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_8,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1331690061238699,0.6894444242161382,2.333552782344648,5.0767374707586175,7.631982227556469,9.246899042499445,10.072212922077536,10.45278201569162,10.594707448144089,4.100764736131365,0.5029810234518155,0.0143944703722375,22.819286992396552,7.97863153487302,13.491527575822383,1.6713420953377292,1.5867010943884656,3.466539028597932,0.2928190818946317,3.92925374954552,0.1625634642716214,12.563830260681891,1.5867010943884656,3.466539028597932,0.2928190818946317,3.92925374954552,0.1625634642716214,12.563830260681891,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0025,2.639455012455251,3.1230790565765862,3.646401104125325,4.199890343479962,4.773705847102813,5.358827513923485,5.947629119962673,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_9,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1462462278126111,0.5927455342471961,1.8805551958317008,4.261340628048389,6.659995139121822,8.241692266046552,9.066234302315094,9.44978691828954,9.593340253370132,3.386962787740606,0.4510493803134731,0.0200042726270151,19.98703280427653,5.368669420229923,11.87607183635333,0.4397180890459014,2.412132893956949,5.262929743003297,0.4383359602108276,5.918820575643571,0.2614396015961667,18.622852744973187,2.412132893956949,5.262929743003297,0.4383359602108276,5.918820575643571,0.2614396015961667,18.622852744973187,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0025,3.1952497641228748,3.701406288488745,4.237343649913785,4.79388115150894,5.361617688133263,5.932023375980699,6.498021582224631,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_10,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1809307494240814,0.6264671335926878,1.6206983885371569,3.365506704670292,5.188145481408467,6.429588848153824,7.087938948643532,7.396601872293941,7.512506025318022,2.719587736114207,0.4974867970410026,0.029516802744111,12.14134616235576,3.096889292838675,7.36651098578677,0.2586482279607096,2.829689764044183,6.313359537483529,0.4012495768422202,4.755663163680557,0.2773002289360521,15.223044773835884,2.829689764044183,6.313359537483529,0.4012495768422202,4.755663163680557,0.2580398807095312,15.223044773835884,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0025,3.967657780578354,4.510979550184473,5.062719917169741,5.616415212711405,6.16615755194479,6.706932945820201,7.234799518245019,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_11,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1301959851829164,0.6801908370039083,2.2519657620382003,4.904860009241897,7.45940071022088,9.10913977399893,9.960995928360692,10.355587773460256,10.50301598433985,3.9502660787646575,0.4972730084463181,0.0136719908694216,21.68877802640956,7.233835249174475,13.151831888838773,1.5810973123339211,1.4626648282652932,3.193069333299161,0.2675019907716723,3.6026807544386714,0.154951585229482,11.411815212690591,1.4626648282652932,3.193069333299161,0.2675019907716723,3.6026807544386714,0.154951585229482,11.411815212690591,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0025,2.5154004913753463,2.967252722211007,3.4633784016243623,3.994833528630728,4.551966121887526,5.125631742916537,5.7078544486224425,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_12,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1429698843440542,0.5786615355576764,1.864811018137844,4.261489449521405,6.665612763328191,8.245423888075244,9.067632909027154,9.449828611881683,9.592832737137208,3.3821505995906787,0.4398880297994359,0.0194259564318866,19.621368616519028,5.230758341277636,11.719905528337032,0.4318855573830595,1.808309364066628,3.949731690881996,0.3327723025978788,4.4704877848496585,0.1872497529371019,14.25251436151838,1.808309364066628,3.949731690881996,0.3327723025978788,4.4704877848496585,0.1872497529371019,14.25251436151838,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0025,3.038569487552887,3.5552059195507963,4.103233001099314,4.6724950643471965,5.252900918823282,5.83549406605015,6.412975822966781,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_13,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.137047386559595,0.7001540397580042,2.350748930804781,5.222988447210292,8.013524049778828,9.819007376145484,10.751602757274696,11.183617193134593,11.34502807522209,4.184209797355607,0.5132540634265216,0.0149471811009839,24.72042175832529,8.247037545704412,14.895415349180215,1.74782635181365,1.3067312752687328,2.8668170936162527,0.2492549318693142,3.0891725744956817,0.0834103071458563,11.004873778391572,1.3067312752687328,2.8668170936162527,0.2492549318693142,3.0891725744956817,0.0804882373762851,11.004873778391572,27.0,57.68546,3.0,13.0,0.3499999999999996,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0025,2.9373450842846154,3.4376567668374207,3.973019646029591,4.533907800055188,5.110744213552629,5.694932813826521,6.279356610802656,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_14,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1715809873661236,0.6624957627665474,1.980200879502073,4.250805802257551,6.45678373389991,7.886313653980841,8.625547206785042,8.968187573969624,9.096238720367625,3.430164308955636,0.5085750400980156,0.0265496538340656,15.499130522656014,5.54043292317516,9.037828293896116,1.131042794916035,4.942644121996648,10.979925500288504,0.7525427886728727,9.226535109357242,0.4809867537571468,29.701225919140235,4.942644121996648,10.979925500288504,0.7525427886728727,9.226535109357242,0.4549399839268109,29.701225919140235,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0025,2.8741914524422114,3.365914859889627,3.879462321710161,4.408855205339659,4.9477510411821815,5.490107011428397,6.030638205626202,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_15,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1480610681466743,0.6160044903256502,2.064205408263743,4.714985974077632,7.276116519920946,8.913215609520803,9.752873854090756,10.140544071082289,10.28518426663856,3.754125766639093,0.4635314295334762,0.020493222231774,20.52260024934859,6.653778329499762,11.685386956909598,0.84097697899283,7.538517957427389,16.615635654493225,1.037862389620719,8.766969865313385,0.2906462550963549,39.20376723324792,7.538517957427389,16.615635654493225,1.037862389620719,8.766969865313385,0.190422166672961,39.20376723324792,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0025,3.0608467391289675,3.521460851219796,4.018442863082553,4.543620261903308,5.087579800145654,5.641208564810588,6.196580008432322,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_16,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1347051676786787,0.6851557869918558,2.334858447592273,5.202650862406821,7.941274085119266,9.689989289321028,10.587099037378476,11.001373085635208,11.155952964098192,4.170824927767179,0.5016007511965128,0.0148120669114429,23.825192396281142,8.308165836591014,14.022315121702109,1.6784318538503802,2.09376043990315,4.577902303794533,0.3843174725121879,4.838642814151484,0.1667586572093656,16.574702621701338,2.09376043990315,4.577902303794533,0.3843174725121879,4.838642814151484,0.1622062454143056,16.574702621701338,27.0,57.68546,3.0,14.0,0.8399999999999999,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0025,2.690929891301742,3.1937296784138702,3.734817294740157,4.303635525239809,4.8898461215396045,5.484310415352706,6.079529101734509,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_17,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1486670757137773,0.6089867965338515,1.9636312179986983,4.502072431245179,7.104957110374052,8.83860991234846,9.746236037920433,10.1691731235514,10.327575791726009,3.5638856801770245,0.4612668941597059,0.0206029446983491,21.44025120078402,5.994213765396251,12.532097021912314,0.4552690199054767,4.44422771593537,9.62026326734137,0.6700755518252742,6.0832077781268055,0.1821418338798398,26.27913191341125,4.44422771593537,9.62026326734137,0.6700755518252742,6.0832077781268055,0.1307479737751198,26.27913191341125,27.0,57.68546,3.0,14.0,0.8399999999999999,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0025,3.306366427753147,3.813143462549317,4.3486322065532805,4.903881901714134,5.4696321318269865,6.037445431632438,6.600313825815401,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_18,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0989954827530561,0.421745732981319,1.1637028055229244,2.663162989141472,4.454021379242489,5.756228964437818,6.466028447031589,6.802630291314006,6.929603848363856,2.07776195589783,0.3269988255335946,0.0096703817285993,6.136772572532821,1.9690864612790069,3.9439976783752,0.575315007205806,6.874450759842379,14.783070579442136,0.8373296552112709,6.636358561151058,0.3876246459542347,30.26141719519626,2.545457523703736,5.256895855670777,-0.0284689920164573,-6.19895206952176,-0.1732954650558783,-10.886554388198006,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0025,14.758537387991876,15.430561863371548,15.98506589833693,16.450318152167487,16.84819780401253,17.19534445511404,17.50422517442955,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_19,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1019205967272094,0.4295815375138661,1.2261285589689634,2.800646320079444,4.552358614645182,5.770622447743097,6.420862807445721,6.726392487056409,6.841210506828671,2.2001012223212606,0.3325893332944485,0.0102750208014273,6.149494716542898,2.5563916435623635,3.4048852489505963,0.6737644716833254,6.078238877055062,13.271845039113858,0.6309335963999185,3.934370869341704,0.3340946827039754,21.154846881671336,3.784211710461294,8.223718969611609,0.1721281630811651,-3.4114160068728774,-0.0778468000942503,-2.106171930016705,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0025,14.66027349851766,15.319434246833232,15.859076543636496,16.308593845504085,16.690443475499592,17.02160384076991,17.314780056128466,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_20,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1026256361186811,0.4350734675423157,1.3145635003955505,3.257943561499136,5.471289484293968,7.001058350607551,7.812053681115104,8.191710010844822,8.33415036516389,2.5036494976317645,0.3361128505915279,0.0103547118061015,9.844492483167684,3.3792970112695286,5.862214914414413,0.7070373606021095,6.306891159204001,13.62397103074114,0.677729438891706,4.561169961939263,0.3799900194061227,23.43030807086387,3.626461721619153,7.72554667100493,0.1416435513747364,-3.9218394540781474,-0.0667180705541759,-3.890209406705328,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0025,14.43654241473583,15.150665708062942,15.739625458522749,16.232786229604095,16.653025247407584,17.017893027917367,17.34067956956573,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_21,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1066611046931511,0.4305010722497445,1.1553261583128325,2.7202252810350287,4.601405167751682,5.950375038624852,6.6783848779814665,7.021897803956138,7.151198088470172,2.102992979788372,0.338056598016517,0.0111873440022907,6.834368704882164,2.1197402976496185,4.347742913346787,0.6312373366973812,5.267854186582699,11.26813372456789,0.5761653971315479,4.00167339800597,0.3376392695826289,20.204010663414223,2.9378653657456595,6.1408721648973,0.11016763296414,-3.403318544167392,-0.0444453912017258,-3.757662993312025,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0025,15.334638319457396,15.934096022007168,16.423392170518067,16.82973095690184,17.17385556304659,17.471493016733497,17.734479966867536,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_22,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3124280558886065,1.2920735040176614,3.1548885512071467,5.68793231011808,8.020673801069199,9.529510275297024,10.312489363686812,10.676216530063712,10.812287567779585,4.803844939092765,1.0072683465457262,0.0367101345549801,21.479532217880607,12.22243511109406,10.99534586629613,2.932164498112336,3.236804470310072,7.081607160609307,0.6071272222910596,8.09382224863855,0.3110670236407096,28.32656679737155,-2.834467752600525,-6.278543072061053,-0.6071272222910596,-7.691485530929002,-0.1139220319630317,-28.32656679737155,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0025,9.583518814825686,10.258956212718552,10.931306203870715,11.59468008909806,12.242392246485146,12.86852100372911,13.4685450651494,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_23,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2932678600501235,1.249784228343383,3.166244548016877,5.770470037207632,8.092339635349322,9.565403721121806,10.323600270478416,10.674646993576468,10.805802373326795,4.871559842581117,0.9672975127453856,0.0329060201850919,23.0374404280059,12.634272041702284,11.907400659140936,2.9661062041382293,3.067155833066511,6.749435902766179,0.6134311666133024,7.974605165972929,0.2147009083146556,27.60440249759861,-3.067155833066511,-6.749435902766179,-0.6134311666133024,-7.974605165972929,-0.2147009083146556,-27.60440249759861,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0025,9.688054758690487,10.363190467115698,11.030576173374198,11.686318409698696,12.325157539205543,12.942120232623123,13.533274291995966,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_24,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3042265518175502,1.2531977111365808,3.172586632772356,5.824014513161517,8.212844883150899,9.741893643359209,10.533024539021405,10.900244142210251,11.037589411671563,4.905588279873977,0.974195673142767,0.0363185462996396,23.79487861103541,12.67845146678739,12.505281814479767,2.9425494124011147,3.014743771497169,6.634100435855639,0.6029487542994338,7.83833380589264,0.2110320640048016,27.132693943474525,-3.014743771497169,-6.634100435855639,-0.6029487542994338,-7.83833380589264,-0.2110320640048016,-27.132693943474525,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0025,9.660779403097548,10.343271322033166,11.02065994173926,11.686879825631692,12.335493956976034,12.96095073163741,13.559092753761943,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_25,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3001765562817691,1.2799632269405583,3.1395254481413355,5.579647345572349,7.757952707980812,9.148105978724493,9.8659507344123,10.198796795758415,10.323226121302616,4.739349450983612,0.993545221437638,0.0334166864163396,20.313475792659723,11.941543729901865,10.26552734537434,2.887230154032563,3.2477405718456787,7.109893267987406,0.6134411656531671,8.155269897071015,0.3031664323327312,28.507526172291737,-2.886671084685993,-6.389198571616674,-0.6134411656531671,-7.79420040991133,-0.1262423836244852,-28.507526172291737,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0025,9.650453649960664,10.305615148102424,10.957662675409887,11.601836038925486,12.232152201275587,12.8430439289591,13.430092798457194,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_26,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2993812434505553,1.2529925604614776,3.17990330699605,5.789511347311696,8.077274956651042,9.514494682772522,10.251244747424586,10.591809370849488,10.718968044200478,4.894042548797512,0.9718898519894904,0.0346665582045727,22.90300597587331,12.714140887932995,11.75646833747964,2.988464534686876,3.0287474764131472,6.664112417483714,0.6049634856301286,7.868455361454177,0.2136629436191722,27.24300709466831,-3.020887379888138,-6.648423664819793,-0.6049634856301286,-7.860595264929167,-0.2098114963219173,-27.24300709466831,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0025,9.579580513360542,10.262629288245266,10.937913782699765,11.601176613758325,12.246972588815131,12.870242337362315,13.467025854737674,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_27,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3020980112998884,1.249868140316925,3.146818983905434,5.781508175275842,8.18669145546136,9.736641802991752,10.540593809035204,10.914106276556929,11.053852606187586,4.8643614335909096,0.9717894020237066,0.0356848290031256,23.67136650144589,12.52978981437836,12.578313791956484,2.921429559432166,3.015598670761709,6.6359816861420216,0.6031197341523421,7.840556543980445,0.2110919069533194,27.140388036855384,-3.015598670761709,-6.6359816861420216,-0.6031197341523421,-7.840556543980445,-0.2110919069533194,-27.140388036855384,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0025,9.715860508567442,10.402755924491665,11.082215299504206,11.748766275952566,12.396460121752655,13.0201337085209,13.615929855610174,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_28,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1019484962701702,0.4694713363752151,1.3198566969348435,2.975359361538165,4.903186746695723,6.284449587944072,7.032011867549684,7.38540399988335,7.518537700585147,2.335057492073095,0.3586889279679155,0.0096885421400498,8.086440695415753,2.6640850911425007,5.401549849393291,0.5550255122653985,4.776991511182247,10.307972874689442,0.7558936782526459,10.824140937203412,0.7533491161487447,31.44389433843769,-4.776991511182247,-10.307972874689442,-0.7558936782526459,-10.824140937203412,-0.7533491161487447,-29.02759992177398,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0025,17.272912631319365,17.730378141671007,18.10541262988277,18.41922981413803,18.68779575474388,18.922999892271736,19.13358856058976,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_29,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0995449576389899,0.3616385257807628,0.941013870259442,2.324490924414983,4.022242061127867,5.249492810026235,5.914817073636489,6.229458009999124,6.348006289438647,1.7726187908484607,0.2920428107590205,0.0102689554086244,5.423643802067182,1.5565647700653564,3.361710900042263,0.1708746218608902,7.159698270649855,16.330154229023403,0.7967206920342211,7.909647664360484,0.7067472023548629,29.071210933345856,0.2782521114497813,1.5217067657387229,-0.2524804201732723,-7.909647664360484,-0.7067472023548629,-12.89683355495388,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0025,15.956580032781586,16.30692410812235,16.591717790775732,16.82900200694457,17.032086727556997,17.210756971779208,17.37213564489751,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_30,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1000686471815133,0.3857192938845021,1.2061493795398412,3.1748075788267536,5.444052084363647,7.01633625811602,7.850695802926935,8.241463137869978,8.3880994407582,2.404940751427376,0.3032222436899673,0.0103468690649312,9.900755462895416,3.059976100584899,6.029882841267233,0.4956922865998566,10.895870241772684,25.522017323988045,0.9881017150976724,6.110132133805567,0.7176649982210619,31.201184549239223,5.888407983346298,14.762010718647948,0.2400162038134722,-6.110132133805567,-0.7176649982210619,1.2777640978712177,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0025,15.156521840902627,15.635696206059036,16.027333541713578,16.35372378911702,16.631641841022493,16.873629826349177,17.088982046375985,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_31,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1041838970211529,0.4071453025840703,1.2780215586708177,3.218919755161908,5.415044288120512,6.93764403767801,7.747465660116084,8.127248226929295,8.26984890750419,2.469103661690076,0.3170743718525681,0.0111788385829564,10.21278923727192,3.23159227464865,6.538590897221833,0.6655118636097499,9.925475931354748,23.013273351558816,0.9770157393994736,7.625188089631272,0.7819406836882272,32.964326911721365,3.454297101990088,9.099585172957646,0.0019920435281972,-7.625188089631272,-0.7819406836882272,-6.036620923129701,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0025,16.899376618656017,17.36190353223983,17.739879117061626,18.05425275565084,18.32096154114561,18.55208258895177,18.756705843387795,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_32,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3541827078916001,1.152563813564532,2.569640001433789,4.712856028880765,6.840858161219695,8.260253158966782,9.005580843421347,9.35345359554903,9.483834890490504,3.938932087927454,0.936378826117472,0.0558822452867635,15.986684494051564,8.147198653294819,8.646297394183105,1.862540662236808,11.853361506858004,27.558037789889703,1.1828671139379716,8.967115137855881,0.8463223279698218,38.82825784396079,4.479429283488503,11.642373058171149,0.012215139014212,-8.967115137855881,-0.8463223279698218,-7.997821152989594,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0025,12.75660799449188,13.579833114581644,14.31760136854104,14.982156261537138,15.582912682867468,16.127406940989427,16.621912199149044,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0025_33,RSM0025.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3707001814315599,1.174138315462994,2.5462074250293405,4.482167910392082,6.331423852082521,7.550436660260177,8.188559170182275,8.486132407346329,8.597630681215177,3.7961588034373737,0.9580136701236772,0.0615259709683394,14.103623017354629,7.652528235375286,7.2138714370823855,1.7448259951078238,12.68623007109556,29.52760565303576,1.2617663712169431,9.391107695073298,0.8800544581646769,41.06399080937683,5.022137257164764,12.97433315380149,0.0339678235338122,-9.391107695073298,-0.8800544581646769,-8.047951097948408,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0025,13.04470340647546,13.788784538853532,14.469387017086216,15.092631807744054,15.663491802307243,16.186279297453748,16.664916250645245,NCCCCCCN.[C]#N.[Cd].[Ni]hms.cat0,"linker NCCCCCCN, [C]#N, nodes [Cd], [Ni], topology hms"
RSM0097_0,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0103199160761496,0.3133093490786918,1.5994146021462217,3.5618989710932727,5.262786925927102,6.313060388778825,6.846478056900965,7.092006748418959,7.1835192766652485,2.8874416272552845,0.1824685903097497,2.7394987152701503e-05,9.2005633003145,4.062499421963289,5.047372424580681,0.8049891871675885,20.01900996247998,42.73191251867195,2.0,5.980990037520018,1.5215405666964077,57.90495018760008,-20.01900996247998,-42.73191251867195,-2.0,5.980990037520018,1.5215405666964077,-57.90495018760008,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-22.0,-46.6827,-2.0,4.0,0.6399999999999999,-58.0,RSM0097,17.39677549085621,18.093221337909707,18.666908430159125,19.143070601564155,19.541334654532,19.876966899370714,20.16188036123697,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_1,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0103322740477295,0.313304464173204,1.598898905621162,3.560816155731427,5.261494065814907,6.3117443706794925,6.8451762198956425,7.090716729462381,7.182234474614,2.8865118760419826,0.1824965056550113,2.747816066796408e-05,9.196906042566718,4.059315449625731,5.0466671586186935,0.804562263494162,20.018976198854137,42.73184518218474,2.0,5.981023801145866,1.52155559150991,57.905119005729325,-20.018976198854137,-42.73184518218474,-2.0,5.981023801145866,1.52155559150991,-57.905119005729325,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-22.0,-46.6827,-2.0,4.0,0.6399999999999999,-58.0,RSM0097,17.364202156785446,18.06418353993015,18.64104028910284,19.119989738787417,19.520683327643024,19.858426532323325,20.14517406888118,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_2,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422416751381745,0.5155076361227371,1.4528729448554727,3.0264090823528456,4.584337930733544,5.615136049055841,6.1540423607834205,6.405058098597354,6.499057066425852,2.456416857220244,0.4020699055404046,0.0203831408398394,8.83892835076814,2.557249862656437,5.832978061715065,0.4544413481521449,5.938384695312131,12.768654788411428,0.8976026142478534,13.119205609294958,0.9595762876991728,33.14025952078909,5.938384695312131,12.768654788411428,0.8976026142478534,13.119205609294958,0.9595762876991728,33.14025952078909,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0097,3.2296204295876185,3.912783703615836,4.617756527586733,5.326356525837247,6.024471658038859,6.702049321824506,7.352592752341504,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_3,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420151723002493,0.5140169173424262,1.4821338491276153,3.245379494447666,5.022474597584486,6.185111113559387,6.786936296726554,7.065793141710743,7.169977723629515,2.596677989242316,0.4012953769115048,0.0203075822241922,10.132194477983868,2.744218563348788,6.755926527158384,0.6902973085857473,4.789576207598068,10.392835430552774,0.8154568053942896,11.313230650752384,0.6023799022668472,33.13409533960993,4.789576207598068,10.392835430552774,0.8154568053942896,11.313230650752384,0.6023799022668472,33.13409533960993,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0097,3.5796430430986805,4.231232506559517,4.89918566631984,5.568685162986078,6.228173508571393,6.869318740436238,7.486639751880016,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_4,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422474818707266,0.5153617142697462,1.4523500539925571,3.0251450493247427,4.58218143417578,5.612368253335956,6.1509571526135725,6.401826249600312,6.495770541840432,2.45544872820679,0.4019801671722814,0.020386997538823,8.830376085023294,2.553338332882199,5.8287653020129815,0.4547678534041348,5.933445644739787,12.758237527449545,0.8970526045942803,13.109866481494027,0.9584096782949298,33.12645409790066,5.933445644739787,12.758237527449545,0.8970526045942803,13.109866481494027,0.9584096782949298,33.12645409790066,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0097,3.2325660021084377,3.915786413625967,4.620760884180835,5.329320844212213,6.027365941944099,6.7048530297940285,7.355292728803398,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_5,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420268594874603,0.5142277395951886,1.4830783995129,3.247802926951061,5.026464729448973,6.190144048434608,6.792514188720018,7.071624830186428,7.175904453125715,2.598542873217549,0.401427633856343,0.0203086516383575,10.144759579262098,2.7492028506733424,6.764046224285872,0.6926655100599526,4.78988305997614,10.394017834196651,0.8160100809237922,11.31796370736648,0.6014790599572716,33.17129036478476,4.78988305997614,10.394017834196651,0.8160100809237922,11.31796370736648,0.6014790599572716,33.17129036478476,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0097,3.5820523208959583,4.233417593689596,4.901163593094595,5.5704730823939,6.229788605501364,6.870777858068103,7.487958991375255,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_6,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0986823959689287,0.7008537823152218,2.09366305826782,3.96390607456783,5.561345128704166,6.544979689200484,7.043730906237586,7.273098712766965,7.35855358077371,3.327638847426251,0.5064541192409998,0.0035193371755632,11.384325852130758,5.094987069937615,7.077477503987647,1.5581801680207137,0.5969979578523087,1.2338005254822717,0.0418789810375456,0.9320298061526736,0.1871410017988792,3.822569410012456,0.1782081474768523,0.3122317706809406,-0.0418789810375456,-0.1568237008235125,0.1578257150725974,-3.822569410012456,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0097,7.662399595149933,8.486105741522149,9.295812912978784,10.087158734442657,10.85557548424916,11.596883696439306,12.307670146657648,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_7,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1009212196108252,0.7099188491577415,2.132984829179484,4.037013506982432,5.630469270027668,6.595921372527005,7.081270328765926,7.303589643236496,7.386280519146574,3.393279146669236,0.5132630139357749,0.0036690336195549,11.55881490184081,5.357283184659937,7.123664834855912,1.6097352117097892,0.5313836353813436,1.0665652835400337,0.0065957947228942,0.5841499931644972,0.2240986026392713,2.788834071364602,0.4654256881524016,0.921421390849491,-0.0065957947228942,0.412659330369248,0.2194815463332454,-2.788834071364602,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0097,7.125791628343215,7.974587602868052,8.809809249541061,9.625387737196654,10.416216143281838,11.178125433715527,11.907922376463386,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_8,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1596129214104038,0.7801946577519668,1.8815176564437672,3.512460470757802,5.1067338877896296,6.150666644464356,6.692759745311997,6.944416187313212,7.038519815389422,2.9251732452471635,0.604966503118797,0.0103928557672779,8.746316084358325,4.24683149938761,5.030100454422545,1.216787113695468,1.4937560139779351,3.008431277900126,0.0284759327486934,1.7215634759674827,0.6113290523163811,8.038298724863544,1.2089966864910011,2.381803570280097,-0.0284759327486934,0.9811892245014536,0.5913958993922958,-8.038298724863544,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0097,7.277295827977957,8.139765452218821,8.986894402691536,9.811542276509645,10.608381202283589,11.37346294727037,12.104003262828638,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_9,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583268691663468,0.7951706996646927,1.9896815507237675,3.651783966535018,5.185195773038093,6.172438210769168,6.683298011279192,6.920301305016163,7.008915875554501,3.0695703876564937,0.6111048947072293,0.0100680162401585,8.751440228050283,4.846675365582692,4.788307645400977,1.322914975278242,1.8728393716676617,3.8293980148465794,0.0876140020381294,2.392569801252557,0.6403613675033005,10.572932138940478,1.1032767552393912,2.135935460140116,-0.0662985212475247,0.3490760369578435,0.579671030500328,-10.061360599965964,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0097,6.848512833195997,7.628845945064507,8.405599180254486,9.172203519998735,9.923149978361277,10.653779129795767,11.36025391634998,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_10,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0986479584378827,0.700731751852266,2.093142859913396,3.961754616742103,5.556747600541884,6.53849361023881,7.03619893149031,7.265068404679966,7.35033499971549,3.32620168318584,0.5063570826797577,0.0035168444608574,11.374543836881063,5.089475241367909,7.07240811677882,1.5574600189758805,0.5832753105927408,1.2035734350185898,0.0391056530372714,0.8961205348909123,0.1862344137688857,3.6984896137091328,0.1922187802200264,0.3430332049938524,-0.0391056530372714,-0.120626444078145,0.1588604566427957,-3.6984896137091328,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0097,7.664454291002037,8.487535047923116,9.296676563263732,10.08753483973238,10.855544496216828,11.59652072797886,12.307041786422271,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_11,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1008617332056777,0.7097799445138854,2.133070190315788,4.037287135162371,5.63055588047235,6.595724924321815,7.0808831907579,7.303104455612649,7.38575715781937,3.3935332932243405,0.5131249831874684,0.0036646104279547,11.562411333718671,5.358294982116761,7.124525010303382,1.6094183016035215,0.5313536429430259,1.066569338366045,0.006657743923552,0.5846155943314421,0.2239691012529865,2.7899230931861694,0.4647762037075058,0.9200622213014426,-0.006657743923552,0.4115142523190896,0.2193086805065001,-2.7899230931861694,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0097,7.123974311224733,7.9735560428923185,8.809404689777281,9.625495417754651,10.416746121705057,11.179003046834929,11.909083680613357,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_12,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1595452967525343,0.7799921813101348,1.879932209546264,3.506960963948693,5.09783758845191,6.140105964049622,6.681518473221089,6.932901004334533,7.026908970510004,2.921115948785076,0.6048152165533572,0.0103830366217475,8.726248643555376,4.230292363266027,5.0240034189599845,1.2143360053604015,1.4844710945587796,2.987651121210387,0.0262812133510686,1.694720801367329,0.6113123620454033,7.947979739815271,1.221658961048093,2.409319355189179,-0.0262812133510686,1.0114092542395436,0.5929155126996553,-7.947979739815271,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0097,7.291182696902762,8.151908171074366,8.997519791605798,9.820859613560229,10.616580096276648,11.380710838647522,12.11044469715354,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
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RSM0097_16,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1596057212997987,0.7801720101992371,1.8813041029570263,3.511494698645911,5.104923901877148,6.148343404559034,6.690189888545143,6.941736906429312,7.035800462049895,2.924511247794401,0.604949034561963,0.0103926824375661,8.742897972807784,4.24314325139159,5.029936082630724,1.2165156028281787,1.4915376772409812,3.0034845295523005,0.0279690429256262,1.715290020645991,0.6112923108866878,8.01706924471743,1.211847247984719,2.388011196071574,-0.0279690429256262,0.9880949045797096,0.5917139808387494,-8.01706924471743,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0097,7.288378717619156,8.149342482495872,8.995171093468631,9.81869294060005,10.614557586719542,11.378798060405853,12.108613482307744,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_17,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583187983468001,0.7952553942100732,1.9905195638368585,3.654149996839536,5.189081025359945,6.177282622103529,6.688625021512254,6.925848447394633,7.014544680407326,3.0713729569600043,0.6111370817383112,0.0100669290562184,8.76499059862332,4.852749664836983,4.794999192423165,1.3237544502113665,1.87357733709326,3.830981291677441,0.0877073171682725,2.3933557103510648,0.640403845725483,10.576392536566622,1.1034924972272249,2.13636955714056,-0.0663096508049343,0.3483397939726994,0.5796506536985923,-10.062848543846506,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0097,6.847867611893302,7.628426913212998,8.405373993204721,9.172152743651278,9.923258837594874,10.654033685047487,11.36063971586487,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_18,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0986685153403515,0.7007979898017261,2.0933025218669337,3.96248995369967,5.5584793520830384,6.541031217748898,7.039190515624844,7.268277762956405,7.353626853624114,3.326667275701524,0.5064144370482097,0.0035181810794425,11.379832242664111,5.0910425474719805,7.0754505640325895,1.5576543334841326,0.5847186738758311,1.2068951680121869,0.0395354853667021,0.901002556809448,0.1860707748121783,3.714303076713197,0.1893638202088099,0.3368962540655165,-0.0395354853667021,-0.1269200627248069,0.1583959350554869,-3.714303076713197,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0097,7.648248818741397,8.472599324103061,9.282868907293494,10.074732950489471,10.84364377744855,11.585431824783711,12.296688014258171,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_19,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1008694531885817,0.7097965916256166,2.132991192451052,4.037009794936364,5.6300695655828,6.595096646743506,7.080180665266065,7.302367483015733,7.385007318346119,3.39332934630845,0.5131445928427619,0.0036648480131425,11.560133661510006,5.357444804153946,7.123606299977105,1.6093923985343772,0.5312843776856878,1.0664165118562234,0.0066434983353917,0.5844323643688216,0.2239649886912715,2.7892918551362733,0.4648493943317704,0.920222876366794,-0.0066434983353917,0.4117014076486366,0.2193145398564973,-2.7892918551362733,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0097,7.121753115041699,7.971569793226436,8.8076449842903,9.623946177161828,10.415388195412588,11.177816607907657,11.908049477871014,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_20,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1595449654015009,0.7800307929838073,1.880630366845912,3.509246738659614,5.101364602169061,6.144224192434632,6.685880738827524,6.9373629658501486,7.031406077527297,2.922844713946332,0.6048300785328096,0.0103833291059521,8.736647755609596,4.236307416472634,5.027946662080095,1.21523401878505,1.4845722199937574,2.987863946766348,0.0262920241528189,1.6949084132163088,0.6113370926106865,7.948701583025165,1.2216519784655682,2.409294283431008,-0.0262920241528189,1.0113157852430168,0.5929326757037132,-7.948701583025165,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0097,7.280846660774823,8.14483974865596,8.992895130580614,9.818054852859994,10.615119086582396,11.380230162958114,12.110668167320922,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_21,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1582681902473053,0.7951967228955181,1.9904864285469284,3.653023382305318,5.186199495268433,6.173064821279698,6.683669886539053,6.920541960158349,7.009105392389482,3.0707580966691053,0.6110577988004727,0.0100617458800138,8.753970984661876,4.8507877354263575,4.787982191014644,1.3236977426457144,1.8736174018043208,3.831063794917274,0.0877283763024119,2.3944364968065424,0.6405207222578948,10.579630788818625,1.1028088831431868,2.134859567560478,-0.0664333274298149,0.3477442505423984,0.5797497103123843,-10.068549615876297,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0097,6.847373533264652,7.629472422732306,8.407745039387104,9.175621452854449,9.927604479187387,10.659054484724075,11.366158587982763,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_22,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166706333033124,0.8920551983694435,2.1154842801466214,3.8143521518381553,5.345755948684239,6.314506934229018,6.811624266647607,7.041429113619381,7.12722867573854,3.223162323400317,0.703011852276767,0.0234195727129718,10.345467316699438,5.018123550553204,6.244791601970464,1.6215683286232443,1.7046825359678388,3.717095147983599,0.3078161534574244,4.167211763627234,0.1814284407730172,14.679735748987683,-1.3734789986064058,-3.0565593732468246,-0.3078161534574244,-3.836008226265801,-0.0340428666471796,-14.679735748987683,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0097,9.120409235656366,9.970184332253062,10.782666437609,11.555712794640916,12.288126164873873,12.979473103517895,13.629966868151504,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_23,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2189146306061053,0.9019431930742708,2.129829414940882,3.864903791054109,5.479798602200015,6.519108418869014,7.056074077186444,7.304950844498271,7.397964034998727,3.253885190788546,0.7108179048743165,0.0235417333138591,10.934938164806267,5.115279696473392,6.686983658107763,1.6343789705607408,1.6064526208603926,3.433747692854193,0.2230035678036769,3.390481163289808,0.2967397266509804,12.492334460375504,-0.623583057176377,-1.473561778520977,-0.2230035678036769,-2.407611599605793,0.1406372291884066,-12.492334460375504,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0097,9.332594706809676,10.130572485188235,10.896430824767997,11.628474180713855,12.325482501164077,12.986736650619427,13.612021224469457,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_24,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166995451849259,0.8920795600177671,2.1151409232290463,3.8131837701398825,5.343624640698443,6.311651649717261,6.808363859789412,7.037974016126824,7.123699714057046,3.2223084310856485,0.7030528678001583,0.0234246769456213,10.33949133206212,5.0149875487224485,6.242344407506381,1.6211239923635652,1.7038960746848049,3.715400923230193,0.3076941898551439,4.165449593525957,0.1813071472563432,14.673364170526904,-1.3730458238666343,-3.0555697255109737,-0.3076941898551439,-3.8345993427077856,-0.0340787856422572,-14.673364170526904,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0097,9.11541460614449,9.964789374954169,10.777046527469896,11.550004412098945,12.282430802187449,12.973863550509762,13.62449349239567,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_25,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2189324391591357,0.9019943603325388,2.130007668712899,3.865548599368049,5.481145140211271,6.521018874500197,7.058305318979262,7.3073369746016175,7.400409018117221,3.254328742586777,0.7108605213720173,0.0235439402052284,10.940116702443037,5.116640858039249,6.6908361504219895,1.6346526229569354,1.6064232300302148,3.433584517704593,0.2229021531254156,3.38964045503354,0.2969168002532912,12.490159212659384,-0.6225983012239412,-1.4714932709398023,-0.2229021531254156,-2.405815526227266,0.1408852930655004,-12.490159212659384,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0097,9.336055508639644,10.133237770334834,10.89845230818412,11.629976154506188,12.326565851080792,12.987483048875015,13.612496793383809,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_26,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0629654363407597,0.3889089727734318,1.399247680710537,3.1918854657601794,4.9038771684897045,5.991102568444692,6.546615605545361,6.802605284713724,6.89803541180088,2.5455336155103483,0.2791104224879734,0.0037971569599278,9.107468138647294,3.030347672616715,5.518146666844828,0.5004625057291506,4.354308495926244,9.252702664729924,0.4727099992384014,4.861318851804134,0.656192562459638,17.18700498639017,0.011917688112851,0.0678803703383311,-0.0360873808344919,-4.861318851804134,-0.656192562459638,-0.6209033161610951,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0097,13.80943997997004,14.712297886931356,15.523202413963054,16.251681661415933,16.906501387457215,17.49559905089868,18.02610569557546,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
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RSM0097_28,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.063444261715761,0.3868403444136342,1.3075594553703072,2.9107243393828206,4.483085228526751,5.503098168204652,6.030090102315749,6.274183814685394,6.365374917475502,2.328476529718048,0.2797774022219276,0.0038457731398506,8.453345632095795,2.538355950690959,5.008117621280304,0.2761750165549642,3.2362371258389704,6.815902072363286,0.2903509637807455,3.0479245397514254,0.5927089481518669,12.665617214327938,0.1119232692723753,0.331415923080901,0.0444650757303889,-3.0479245397514254,-0.5927089481518669,4.059611132565458,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0097,13.898169352347216,14.772733026509917,15.558591753605231,16.265414043250992,16.901887364827857,17.475734251737677,17.993793745505233,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_29,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0737959573451189,0.355445837938334,1.1012484843545427,2.534873276902517,4.039938703923625,5.047358279360195,5.575003157151041,5.820840087451072,5.912902879200005,1.998552805937538,0.2687906638325603,0.0056019427291228,7.398547222522099,1.7708621042373958,4.629007401416186,0.1293293877791237,2.4326148289796707,5.1108088052109135,0.198602440345973,1.8242350035418604,0.4450053018971124,9.086995057410522,0.496984301961122,1.1430064596083949,0.0943574727481062,-1.8242350035418604,-0.4450053018971124,5.438421191485186,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0097,16.228420577067883,16.805024544804628,17.31949660230289,17.783660379499494,18.20596628880816,18.59257478697436,18.9480828181766,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
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RSM0097_31,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0762886174046865,0.3504342965424909,1.0864547413561445,2.556525901738873,4.116390839920684,5.16400728561385,5.713347422342294,5.969401539822482,6.065305689980084,2.003499329494262,0.2676002855882539,0.0060154662789034,7.383108999295173,1.739201310443417,4.751729722506233,0.1276778136738397,0.9036661748841588,1.832957818962284,0.0218961047966241,0.7503934413077897,0.3214443016478908,4.058512673691687,-0.4657440789516753,-0.898125520775212,0.0218961047966241,-0.7503934413077897,-0.3214443016478908,4.058512673691687,20.0,42.694,2.0,0.0,0.0,58.0,-2.0,-3.9887,0.0,-6.0,-1.53,0.0,RSM0097,16.422847581353185,16.981667745512098,17.481492550600446,17.933207572175533,18.344791203020826,18.722102802250653,19.069503821024444,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_32,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0633112266678769,0.3868328238686926,1.3082521618643046,2.912224442449036,4.484910542947226,5.504961627562615,6.031931790558665,6.276006999517317,6.367189899073932,2.3297488260609787,0.2796921560931277,0.003826115094929,8.463863864304514,2.541240264739637,5.013338244304911,0.2766857864397175,3.23502716715854,6.812604827647492,0.2893715081350341,3.033818466746153,0.5933963659295802,12.652482764102974,0.1198805201650064,0.3491166124820806,0.0461192605973204,-3.033818466746153,-0.5933963659295802,4.138654100282998,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0097,13.824860740559249,14.70626422382012,15.498401711327393,16.210939422808476,16.85257717372264,17.431063591194373,17.95327354795326,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_33,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0738558292551734,0.3555105406684997,1.1014935243785655,2.535360410370694,4.039688083325377,5.046059056512406,5.572993600220723,5.818464034175825,5.910383937478977,1.9990477343323272,0.268866258191516,0.0056111738943161,7.403897176871491,1.7740239865842662,4.63132195615928,0.129675093580783,2.445501905963556,5.1380491615378165,0.1999978954947306,1.8442472456022208,0.4476362632999815,9.145776575770928,0.4894818597953506,1.12726068322772,0.09350048108116,-1.8442472456022208,-0.4476362632999815,5.418367071295957,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0097,16.093293331280936,16.687908585773844,17.217115317839784,17.693454646943586,18.12591931787044,18.52108169052224,18.88385402372516,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_34,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0629242429480135,0.3888893544364819,1.3995750518646064,3.1926727242704844,4.904937647896895,5.992269628385986,6.547818900136367,6.803821300156303,6.899255539113627,2.5461790270412763,0.2790644050417809,0.0037917297921612,9.1069587624405,3.02970158138191,5.51925993059428,0.5015828249362738,4.360222221678229,9.265282632241837,0.4733635626682339,4.867946945287047,0.6570540327969354,17.21025381955927,0.0120228153045082,0.0681488482052119,-0.0361390589699602,-4.867946945287047,-0.6570540327969354,-0.6223379377775262,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0097,13.80933262298365,14.710766389069184,15.520915377310883,16.249049593879175,16.903770667718025,17.49291284493071,18.0235429251905,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_35,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0763778661027232,0.3503509480648546,1.0842460143576331,2.551116527641464,4.108582963379544,5.154795141022283,5.703427626793623,5.959155719206728,6.054938208115518,1.9991257297145493,0.2676517248945677,0.0060296385047281,7.376321423093282,1.7344763502857572,4.7461949752978345,0.1257750598499441,0.9041802423669016,1.834399465743053,0.022192803262289,0.748830619530878,0.320579727831736,4.054852343326437,-0.4603241771211202,-0.8868999232628834,0.022192803262289,-0.748830619530878,-0.320579727831736,4.054852343326437,20.0,42.694,2.0,0.0,0.0,58.0,-2.0,-3.9887,0.0,-6.0,-1.53,0.0,RSM0097,16.456766609999836,17.00981893863554,17.505067388706852,17.953091415365915,18.361659613275776,18.73648281538621,19.081814076697903,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_36,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0634006303985827,0.3867064994533757,1.3073702630876884,2.910823211896386,4.483692777318301,5.504089029250961,6.031287275794782,6.275477727376306,6.366705115764559,2.328432439323772,0.2796659177892436,0.0038406953084919,8.460971808710502,2.539272359431557,5.012466545281864,0.2757769783493617,3.2348342423520484,6.812650518887904,0.2899995464877134,3.047390875114478,0.5931876929927259,12.66375557696525,0.1084187431669898,0.324191629299586,0.0443257520641903,-3.047390875114478,-0.5931876929927259,4.065172772141945,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0097,13.866444007297934,14.741488478973192,15.528277249029768,16.236304306656123,16.874135077323125,17.449408084432275,17.96890565510338,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_37,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0738212444812934,0.3556346157859291,1.1028876613685574,2.5395020415351737,4.04672428158482,5.055119376623366,5.583153668817082,5.829146647086845,5.921263942925717,2.0021681152933937,0.2689022256935213,0.0056054920825132,7.416518160509067,1.779291724477832,4.637548515377362,0.1305342684516032,2.432091372998091,5.109946327555759,0.1987509322483709,1.8237566274510808,0.444356037125355,9.082777780042884,0.4990315650472125,1.147121808289548,0.0943613615561593,-1.8237566274510808,-0.444356037125355,5.42914280581548,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0097,16.233323065017238,16.80966286759243,17.32401437896721,17.78813427677638,18.21043194241964,18.597042818854828,18.95254918791994,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
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RSM0097_39,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0763213233022438,0.3504598411069152,1.086454380306248,2.5569148103455084,4.1172359704920005,5.165130327433648,5.714606738652212,5.970722330612694,6.0666491875998005,2.003722903632364,0.2676407309353686,0.0060206318564345,7.388904494494472,1.7408427499641677,4.754394026092209,0.1274523557701325,0.9029497486177412,1.8315321915320628,0.0218983686328968,0.7496611681874635,0.3211171497226701,4.054883001797873,-0.464982375959805,-0.8966032411191666,0.0218983686328968,-0.7496611681874635,-0.3211171497226701,4.054883001797873,20.0,42.694,2.0,0.0,0.0,58.0,-2.0,-3.9887,0.0,-6.0,-1.53,0.0,RSM0097,16.116832145225857,16.716894423433803,17.249948600782187,17.728840570174246,18.1629491128532,18.55915409168713,18.922573334628908,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_40,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0633422545345007,0.3868286805541621,1.3082058902469746,2.912265891094698,4.484997157653373,5.505056681583789,6.03202818279279,6.276103717584434,6.367286719062446,2.3297598186556323,0.2797065445530331,0.0038308749885721,8.462322632135306,2.54072710452552,5.012618480263888,0.2767486562718896,3.2334273028036407,6.809344650018361,0.28935923531674,3.034409129121006,0.5929836087452683,12.647687635315023,0.1184287721517656,0.3458625131889455,0.0458263721788005,-3.034409129121006,-0.5929836087452683,4.124037425487146,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0097,13.848854276799852,14.728216425125623,15.518568477968236,16.22950064383209,16.869677239706654,17.4468289829046,17.96781981463994,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM0097_41,RSM0097.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0738527988213168,0.3555639519241956,1.1013779659847598,2.5345905123594217,4.038676728080449,5.045160060180752,5.572231709820633,5.817783039741684,5.909735918633765,1.9984875687111745,0.2688984093850037,0.0056104820021785,7.400424685812115,1.7724949521617273,4.629272306900435,0.1292584867180506,2.4437823966988863,5.134353567008805,0.1997697483953073,1.841953705319526,0.4474498290790903,9.138930633535884,0.4895331746902054,1.1273951832354878,0.0935618087436017,-1.841953705319526,-0.4474498290790903,5.421652745726189,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0097,16.293806674227532,16.860924010936333,17.367732590485964,17.8256219488725,18.24273115024068,18.62499265136128,18.97683304850539,"[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]lvt,the.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology lvt,the"
RSM1544_0,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0023021499585114,0.1628092109815263,1.228249305908136,3.5642299867509286,6.024590587459538,7.656110868070032,8.504977676049382,8.899131269284718,9.046517046950704,2.6844622521738835,0.0842435427457417,1.0908163725240386e-06,11.828715771175728,3.7287476571470455,7.2443977065637855,0.4042603429617384,19.073495839971752,41.9975257974652,2.012249306661959,7.0,1.199710582403955,61.48997226647835,-19.073495839971752,-41.9975257974652,-2.012249306661959,6.828509706732581,1.199710582403955,-61.48997226647835,-19.0,-41.8383,-2.0,7.0,1.21,-61.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM1544,22.17870943917876,22.437154861703608,22.63777997272186,22.796566914436028,22.92436430930169,23.028731743656863,23.115061496682223,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_1,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0027805695443984,0.179027189689375,1.304738488539245,3.739607647442345,6.300842116494871,8.00486940281909,8.89392879319548,9.307368275696708,9.462069828093954,2.8242965133459124,0.0939250875198243,1.539365221346189e-06,12.875635745481718,4.139088678241834,7.845783046267967,0.4646514162584187,19.02730839833168,41.89746255264963,2.004551399721945,7.0,1.2061768242335662,61.18205598887781,-19.02730839833168,-41.89746255264963,-2.004551399721945,6.9362804038927655,1.2061768242335662,-61.18205598887781,-19.0,-41.8383,-2.0,7.0,1.21,-61.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM1544,22.05067860498256,22.327671405028973,22.543190675220647,22.71408337202616,22.851835709938328,22.964479367032027,23.05775931529098,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_2,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1433657717872998,0.4802531930155574,1.268325178800256,2.792865131008047,4.463022239405963,5.617977002248073,6.233205433533737,6.522070072684487,6.63059484744836,2.215439325221344,0.3842051966284643,0.0209007400816572,8.058846300698574,1.9463444587667689,5.549483870872074,0.325571374190134,3.2540112391328435,7.09178698011071,0.5808948525201355,7.841285989259743,0.3666302904354101,24.415396459805912,3.2540112391328435,7.09178698011071,0.5808948525201355,7.841285989259743,0.3655751901538554,24.415396459805912,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1544,3.547099525803169,4.226189455428212,4.927393323162364,5.631269517854481,6.323338916653438,6.993617723102236,7.635846487895503,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_3,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1436449132486741,0.4754688830298961,1.182900039468418,2.471767653146789,3.869208388766381,4.8360947629429765,5.351742704787822,5.594011334746518,5.685056995233675,1.9871312902607288,0.3826415074307326,0.0209826472452394,6.800059588748155,1.456586834787874,4.781980046212659,0.1781678448547083,3.455073367887542,7.516877603574696,0.6048874208921218,8.251549680122128,0.4170595890972653,25.08298997725935,3.455073367887542,7.516877603574696,0.6048874208921218,8.251549680122128,0.4163086114632708,25.08298997725935,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1544,3.6009358963749505,4.275789242732354,4.972110340771997,5.670922022590746,6.358039408688231,7.023638973254484,7.6615287874285745,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_4,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1436487169187232,0.4813609740872467,1.2557525164649903,2.735290216147291,4.367958737379976,5.503320108345799,6.109575212850558,6.394504763895343,6.501592094296625,2.1740813767299008,0.3851320732768676,0.0209763949743569,7.877570834379309,1.8328748207407684,5.479439378601636,0.303535677672604,3.1659242550332536,6.901515878650132,0.5692804696028197,7.718060516304333,0.355533902962819,24.020814452479296,3.1659242550332536,6.901515878650132,0.5692804696028197,7.718060516304333,0.3554967708983406,24.020814452479296,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1544,3.588675263472888,4.267900038189472,4.968637678618076,5.671617759094496,6.362480696668516,7.031321150302865,7.671929319953482,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_5,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1433086190940393,0.4778013758702022,1.2037664993090262,2.515074800412828,3.92108826491517,4.887672552128215,5.401566021230885,5.642675995496642,5.733234228161274,2.024064076439692,0.3834469347837614,0.0208846789710548,6.943373185275609,1.533447700927464,4.876143379061969,0.213768145118209,3.478401643297191,7.569253015438459,0.6099096789874227,8.29987199800411,0.4159263962293231,25.323691056326,3.478401643297191,7.569253015438459,0.6099096789874227,8.29987199800411,0.4149078905835511,25.323691056326,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1544,3.567546862985744,4.244949770140149,4.944505035827564,5.646894227958747,6.3376767391191615,7.006863527433337,7.648171466611421,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_6,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410362345827512,0.576812753423385,1.6728990099513776,3.4466630337758,5.185584468749405,6.33326449849667,6.932983598463873,7.21231355065307,7.316917357722148,2.807586846698246,0.4399521603260614,0.0188819299367394,12.505202563320497,3.3241472495016287,7.711830657941353,0.3782487945477114,1.862995219552356,4.052521766202282,0.3265510070552028,4.475403275993978,0.2271105427647282,13.54359439610242,1.862995219552356,4.052521766202282,0.3265510070552028,4.475403275993978,0.2271105427647282,13.54359439610242,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.113460067239936,3.5891049530065327,4.0992289578389,4.635140872015144,5.187450968867903,5.747348452442044,6.307315097189654,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_7,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404196598372686,0.5772678862276903,1.7384406593624462,3.6784887523391903,5.533581598958572,6.727083921509607,7.342309267855646,7.62708222134797,7.733448144828295,2.9823315105427834,0.4391573542269363,0.018712450926821,13.701145476842866,3.7118361731452016,8.546572397109403,0.5653078999881024,2.8714897703877003,6.241624196017956,0.498778417540877,6.861717110714716,0.3595953106541311,20.55704037592289,2.8714897703877003,6.241624196017956,0.498778417540877,6.861717110714716,0.3595953106541311,20.55704037592289,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,2.901604914212414,3.348557653853504,3.8332977396836254,4.348229294323452,4.884388704838543,5.4329163106138685,5.985947882156014,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_8,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402301742342287,0.5689799329266948,1.6274204234802037,3.278331573545041,4.825418485209638,5.8206660969526105,6.334700341216171,6.572914186280601,6.661936973516826,2.6935368522169942,0.4356384445974612,0.0185392471757977,13.238756666694815,3.1871230282434984,8.020942566501166,0.1421694719871142,1.775440566792801,3.8708502588414144,0.3197924122208374,4.3337798645595,0.1984018120647138,13.508266021494608,1.775440566792801,3.8708502588414144,0.3197924122208374,4.3337798645595,0.1984018120647138,13.508266021494608,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.418488037885901,3.916543151660479,4.449753191482559,5.006362926640523,5.575363397164944,6.147337236047366,6.714803411078102,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_9,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410256274988796,0.5719927085092035,1.7162563839433906,3.671390204107879,5.563868408538066,6.787524728811201,7.419466947509888,7.712183216726006,7.821545164039541,2.9659063074133627,0.43708227141176,0.0187572447222023,15.333897042836892,4.063115595744262,9.135641537655312,0.2688980659968276,3.612672013136944,7.862437700193116,0.6370452129255885,8.709033716541652,0.4324143392933663,26.52980483910648,3.612672013136944,7.862437700193116,0.6370452129255885,8.709033716541652,0.4324143392933663,26.52980483910648,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.361255535064394,3.829638827904207,4.333219328373515,4.862630165493199,5.408156468944181,5.960879801488915,6.513300462773278,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_10,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410516683234985,0.5756921610659892,1.7920710603563224,4.038635227795026,6.2926947790648455,7.76476881901188,8.526822402202153,8.88001762158796,9.011997051925976,3.213113954416782,0.4389483413652117,0.018768656927674,16.23230412707987,4.591212645266466,9.814638974179632,0.5246313651810602,3.367400433793469,7.322259255525776,0.5875552325804787,8.0678422944373,0.4161602241397946,24.29186411166616,3.367400433793469,7.322259255525776,0.5875552325804787,8.0678422944373,0.4161602241397946,24.29186411166616,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.092751501929423,3.536194538159627,4.017048625281771,4.527261708920407,5.0578092112825015,5.599956448496078,6.146030350120129,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_11,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411829985218217,0.5662721688742627,1.5983252179690917,3.328024888718764,5.071737449965555,6.235525889678953,6.846236305495676,7.131160072334571,7.237928225530611,2.6969427757878366,0.4356264364240034,0.0188214019574131,12.974772961098486,3.157457586033227,7.914611134399625,0.1645686809982992,2.154824236946458,4.686766567151111,0.3771533792932652,5.172051271292579,0.2638417795879074,15.626615365796273,2.154824236946458,4.686766567151111,0.3771533792932652,5.172051271292579,0.2638417795879074,15.626615365796273,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.267085541394517,3.732207404823296,4.234079585765513,4.763163617532616,5.3095291919328425,5.864036422464641,6.418977022003027,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_12,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405933958636295,0.5766762025395087,1.7264072111816815,3.644858569423041,5.483616104185155,6.668991303637337,7.280697583520916,7.563987521832546,7.669822553809157,2.9560260617111056,0.4391776716976783,0.0187357373048068,13.555350774861251,3.636126369790986,8.45078875206029,0.5278973028560882,2.820374181707149,6.130833845027564,0.4902098032188322,6.742052607457806,0.3525427622769554,20.212815316782507,2.820374181707149,6.130833845027564,0.4902098032188322,6.742052607457806,0.3525427622769554,20.212815316782507,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,2.93537086455576,3.383663395724056,3.869003091101144,4.383928220961226,4.91960808816296,5.46730179024467,6.019244791691031,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_13,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412051012020315,0.5768773976766955,1.668891942077794,3.4413400460903154,5.187946064672684,6.34442881953521,6.949670611917512,7.231761097485851,7.337427526984578,2.801588464006852,0.4402618832735056,0.0189037657506986,12.551581669124486,3.33462909666043,7.706458787920196,0.3549813098871855,1.8203580228370329,3.960088681633018,0.3193848684445033,4.37543697039306,0.221267207456689,13.25515067693007,1.8203580228370329,3.960088681633018,0.3193848684445033,4.37543697039306,0.221267207456689,13.25515067693007,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.1243669490513337,3.599395954746984,4.108702628371821,4.643673105138704,5.194985667572791,5.753882180398223,6.312881059009673,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_14,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402157968044288,0.5693057410446449,1.6306982218192272,3.2862256230366254,4.833285379780644,5.826128101615412,6.338275198760201,6.575478856741185,6.6641031006708085,2.700227269560964,0.4358011586110597,0.0185286953136969,13.320037182060217,3.214042062206613,8.063773390287723,0.1434010727324989,1.8585305148993905,4.049823592905256,0.3326261147933743,4.519539433246385,0.212165111234615,13.991175461039251,1.8585305148993905,4.049823592905256,0.3326261147933743,4.519539433246385,0.212165111234615,13.991175461039251,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.4295549970597,3.927559296452399,4.460746222412602,5.017313953706955,5.586226232040183,6.158052212391504,6.725306542405446,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_15,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411554275657951,0.5732461974808251,1.7330107442536953,3.7353212275153487,5.681223149028824,6.940984617509357,7.59186262085481,7.893403911711707,8.006071020485656,3.01131986160034,0.4377377726823861,0.0187851497106277,15.595028119816003,4.174496163121104,9.295248434521728,0.2969639384528254,3.65625808337078,7.957289032933511,0.644723980724152,8.814049929163996,0.4376461013309633,26.84938823383673,3.65625808337078,7.957289032933511,0.644723980724152,8.814049929163996,0.4376461013309633,26.84938823383673,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.368630585308833,3.836429920032913,4.339613433497226,4.868736516246531,5.41402222672416,5.966504091953719,6.51864677210817,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_16,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414085034106305,0.5670513458014295,1.6045347631402294,3.335152682021905,5.0644355997876565,6.212650210795184,6.813792841460287,7.093975114395383,7.198924383273647,2.705726381660789,0.4361163105165843,0.0188846161516337,13.062888004325556,3.1986320143202267,7.956531753284464,0.1665931897029463,2.126714159647473,4.625374763526352,0.3719868794927415,5.102609195589404,0.2609174912925044,15.405510766254542,2.126714159647473,4.625374763526352,0.3719868794927415,5.102609195589404,0.2609174912925044,15.405510766254542,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.24597339216466,3.712119981341389,4.214864765827301,4.74466019793942,5.291584231724277,5.846508862831996,6.401735642993465,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_17,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141047289402948,0.5745733343702558,1.7891283247960297,4.037914092216407,6.2968248749054405,7.7729282721992625,8.537305143453967,8.891630761250214,9.024041252939917,3.2111420218649056,0.438266431466631,0.018780841754402,16.241718765125206,4.593553275252499,9.81445105281571,0.5231381854472403,3.396966452289833,7.38734664815262,0.5934936929310033,8.14491599573786,0.418176806466911,24.559726243721062,3.396966452289833,7.38734664815262,0.5934936929310033,8.14491599573786,0.418176806466911,24.559726243721062,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.0734484303100698,3.5191075757087544,4.00223535359486,4.514635870735433,5.0471966878928605,5.591135828475223,6.138760778534154,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_18,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434658058577914,0.4797171983605571,1.2492850724059614,2.7325418242531216,4.371111366906939,5.509597473928169,6.117191914765917,6.40268082468985,6.509967596466788,2.169233459423909,0.3842524050393096,0.0209216327344795,7.857660759860887,1.8364002632376968,5.445960598157619,0.2903063869601339,3.154341389218416,6.875780278465361,0.5665956678095129,7.682084109548048,0.3551090870890154,23.891903180439144,3.154341389218416,6.875780278465361,0.5665956678095129,7.682084109548048,0.3550205932702442,23.891903180439144,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1544,3.531299841976675,4.203984968818936,4.9007733729597085,5.601920716326539,6.292577928999375,6.962412787142903,7.604874812691238,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_19,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1433411465298804,0.4768502327683644,1.178077482269809,2.42855113165212,3.782179706218393,4.720194875029791,5.220891458863064,5.456228640639804,5.544683709576487,1.9593373535423395,0.3832766424842244,0.0208874678627087,6.544321522652365,1.371346433959168,4.646721095299484,0.1846202499856276,3.3612521175203884,7.313297530853362,0.5898981965984038,8.059895390707535,0.4054981334957594,24.49443881222922,3.3612521175203884,7.313297530853362,0.5898981965984038,8.059895390707535,0.4051361977409007,24.49443881222922,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1544,3.5925729899748258,4.2718764739918464,4.972915653239576,5.676357162625076,6.367779469024058,7.037232731617785,7.67848314397038,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_20,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.143444192760951,0.4800510750619721,1.255075173120463,2.749137015162207,4.398864846219519,5.545377990647274,6.157408613384598,6.445020940963717,6.553112192171965,2.181915188076123,0.3843064322604207,0.0209200684947395,7.899184961171949,1.856554258877068,5.472685130718362,0.3043483926580785,3.179126228898332,6.929092257135999,0.5697895531120456,7.719500296540123,0.3588300203039219,23.996472757067565,3.179126228898332,6.929092257135999,0.5697895531120456,7.719500296540123,0.3585138930570556,23.996472757067565,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1544,3.568768045739424,4.246964684432065,4.9471806260973485,5.650029536133642,6.341065840389949,7.010326162263223,7.6515637297767904,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_21,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1435303785290693,0.4759914994558399,1.186172048873986,2.4669512806374247,3.845818434694674,4.797349307605414,5.3043599320186345,5.542495017304304,5.631976778302724,1.9868901335428508,0.3827678069540183,0.0209519917611027,6.74819630593784,1.4535838572357422,4.751448341848608,0.1872405746669326,3.472151514473594,7.554506355587231,0.606869177311598,8.250457418411134,0.4167457999467941,25.149283892607787,3.472151514473594,7.554506355587231,0.606869177311598,8.250457418411134,0.4153953437379636,25.149283892607787,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1544,3.5903120758639284,4.268364727915337,4.967585065038894,5.668923520081576,6.358176218211803,7.025535683029246,7.664845448966434,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_22,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140911920826104,0.5766214222971354,1.6712997360249466,3.4485895544904093,5.198824972257339,6.357620196188257,6.964152122173199,7.246872668536572,7.352780433852033,2.807259730686394,0.4398819550967644,0.0188313429241696,12.552023665421457,3.344791727334872,7.702831639087388,0.3605576056002443,1.877292172638644,4.083358413019807,0.3287997540313215,4.507690204889215,0.22939368112716,13.629521918999291,1.877292172638644,4.083358413019807,0.3287997540313215,4.507690204889215,0.22939368112716,13.629521918999291,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.120517821963139,3.5934420098478888,4.101005714009235,4.634613012139894,5.184932916038895,5.743182503699948,6.301848025236318,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_23,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409769001435539,0.5758849556070446,1.7242819104396028,3.646265453396688,5.485922360131088,6.669580832228002,7.279674830902592,7.562053363037148,7.667521474867714,2.9561964583431792,0.4389399022645204,0.0188540189245637,13.58961045339452,3.635183704286244,8.466305095912885,0.5161876014709665,2.884014448398525,6.269407404059225,0.5015004155967858,6.8960177731728125,0.3600162069620271,20.684956849782377,2.884014448398525,6.269407404059225,0.5015004155967858,6.8960177731728125,0.3600162069620271,20.684956849782377,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,2.969371878501999,3.4201925619960103,3.90769078953188,4.424293057687907,4.961115278806299,5.509409946434864,6.061438460748922,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_24,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402735923816439,0.5693568208101453,1.6310734396199518,3.291576357608669,4.847214720377229,5.84674715686905,6.362590534630316,6.601552193853391,6.690840071768562,2.7031963782172466,0.4358698715060986,0.01854303349256,13.334889537985353,3.220730484079509,8.06843040131106,0.1439159333037767,1.8608596691661303,4.056074263902555,0.3341921508926414,4.5343968763072615,0.2100177210168567,14.089152216654249,1.8608596691661303,4.056074263902555,0.3341921508926414,4.5343968763072615,0.2100177210168567,14.089152216654249,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.435374950373655,3.933945332407642,4.467130198241704,5.023333196700349,5.5916716187648845,6.162820767071435,6.729363887206487,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_25,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411472374818166,0.5733211763185894,1.736682129302363,3.7494970352615207,5.709262883021717,6.979890308160987,7.636919238430591,7.941426669472399,8.05522037472371,3.0212684803111456,0.4377254723868006,0.0187811557660202,15.6630458265641,4.209140495763129,9.323412183384953,0.3013447660897957,3.6221106312581473,7.882717437611416,0.6384534178303348,8.729737973900825,0.4340820318727887,26.581186091832706,3.6221106312581473,7.882717437611416,0.6384534178303348,8.729737973900825,0.4340820318727887,26.581186091832706,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.367534580696217,3.836864526151642,4.341040059832585,4.87074489198001,5.416313112363979,5.968866813773752,6.520937606690378,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_26,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410096606912737,0.5738160131662005,1.7784664857191017,4.011171473250393,6.261735941054479,7.735760303962499,8.499940174017054,8.854360291358638,8.98683508385147,3.1893347824917866,0.4379983885935718,0.0187669717518602,16.102050654366877,4.511337222805302,9.75269429651676,0.5134044313852635,3.3619541818098213,7.310751377620981,0.5869322526580798,8.057412203074461,0.4147998185048444,24.27548677701649,3.3619541818098213,7.310751377620981,0.5869322526580798,8.057412203074461,0.4147998185048444,24.27548677701649,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.068561136055336,3.51145849108008,3.991850043141144,4.501724818498185,5.032080350731657,5.57418583630872,6.120358176248984,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_27,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413114215647136,0.5668830063301382,1.59361220095542,3.290615743644859,4.9928687190870695,6.128970623864251,6.725492538703706,7.0038956125355885,7.108237339193349,2.6733695041411845,0.4360701676540137,0.0188536465409482,12.843960637576409,3.114179489836222,7.834135813242211,0.15465188824261,2.1417827181026614,4.658161511645086,0.3746364800267643,5.138874558316776,0.2627369238140988,15.515640011360205,2.1417827181026614,4.658161511645086,0.3746364800267643,5.138874558316776,0.2627369238140988,15.515640011360205,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.248918425819697,3.714989291423096,4.217571205914488,4.747182207239545,5.293938382293471,5.848731723599903,6.4038725927990745,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_28,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404921271763711,0.57789645134812,1.7419983453990957,3.687782968960528,5.546444632903349,6.740925322713936,7.356238628900114,7.640956741607408,7.747286749016413,2.989721125922838,0.4395900527737172,0.0187151514290577,13.742678218337652,3.733793042764187,8.56556979385647,0.5692668879761658,2.8849553502227394,6.271546258927624,0.5017554263786568,6.8989987612519945,0.3599417262139631,20.69810309539227,2.8849553502227394,6.271546258927624,0.5017554263786568,6.8989987612519945,0.3599417262139631,20.69810309539227,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,2.9182515250756973,3.3659342160563948,3.8509840838856655,4.365881719056679,4.901743859969727,5.449783909073089,6.002198857285418,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_29,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411699585260703,0.5762008842206666,1.6633825877251145,3.4185178134888217,5.141615382718808,6.280653652691871,6.876371291262654,7.153948006543709,7.257912553262113,2.786044087704302,0.4398551944872705,0.0189037979029965,12.400246712379358,3.26057861678102,7.655795243247585,0.3576526122054251,1.8863703135677936,4.102842403944959,0.3301334213927446,4.52743768470975,0.2310412687234553,13.67748792965315,1.8863703135677936,4.102842403944959,0.3301334213927446,4.52743768470975,0.2310412687234553,13.67748792965315,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.116851290664645,3.592301990887812,4.102230247694605,4.637948076246285,5.190068656591366,5.749783080162104,6.309574043533014,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_30,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401875511745918,0.5689797186299614,1.629273258991907,3.279771027532505,4.822526580215292,5.813879691235012,6.32570038680327,6.5628540837649085,6.651475875554396,2.695742843333305,0.4355489153163119,0.0185337260257704,13.259046534598552,3.195395610055184,8.031920073545322,0.1433072020598449,1.8158784524917624,3.959394230761981,0.3274481203688284,4.43546341544239,0.2021393889464239,13.841976163359176,1.8158784524917624,3.959394230761981,0.3274481203688284,4.43546341544239,0.2021393889464239,13.841976163359176,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.413267069877746,3.9106871496232936,4.443441259086657,4.999755084743836,5.568595097830504,6.1405187329080455,6.708021635389815,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_31,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409420844852222,0.5712645131498088,1.7126842524956605,3.6688813533114457,5.568347635236716,6.798755398154087,7.434745348764594,7.729453719426183,7.839578145139155,2.9621529731131866,0.4366502566261157,0.0187415190423592,15.345352883597482,4.045560974081624,9.155773363454696,0.2661638791727697,3.591761739588193,7.816565140588054,0.633001592133071,8.655774476652761,0.4306599089187655,26.351302751374007,3.591761739588193,7.816565140588054,0.633001592133071,8.655774476652761,0.4306599089187655,26.351302751374007,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.370531481342343,3.838883001414251,4.342378538909618,4.871646201213096,5.416974114374869,5.969450839509974,6.521585050260529,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_32,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414415061868528,0.5668358407535921,1.6025181642454975,3.338781806285472,5.086990792292488,6.253077840466794,6.86486691885283,7.150273038443325,7.257219099828957,2.70557729837024,0.4360278461404935,0.018896379443962,13.047671776445474,3.186884281156982,7.948746606538021,0.1663608177823306,2.174720695835802,4.730133765067665,0.3807259339233079,5.220528167222266,0.2660886797205966,15.777211895452544,2.174720695835802,4.730133765067665,0.3807259339233079,5.220528167222266,0.2660886797205966,15.777211895452544,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.2529391285407647,3.719532004246617,4.222750120904217,4.753026443736457,5.300415712165684,5.855772193382211,6.411387769021353,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_33,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141078410197241,0.574607176123908,1.7859802025514326,4.025674590489788,6.27505520212725,7.7449272041070305,8.506075031787203,8.858902297351154,8.990752518576503,3.202355263485204,0.4383562443659782,0.0187877951785247,16.174774896075675,4.559153767844209,9.783475474431327,0.5166506727324357,3.3978278897730383,7.388465539719749,0.5929065193523048,8.141080044591476,0.4198319753489486,24.514316905796143,3.3978278897730383,7.388465539719749,0.5929065193523048,8.141080044591476,0.4198319753489486,24.514316905796143,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.080852996262698,3.526717313483542,4.00989755725405,4.522242871826352,5.0546708694801294,5.598419879553848,6.14581146831876,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_34,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1435330440317641,0.4810313917897089,1.257945202992362,2.744878096147532,4.382693106409475,5.520138299932187,6.12715204439592,6.412369262391907,6.519554431394629,2.1811274674423013,0.384844167965925,0.0209444661853467,7.89555767062739,1.859468119578411,5.473077132566961,0.3062211001634304,3.1543668235543936,6.87538297973531,0.5658887539002916,7.670275132119278,0.3557851314863511,23.844645978157946,3.1543668235543936,6.87538297973531,0.5658887539002916,7.670275132119278,0.3555877678017866,23.844645978157946,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1544,3.5563812030823096,4.235099929924162,4.935965033266537,5.639543734000307,6.331349808000367,7.001387686270857,7.64338687382304,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_35,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1433664928487238,0.4772441204253592,1.1963690449641935,2.492641467943705,3.884816023656169,4.843246472737709,5.35318732169851,5.592525606455802,5.682431444720657,2.007079188819888,0.3832589453121878,0.02090147211282,6.856926622307369,1.49435396489895,4.825861428754939,0.2034239816592763,3.461078875186839,7.5310655838027,0.606569531233259,8.260210967604223,0.4150348523335245,25.174824870374387,3.461078875186839,7.5310655838027,0.606569531233259,8.260210967604223,0.4140935695594286,25.174824870374387,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1544,3.573707372980653,4.253382912188533,4.954702138786712,5.658360217077616,6.349966789025629,7.019589645094624,7.660996739765682,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_36,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.143429667385782,0.4815742578567284,1.2661632285186064,2.777642244667539,4.44618261072421,5.606105464933208,6.225429822395865,6.516502208750406,6.625899144541025,2.2039712930478124,0.385049248082262,0.0209093553401651,8.047315418514204,1.9161748959306288,5.569172379143405,0.3178473773847638,3.2071640492341253,6.99111910559756,0.5761371103193523,7.8079527094229455,0.3605186457683126,24.29694251327585,3.2071640492341253,6.99111910559756,0.5761371103193523,7.8079527094229455,0.3603722628028164,24.29694251327585,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1544,3.5031626631814348,4.174466424094927,4.8705297170223245,5.571519137267593,6.262472523338533,6.932946499134873,7.576293071488826,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_37,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1433822518291129,0.4760376593457558,1.175274780353153,2.429012276050024,3.787637706919207,4.72915523092181,5.231728980377639,5.467952445494386,5.5567414823165295,1.9582057983752288,0.3829007383358537,0.0208998625346639,6.586872245255216,1.3802926910359494,4.660490106509944,0.1766285518180142,3.3561275253691742,7.301978475908952,0.588825594869644,8.046040638303475,0.4052197052330356,24.44503654584744,3.3561275253691742,7.301978475908952,0.588825594869644,8.046040638303475,0.4048551381364425,24.44503654584744,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1544,3.532177854079662,4.205216831338297,4.90225014588963,5.603576715342406,6.294372034960169,6.964316513918984,7.606865593777294,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_38,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410320674956107,0.5767089660995689,1.668913037771152,3.435709087516357,5.171322474147642,6.318613536563253,6.918584546776123,7.198124399588899,7.302820941536102,2.7987928470357213,0.4400180037533722,0.0188629364346724,12.525054623216535,3.325374686862105,7.693984819657827,0.3557670702318932,1.82381667833654,3.967479483797941,0.3198613495230621,4.382707474521037,0.221961338386474,13.271211074931648,1.82381667833654,3.967479483797941,0.3198613495230621,4.382707474521037,0.221961338386474,13.271211074931648,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.1249764346307174,3.5997336104885704,4.108990237658058,4.644080042592432,5.195631528047255,5.754846094758448,6.314212616956016,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_39,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408017820211076,0.5760956497492741,1.722236181675992,3.6340432717897935,5.463185199635891,6.640384695673911,7.247283073466748,7.528215473858949,7.633148910103265,2.94790372651718,0.4389866637280778,0.018801811183877,13.505506227590358,3.6090161454314096,8.42217901404056,0.5157546069291232,2.823154141561227,6.136678895599836,0.4904994613043409,6.747149831995953,0.3532966606258851,20.219191583497725,2.823154141561227,6.136678895599836,0.4904994613043409,6.747149831995953,0.3532966606258851,20.219191583497725,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,2.947708548999005,3.397118362188268,3.8836867272209634,4.399808673680544,4.936546063065364,5.485089650087894,6.037640322293008,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_40,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402738148053657,0.5695677341576202,1.630159978105489,3.278306369680996,4.813852249971916,5.798078035830836,6.305562841715282,6.540571312883652,6.6283704787932045,2.6956795361176944,0.4359996982279724,0.0185409346782237,13.286944268026591,3.2017409543838142,8.04503277234211,0.141837047894938,1.899932425244324,4.139244433750041,0.3392578053134356,4.613994867751809,0.2185254972115039,14.248384245718873,1.899932425244324,4.139244433750041,0.3392578053134356,4.613994867751809,0.2185254972115039,14.248384245718873,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.418089721001845,3.915370598981009,4.447805299717698,5.003694320534428,5.57205672725163,6.143483051799853,6.71048729480909,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_41,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411721379422268,0.5734587822375994,1.732798550026699,3.728704110162964,5.665367723409091,6.9186463094509465,7.566125742449612,7.866088976975466,7.978166333230622,3.0075871362286533,0.4378710875868949,0.0187862436779838,15.552503417773416,4.165428053713671,9.26136589162616,0.2936940263165438,3.6055349663967577,7.847735365764852,0.6365985889523682,8.698323678015702,0.4298550967344376,26.534226394681987,3.6055349663967577,7.847735365764852,0.6365985889523682,8.698323678015702,0.4298550967344376,26.534226394681987,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.360703010475276,3.828882681814768,4.332335842369037,4.861667417866005,5.407132938520694,5.9597856892874645,6.512101135534745,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_42,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409874276390708,0.573676506102325,1.779689980769007,4.012783112980562,6.260340491516583,7.730942961859163,8.492965779741636,8.846304104828214,8.978361826124658,3.1912424581685133,0.4378360141738412,0.0187679498252486,16.11065731718708,4.519618475296912,9.757910336627322,0.513254364262504,3.388154424230281,7.3674386823616445,0.5912261445480883,8.117963580614987,0.4186207643218521,24.44505799721477,3.388154424230281,7.3674386823616445,0.5912261445480883,8.117963580614987,0.4186207643218521,24.44505799721477,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.069231470692361,3.513478497682861,3.995335300744932,4.506652428837301,5.038338335267168,5.581612999815945,6.128773306922392,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_43,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414257973670392,0.5666673501065591,1.5959546998006164,3.301706816117864,5.007966260722167,6.143880790795636,6.739560863168413,7.017418421482215,7.121532293671132,2.6816116848162936,0.4359711658966353,0.0188928446890027,12.891897693844514,3.1282876451729704,7.8696057346426995,0.1583463338117412,2.071365966775024,4.505465473660621,0.3627625288216909,4.973466197348551,0.2531680131942104,15.03654718364325,2.071365966775024,4.505465473660621,0.3627625288216909,4.973466197348551,0.2531680131942104,15.03654718364325,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.2565462734428534,3.724533580758412,4.229079141873865,4.760529736351547,5.308891354107266,5.864997287043737,6.421137545232107,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_44,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409563067923026,0.5763506822949042,1.7284244073044397,3.656549674550663,5.5028921355748,6.69177507287233,7.304894026818816,7.588752125562948,7.694785887860035,2.964266971375081,0.439120916863276,0.018851929032504,13.634148787125456,3.658137420743409,8.49915775249971,0.5290479747666211,2.8833397022410634,6.267649044781983,0.5010980084367991,6.892123769735456,0.3605306363808432,20.66016207937061,2.8833397022410634,6.267649044781983,0.5010980084367991,6.892123769735456,0.3605306363808432,20.66016207937061,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,2.9596054626155586,3.409981913602798,3.8971829667202034,4.413631077874972,4.950428711168764,5.498810049663319,6.051016591955742,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_45,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409398653780553,0.5774675220762365,1.6778578809407492,3.464495259020052,5.220886250113243,6.382154997743843,6.989549067193394,7.272580079496975,7.378589934026635,2.8201067415521845,0.4402938078401161,0.018840906488525,12.629832567259545,3.3876789661896245,7.746535405082767,0.3742905503448659,1.85927172120628,4.044344350878338,0.3258222802520653,4.465849963222802,0.2268163548617397,13.511201011613178,1.85927172120628,4.044344350878338,0.3258222802520653,4.465849963222802,0.2268163548617397,13.511201011613178,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.11894418603392,3.592326080024624,4.100319322571777,4.634312413253207,5.1849663250321765,5.743496137479983,6.302390217818052,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_46,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403162269198382,0.5697411251826011,1.6348466670328616,3.3068360954008824,4.876188149552022,5.884848246379248,6.405366359386333,6.646474928452577,6.736561366273871,2.7137974738824657,0.4360991385585741,0.0185509072558786,13.40978248496024,3.2513650991808207,8.106088464971867,0.1471187395031141,1.840534429011711,4.011038730759959,0.3298251891475854,4.479135942192395,0.2092289730058087,13.88509109527243,1.840534429011711,4.011038730759959,0.3298251891475854,4.479135942192395,0.2092289730058087,13.88509109527243,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.4356304270183204,3.934925196591211,4.468689987071413,5.025348031747964,5.59403402869544,6.165439405703377,6.732162289889534,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_47,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412034543459445,0.5736744878647879,1.739132921200849,3.757959414310314,5.72545786024951,7.001576331013465,7.661512099356162,7.96737479315374,8.081675779615818,3.027259813529415,0.4379411799683856,0.0187937760807108,15.72703899157476,4.232103196795963,9.355842555420812,0.3021205651587728,3.598406327448574,7.832740915604647,0.6358499413521194,8.685205858265528,0.4279342236103503,26.51746425740548,3.598406327448574,7.832740915604647,0.6358499413521194,8.685205858265528,0.4279342236103503,26.51746425740548,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.36876781591256,3.83853139850282,4.343041214252556,4.872998485465545,5.41875031747617,5.971429601911603,6.5235773903811,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_48,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412723792886118,0.5665047825550592,1.5937552927811316,3.3001951797697338,5.01701397530318,6.1642380963071055,6.766914080553296,7.048252842597724,7.153704595051108,2.678660882496512,0.4358451449832905,0.0188439895308051,12.878237498326348,3.121845269476706,7.856511145381024,0.1570749046438015,2.1275997779335385,4.627377851520744,0.3722170350477144,5.105336058315253,0.2608681175872337,15.41719356367231,2.1275997779335385,4.627377851520744,0.3722170350477144,5.105336058315253,0.2608681175872337,15.41719356367231,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.2558960715500573,3.720742524045215,4.222179040636783,4.750772023178404,5.296656106849961,5.85072443765725,6.405279069139811,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_49,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410882663344314,0.5744629308113921,1.78172227431913,4.017346702178652,6.269639491460767,7.74452704390096,8.509102286634329,8.863695676306818,8.996233694266234,3.194652079391796,0.4383921500863604,0.0187841694225066,16.117988740188544,4.529275306658778,9.757436633887137,0.5179472016407116,3.376561490526608,7.342343756225616,0.5893142292761812,8.091075324736057,0.4169552488780568,24.36918859669965,3.376561490526608,7.342343756225616,0.5893142292761812,8.091075324736057,0.4169552488780568,24.36918859669965,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1544,3.074976499457965,3.517492533532795,3.997583041513779,4.507215069763888,5.037362667598606,5.579275500257305,6.1252562123821255,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_50,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.241890001025869,0.9712011833104908,2.102347056026564,3.664773209255632,5.318706532507318,6.480528236220933,7.105975954307102,7.4010932788526915,7.512195878962697,3.0925693609655687,0.7724051037424823,0.0260112931868268,9.242934803671565,4.808000740738188,5.244162969259029,1.6102257546541852,2.835270184386377,6.128459521480961,0.4588175460965941,6.505810553159131,0.4257655435464768,23.35270184386377,-1.752905276579565,-3.968059165498565,-0.4588175460965941,-5.423445645352318,0.1045932612788612,-23.35270184386377,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.350567538884844,9.981085727959575,10.62983701296743,11.28528739207505,11.937052382630746,12.576518333107924,13.19701992277488,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_51,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.242113148792254,0.9713059400082668,2.0729331787611507,3.4540708729730847,4.8152289384067855,5.746449623016075,6.243271842906854,6.476925676373933,6.564780080820027,2.9643808908896414,0.7727843803514947,0.0260713035206292,7.745323936427933,4.357173039898937,4.386649735556536,1.566416589166037,2.540642273063136,5.465048799833531,0.3851605682657837,5.621926819189403,0.4360775204427904,20.40642273063135,-1.3109634095947018,-3.0106097883505374,-0.3851605682657837,-4.392247955720971,0.1664651226567421,-20.40642273063135,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.31185553654199,9.939471761198254,10.586385667254651,11.241040740291558,11.892916795844204,12.533217301942202,13.155089424085372,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_52,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2423998260968184,0.9720375996873896,2.0958639303020785,3.637175069000148,5.2737984421703095,6.426989878103559,7.048691753625522,7.342223339343816,7.452756583024623,3.0725521370316224,0.7733265277596444,0.026100993035281,9.134113664648062,4.735199639492403,5.203936051349541,1.598721257901062,2.906315913467309,6.2884324791952055,0.4765789783668271,6.718947740401926,0.4232789430286441,24.06315913467309,-1.859473870200963,-4.198935760835578,-0.4765789783668271,-5.6721056971355805,0.0896736581718654,-24.06315913467309,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.302823561905244,9.935542396936514,10.58683582744106,11.245217825665277,11.900226447871518,12.543119256570836,13.16709712032424,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_53,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2412984677082488,0.9700208293382604,2.075835597449065,3.458926808529585,4.813569743761393,5.738110699690116,6.231059513696274,6.462853490198322,6.550004445646509,2.9697697911552345,0.7713873054472535,0.025936416296688,7.7732885068043105,4.360911655486866,4.419921782090714,1.5747170036861078,2.5422987894730955,5.468778761268674,0.3855746973682737,5.626896368419287,0.4360195423684416,20.42298789473095,-1.3134481842096428,-3.0159929531628227,-0.3855746973682737,-4.398045763155833,0.1661172542106503,-20.42298789473095,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.301086762373956,9.931581170284984,10.580243695182745,11.23567991403554,11.88757138458205,12.527332207582122,13.148302674787285,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_54,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3199206193042418,1.2425937861541625,2.8183661856962727,4.782463495814622,6.491713516795087,7.571141306901087,8.126419090509904,8.383523540901088,8.479586984539262,4.113897492205048,0.984704616964558,0.0388735307614476,14.712067901713942,9.233953940269716,7.587951218718584,2.414357187440603,3.037273907497171,6.635578889561482,0.5604248994848536,7.520673103375999,0.311371925755421,26.394867527182928,-2.566975087351365,-5.696862444550453,-0.5604248994848536,-7.0503742832301945,-0.080925503883976,-26.394867527182928,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.470978993998225,10.326071133415743,11.152514392277874,11.942616860217594,12.691357413347204,13.39598726800614,14.055568953107734,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_55,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.310059386389037,1.2453116279295389,2.9489138607878287,4.996332603958371,6.672775990217102,7.692240777671361,8.207302167006276,8.443895907574802,8.532007254479892,4.314978766308975,0.9751011900668108,0.0380828659277458,15.838746484033004,10.158336079086212,7.737588770615285,2.591267389631471,2.948030793535332,6.482210040571442,0.5846343000067651,7.625105193589452,0.2168030588181058,26.432839967811955,-2.898312206532319,-6.382971740913427,-0.5846343000067651,-7.575386606586439,-0.1924409511866292,-26.432839967811955,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,10.635553079719188,11.297910284005855,11.958128021794026,12.60838443926072,13.24127112755133,13.850806930689512,14.43273300189419,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_56,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3199992262356704,1.2399684564305211,2.808493331643504,4.806639001884092,6.573659107915125,7.690580866087232,8.263769693316954,8.528717568280578,8.627630939513434,4.120612402147256,0.9834126012880048,0.0388747874650454,15.148073654285971,9.152791120880316,7.892600744848543,2.314026700488248,3.058820234290949,6.684037126215712,0.565755346876077,7.584863009299564,0.3107356863628033,26.609208108976286,-2.59873323446982,-5.765703474572739,-0.565755346876077,-7.124776009478436,-0.0852930564504501,-26.609208108976286,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.823380250444805,10.588671077093858,11.34547408001591,12.08203470331454,12.7898227594951,13.463236228569771,14.099088737068008,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_57,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3203516588427463,1.2435703087885253,2.8181450222959072,4.781576637529809,6.4940390016524585,7.577395671067378,8.135206133611526,8.393591858449767,8.490150976022935,4.112795378431188,0.9856405816636056,0.0389335864150276,14.732707955637178,9.241192292203332,7.581506511472942,2.41421938974296,3.019522271936366,6.596162581760366,0.556529515209217,7.471758393610103,0.3108539313094633,26.228201663866173,-2.545772880155805,-5.650558795766365,-0.556529515209217,-6.9980090018295416,-0.0787167293369882,-26.228201663866173,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.431655957824342,10.287726817809386,11.1156458282213,11.907516639623417,12.658172339418904,13.364764361651662,14.026289208996992,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_58,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3101792358064628,1.2454583553130558,2.9511651460292017,5.0112411269958335,6.70495219320164,7.736588641843153,8.258069792092043,8.497654040589202,8.58688457522112,4.324417123662903,0.9752706803587669,0.03810239404595,15.956992872239065,10.191354858223198,7.806450502987695,2.5929033045047887,2.9411986622296658,6.467073688862521,0.5831682496891795,7.606544659743102,0.2165340201452594,26.36935830493192,-2.8904838346621275,-6.365846893037714,-0.5831682496891795,-7.555829832175564,-0.1916837546371657,-26.36935830493192,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,10.635831479164434,11.29751437934504,11.957311295018492,12.60730974186272,13.240040175359374,13.849481431039298,14.431348787604826,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_59,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3199109721139569,1.2395594914603008,2.810717349566651,4.815557344646884,6.584204539129154,7.698668800376464,8.269533516173462,8.533172303973814,8.63155979951644,4.127431275210808,0.982981975279341,0.0389265395969195,15.212399260243444,9.182329104072222,7.921137726778145,2.317544875120258,3.056482188423534,6.679238752765057,0.5656266422930918,7.581495326768269,0.3098603235120388,26.594943787979503,-2.599784234507384,-5.767669636748422,-0.5656266422930918,-7.124797372852118,-0.086078326093125,-26.594943787979503,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.841890604531711,10.606664894851468,11.362481133321236,12.09776397395254,12.804120365274729,13.476047385926588,14.110426091097493,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_60,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2431154689932328,0.9735321890436052,2.096013132076402,3.637631704127941,5.27302647957829,6.423198375750169,7.042567875383728,7.334839143730563,7.444872408860407,3.072787079924866,0.7748418528587901,0.026132117984315,9.08200365136859,4.739932712650188,5.158261814749987,1.5957588831854248,2.864819947028133,6.19499642652378,0.4662049867570334,6.594459841084403,0.4247313018540153,23.64819947028134,-1.7972299205422009,-4.064086733657855,-0.4662049867570334,-5.5268698145984665,0.0983878111240922,-23.64819947028134,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.31399881799185,9.935636172680493,10.57606264789859,11.224269632899734,11.870145567272091,12.505147473683683,13.12254512592583,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_61,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2418979685789517,0.9707054784491173,2.064421138674873,3.4176938809734847,4.748919444411409,5.661755932540799,6.149554835359884,6.379146063699404,6.465501948759405,2.938968640072652,0.7724018104104109,0.0259815325979111,7.555300396103678,4.272158592526064,4.3025405904575855,1.5524901924932637,2.575337004887791,5.54317058053579,0.3938342512219477,5.726011014663372,0.4348632048289274,20.753370048877905,-1.3630055073316856,-3.123356911413803,-0.3938342512219477,-4.513679517107267,0.1591792289735643,-20.753370048877905,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.326657748770264,9.95462093395863,10.601196843251472,11.255163390081403,11.906219556967644,12.545697481408125,13.16681053923541,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_62,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2423221140592188,0.9719565962573768,2.097732342509438,3.647318512401037,5.290559097708749,6.446163627692738,7.068508222784781,7.362201597411829,7.4727736144255,3.079594850207624,0.7732580543200475,0.0260546610232572,9.146568890369814,4.762265464040966,5.192380130325174,1.6013946658204523,2.868680944241995,6.203690195340258,0.4671702360604987,6.606042832725985,0.4245961669515301,23.68680944241995,-1.803021416362992,-4.076633777693767,-0.4671702360604987,-5.540383304846982,0.0975770017091813,-23.68680944241995,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.336023298285564,9.96515544661876,10.61288703158759,11.267788669563002,11.919472503500185,12.559260724178454,13.180399196015156,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_63,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2414648130672347,0.9698744843279644,2.072983339785336,3.453925437690002,4.809701178413133,5.7352529636730925,6.228590826711583,6.46051481585594,6.547704979613412,2.9649770181698587,0.7714005631846755,0.0260010161221807,7.763035054433076,4.355126266003894,4.408373941084552,1.569759613727723,2.541407352496817,5.466771521543561,0.3853518381242044,5.624222057490454,0.4360507426626114,20.414073524968178,-1.312111028745227,-3.013096059335384,-0.3853518381242044,-4.394925733738863,0.1663044559756684,-20.414073524968178,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.278387219229696,9.911881754067876,10.563476327245692,11.221667209223428,11.876072518119726,12.518077800943258,13.14101874864193,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_64,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.320568135704008,1.2435278652579442,2.816842524171443,4.777849653553613,6.487239759209033,7.568109986292112,8.12447309761203,8.382150461179968,8.478438769511786,4.110008974691083,0.985734516575452,0.0389884482467078,14.702000582695836,9.228606866601584,7.559055996398788,2.410463296145384,3.0331609269495674,6.6261924832534165,0.559274192442096,7.507354466486336,0.3117730500768864,26.35128848358976,-2.559580997471393,-5.680926944014977,-0.559274192442096,-7.033774537008162,-0.0797188846325804,-26.35128848358976,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.458354079300452,10.31315406746351,11.140215918835638,11.931473475146312,12.681645033347168,13.387808441600043,14.048916182157502,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_65,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3099814316185985,1.2449980278641737,2.951379868184019,5.0127793788625725,6.709147401340274,7.743523267592152,8.266747396353463,8.507214261836559,8.596786683016676,4.325376509619495,0.9747884427952694,0.0381019006351331,15.950122492466893,10.193290554162088,7.7958025763930205,2.593222851545007,2.9506452561801875,6.488040728599451,0.5852328965385797,7.632508428488825,0.2168270927972739,26.45788421167253,-2.9016837092056105,-6.390313480838198,-0.5852328965385797,-7.583546881514248,-0.1928359347797315,-26.45788421167253,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,10.634968834075002,11.301634118202012,11.965842289412898,12.61953921445724,13.25523407836984,13.866952847146075,14.4504909931026,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_66,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3200644992869321,1.2396816807588449,2.8050585605894245,4.794116701594591,6.549056091149781,7.6571393324179695,8.225600216976831,8.488337703152876,8.586423152434294,4.111837566962657,0.9833119553184312,0.038901591341856,15.069652766152338,9.12819917495898,7.842550600051223,2.3091310423259923,3.059348171402646,6.685215320780065,0.5658770099147232,7.586364250720432,0.3107388831663774,26.614281055307696,-2.599421927744587,-5.767202538438578,-0.5658770099147232,-7.126438007062373,-0.0853750237739284,-26.614281055307696,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.81423107019554,10.580966985560815,11.338849107312893,12.076256242501143,12.784732919421456,13.45871897983294,14.095052074682227,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_67,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3201995095689753,1.24301746956418,2.817167230696444,4.777670818860775,6.483724448899715,7.561265051064709,8.115611898954745,8.372293569665535,8.468200304863386,4.110388261252979,0.9851851836336054,0.038910229197176,14.685862032381362,9.223058234706391,7.57244265808497,2.412370413647843,3.0273273594652497,6.613437689094655,0.5581879224862296,7.492830739355088,0.3111957689168896,26.300395247050844,-2.5545518653970483,-5.669777802934524,-0.5581879224862296,-7.020055245286886,-0.0795357768234707,-26.300395247050844,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.454128577255297,10.30890216920842,11.135558863237478,11.926205565154312,12.67568398417653,13.3811535810909,14.04161657772939,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_68,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3099870209227201,1.2451662196754616,2.9487670874714014,4.996283528950428,6.672689188723082,7.692036443737133,8.207007939780636,8.443553420634988,8.531645675584656,4.314904455560513,0.9749736180676128,0.0380623978625532,15.853239668312384,10.159346630391942,7.746764403674799,2.590424523953468,2.9463946049926224,6.478555125447165,0.5842538756716039,7.620425610365452,0.2168002175360166,26.41705053839519,-2.896144151723416,-6.378255220721829,-0.5842538756716039,-7.570175157096246,-0.1921774954341056,-26.41705053839519,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,10.637731306710217,11.29889723690506,11.958256458291412,12.607893005996782,13.240331502664125,13.849543674006938,14.431237392390454,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_69,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3199934118826374,1.2397726205182795,2.8102108164938766,4.811015872494476,6.578324494404585,7.694371882530713,8.26684077355102,8.531400581687897,8.630160637455608,4.124296240265959,0.9831504627907162,0.0389462986262195,15.180203386931517,9.175422173910553,7.89850328762532,2.3168536773631674,3.059096485031574,6.684875764347899,0.5660361963949282,7.587386056191,0.3102812652361221,26.61620635305644,-2.6012654789177074,-5.77104507614462,-0.5660361963949282,-7.129555050077133,-0.0859440722403271,-26.61620635305644,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.821719594902486,10.586920316503363,11.343301021620428,12.079254598318844,12.786356007440183,13.459073901071315,14.094265839782643,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_70,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2423015295219092,0.9721039626021633,2.0987818099009283,3.647228281497585,5.287412758522489,6.440389773675732,7.0612137950963865,7.3541680708153105,7.46445849248424,3.080224856118984,0.773283266501378,0.0260757038861964,9.145426591930754,4.759307063847017,5.201203342480231,1.60436304638267,2.874921952350709,6.217743010888568,0.4687304880876772,6.624765857052128,0.4243777316677252,23.749219523507094,-1.812382928526064,-4.096915119334575,-0.4687304880876772,-5.562226833227482,0.0962663900063514,-23.749219523507094,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.296353333509952,9.9298267030441,10.582133335023782,11.24156890406768,11.897543221759822,12.541254346372718,13.16588847382816,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_71,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2414692259333694,0.970435170621884,2.0746948236429064,3.4542312283615537,4.805898011444829,5.728515368949112,6.220427337668805,6.451727393566413,6.538691385470928,2.966282625582345,0.7717913938582235,0.0259569771862168,7.75261131228346,4.355983750089319,4.403509774837499,1.572179898338905,2.539773424203515,5.463092421544813,0.3849433560508788,5.619320272610545,0.4361079301528768,20.39773424203516,-1.3096601363052731,-3.007786298899922,-0.3849433560508788,-4.389206984712304,0.1666475809172619,-20.39773424203516,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.271057260350217,9.906912184069306,10.56236999431752,11.225311349912763,11.884826776206848,12.53189874444507,13.159585500690142,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_72,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2429247022113654,0.9733305302945234,2.0985551695664784,3.65126779261288,5.3026469590753305,6.465360421193177,7.091803007369128,7.387478847286129,7.498804269151878,3.0816922711681443,0.774568671654704,0.0261045449411121,9.17569052422952,4.765913925386159,5.218421375884432,1.6002831802860735,2.860226861274742,6.184654221263725,0.4650567153186855,6.580680583824227,0.424892059855384,23.602268612747423,-1.7903402919121134,-4.049160628815916,-0.4650567153186855,-5.510794014461597,0.0993523591323043,-23.602268612747423,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.292687008083668,9.91631866057557,10.55849707806804,11.20827411065683,11.855564564816383,12.491838964148338,13.110376920900954,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_73,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2422092830365493,0.9711815900234732,2.0667972755078963,3.4313463167003944,4.776980225816494,5.699462485002405,6.19220389453372,6.424065632221582,6.511266194822298,2.94783693315089,0.7728972407351408,0.02602324613399,7.655734543783237,4.313723044514155,4.34782338251602,1.5555755376236375,2.575165186218738,5.542783698156871,0.3937912965546846,5.725495558656215,0.4348692184823441,20.751651862187376,-1.362747779328107,-3.1227985540031704,-0.3937912965546846,-4.513078151765583,0.1592153108940652,-20.751651862187376,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.31856500577033,9.942940311414011,10.58639408763672,11.237727488378066,11.886634243887658,12.524421209499636,13.144263210160029,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_74,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3203947576271996,1.2437241359174704,2.81777452418293,4.776597754043026,6.480258073972036,7.555892244818922,8.109162582031962,8.365327341670746,8.461038221054766,4.11001965986748,0.9857538237655752,0.0389547080645057,14.677510816626649,9.22266791294144,7.553238381765694,2.4117370262400715,3.0253618566585487,6.609159851947511,0.5578411221176485,7.488090833599736,0.310960953315627,26.28363172564572,-2.553049364517935,-5.666424117634845,-0.5578411221176485,-7.015778341459124,-0.0795278321667264,-26.28363172564572,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.460406219200904,10.31396683906183,11.139615397473175,11.92945417003919,12.678303746598903,13.383296196861188,14.043405715986475,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_75,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3102613925214292,1.2457676151421049,2.951578061316847,5.007396774315121,6.692323530838586,7.716551171478195,8.233802618983779,8.471347971328747,8.559804726231564,4.32276255939606,0.975504396237669,0.0381168604376092,15.907245856707188,10.180642822601811,7.776638353971897,2.5932926135980874,2.9413415943147365,6.467386995617175,0.5831956405852394,7.60690671899665,0.2165465359852182,26.370620783278472,-2.8906148115376564,-6.3661363371941215,-0.5831956405852394,-7.55617993621957,-0.1916904124244489,-26.370620783278472,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,10.626719047906304,11.288584319954328,11.948466652121072,12.59853810664566,13.231369092321344,13.84095254985199,14.423004093423511,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_76,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3199212093845729,1.2394523974238032,2.807656937462026,4.8009087298019,6.555530821600457,7.660697804586714,8.226826113340197,8.488296978496468,8.585879396366943,4.117532732256956,0.9829513836253424,0.0389244249250628,15.105856867057197,9.148702368227609,7.863495843386634,2.314702605329507,3.0580228845258963,6.682621064344208,0.5659268907960017,7.585438010893909,0.3099847427460857,26.60865223854952,-2.60124602343412,-5.770894449605022,-0.5659268907960017,-7.1286611498021335,-0.086164080811115,-26.60865223854952,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.838526887056336,10.605293026582174,11.363127697773136,12.100314833912014,12.808378548453804,13.481776277649198,14.117379264579474,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_77,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3205500544830364,1.2435418968769658,2.8181846426583603,4.784750561908557,6.501371657824933,7.587349880965624,8.146425842562858,8.405372333521749,8.502136547446305,4.114580908098676,0.985713784372248,0.0389925214817993,14.752693436937324,9.244103256953196,7.593458711730259,2.4133298289665133,3.0343119604609248,6.628781266575146,0.5595590299729556,7.510784200244569,0.3117388976826463,26.362740401763737,-2.561278339268631,-5.684606158675328,-0.5595590299729556,-7.037750579052276,-0.0799524232984222,-26.362740401763737,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.461174747925938,10.316286746483913,11.143471384611784,11.934718629488655,12.684790791732604,13.3907986335889,14.051718373037914,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_78,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3100995676754304,1.2453660055866975,2.9534706467282934,5.020897173863275,6.725015988512929,7.764985560001642,8.291224352946326,8.533111687536712,8.623218395329685,4.331012887754813,0.9750756028664046,0.0381239792906141,16.011713823980735,10.217738008503018,7.825148335039234,2.5961155752013765,2.9499254037065508,6.486443111679138,0.5850756833283104,7.6305308703330335,0.216804512826758,26.45114068509896,-2.9008314295765523,-6.3884515393156605,-0.5850756833283104,-7.581436896203034,-0.1927484655030587,-26.45114068509896,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,10.630154044103742,11.297784144815152,11.962610478680352,12.616716664239265,13.252696547138283,13.864627061672527,14.448333727244764,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_79,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3201562403738486,1.240009711096575,2.8058599893598246,4.797886546311007,6.558955361088767,7.672570638207781,8.244323069798043,8.508679250442347,8.607384269329435,4.114140970008751,0.9835812698861476,0.0389126641192606,15.099801448038027,9.1398657049869,7.856629518294329,2.310966417249495,3.0590038972338256,6.684434841304651,0.5657857781160149,7.585290122161945,0.3107617756009429,26.610735048489428,-2.598853883926324,-5.765975414742878,-0.5657857781160149,-7.125140108854444,-0.0852882690802671,-26.610735048489428,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1544,9.789897832026483,10.556742645149118,11.314846775775475,12.05263034356191,12.761634920712174,13.436276897307415,14.07336347361498,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_80,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1023800193469472,0.6016590605842578,1.851210706561144,3.8897221495956575,5.873916551579428,7.170425736176934,7.844022396747998,8.156910853889677,8.273947471379925,3.155332580157437,0.4432999178077483,0.0054036361006106,13.240962146727588,4.415692825535509,8.199128150151212,0.8670137295660417,3.65786344257171,7.885561950468374,0.5714600875036597,8.229544142600986,0.592286903102452,24.003918087895148,-3.65786344257171,-7.885561950468374,-0.5714600875036597,-8.229544142600986,-0.592286903102452,-21.71288891239764,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.297731093594392,12.019622221116778,12.73510818309986,13.434203835938016,14.109038196035051,14.753968165674216,15.365373325590047,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_81,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1267961724393007,0.8459669977600035,2.465284588279512,4.63077737170516,6.539448224445574,7.74530870608304,8.364943421421751,8.65163818853225,8.758721273327593,3.8875698448678935,0.6147278103109929,0.0056261209182655,15.555298523777273,7.450587676876638,8.850904197302723,2.181160728575389,2.4023688618395336,5.176547837566748,0.3729316646476553,5.385822179020777,0.3940042465412957,15.741160955674223,-2.4023688618395336,-5.176547837566748,-0.3729316646476553,-5.385822179020777,-0.3940042465412957,-14.093372216138196,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,9.537406962032582,10.22726595381169,10.92128821276398,11.613249724800154,12.295994047720985,12.962731962720364,13.607756443341696,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_82,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0963903357835244,0.5693169360362802,1.7683186937227646,3.9006935132160727,6.096604310887547,7.561174151644598,8.327229583448506,8.683910195783819,8.817443214601449,3.1122798000180514,0.4205978462818882,0.0048172109772174,13.69816079658819,4.426398357644745,8.329670986861428,0.7422288571155212,3.0366852873962804,6.571179827727504,0.4986076832145633,7.025546753112786,0.4408996560735946,20.16950326912704,-3.0366852873962804,-6.571179827727504,-0.4986076832145633,-7.025546753112786,-0.4408996560735946,-19.719111388038023,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.343583102298089,12.137204849868136,12.917146516892492,13.6725625154063,14.395057073249347,15.078956695883544,15.721047272372946,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_83,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0964957832987283,0.610158367962872,1.8842410470027644,3.925677296693249,5.948336057863694,7.292799124025841,7.99789901319668,8.326862789747143,8.450140358948326,3.187578486735765,0.4443870807417002,0.0047257372042527,11.757964280169585,4.754089565215985,6.739380452910115,1.0051216019806626,4.46552211205847,9.737256817065738,0.520931556943177,4.268614813058555,0.486256599516307,19.11994660310097,1.4575375548244816,3.3054140914052583,0.1025484079918703,-4.268614813058555,-0.486256599516307,2.384620645048709,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1544,10.648632036609854,11.430787591375603,12.20687311388125,12.965270232133893,13.69660849957194,14.39414647476188,15.053610866580634,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_84,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0999723686598622,0.596554197583067,1.7760735520971824,3.476253388425339,5.009623376100601,5.985913728434629,6.489388154735524,6.722726963762931,6.809942961135782,2.88538179121115,0.4388234062115347,0.0051519132177023,10.387565226381431,3.4994057731755013,6.612608453704121,0.760528575060123,3.912083270743013,8.4387283664284,0.6161857699023692,8.841569429961966,0.6229306858691009,25.722274052738754,-3.912083270743013,-8.4387283664284,-0.6161857699023692,-8.841569429961966,-0.6229306858691009,-23.572587539450776,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.473867375296244,12.217613519701748,12.949078932444182,13.65890788602689,14.34001215891594,14.987552012496009,15.598656138067868,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_85,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1268239468430356,0.8452812745424149,2.4117127251392567,4.34363150946549,5.936399709267647,6.91395704689265,7.411091078996816,7.640229486673371,7.725692351904675,3.699580960271587,0.6149272167806196,0.0056074399033309,12.854966282497616,6.467721513682888,7.483624969074015,2.128599352548391,2.293310223592968,4.941919106843942,0.3563611214286616,5.14419919502226,0.3753636545603646,15.030162332251454,-2.293310223592968,-4.941919106843942,-0.3563611214286616,-5.14419919502226,-0.3753636545603646,-13.478727382041477,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,9.65470447418948,10.34651218660492,11.039337678149606,11.727924995427925,12.405913675385774,13.067113142332376,13.706242030516322,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_86,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0971940782078595,0.5666174652979223,1.6904229362045822,3.552660872406644,5.371628631218299,6.551322490115792,7.160740952755553,7.442992107728535,7.5484346954609,2.87846819562642,0.4206120196129342,0.004896485859048,11.391016189022585,3.534943585263933,7.197058661684912,0.6687562101327316,3.105661823079462,6.718587572197792,0.5081217229175825,7.17063560642012,0.4547186751820127,20.609526344573126,-3.105661823079462,-6.718587572197792,-0.5081217229175825,-7.17063560642012,-0.4547186751820127,-20.040211488833467,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.406542561232165,12.209961903965748,12.997019048575014,13.7569983633096,14.481863912351749,15.166374022993088,15.807731912595244,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_87,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0974660887072911,0.6028790245771274,1.817766294602914,3.727311167844943,5.584484635669366,6.802338853071031,7.436487977294417,7.731372982783926,7.841726559502335,3.04112521308997,0.4415522720875591,0.0048397845675585,10.552550909741582,4.175937569131249,6.144097633416891,0.8918961674721058,3.584502372513923,7.814116189097242,0.4004877076985843,3.044942482854128,0.3939712602980441,14.707855947861985,1.4959097327518571,3.3730314837312463,0.1342925139083399,-3.044942482854128,-0.3939712602980441,4.060048196252206,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1544,10.75549205900329,11.515234229777732,12.271574270560402,13.013015289442864,13.730071432842465,14.415761634705817,15.06552092660705,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_88,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1001367388784766,0.5963890145328969,1.851972085407373,3.8988441922504777,5.87744021535647,7.163857578428416,7.830543859350155,8.139874801471619,8.255526912967339,3.163022764202026,0.4383397062278244,0.005174524793392,13.283326895005024,4.443394739140236,8.238373087196289,0.8817022833345535,3.632531806854413,7.829986776036337,0.566558419917604,8.164999166195248,0.590167903531694,23.82824323344811,-3.632531806854413,-7.829986776036337,-0.566558419917604,-8.164999166195248,-0.590167903531694,-21.496430359960225,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.473886523873674,12.217890251102412,12.949690078352742,13.65982597045971,14.341166177013683,14.988862320377814,15.600051151431018,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_89,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1252027510592443,0.8415872134594319,2.4586206445443675,4.627480613253146,6.540469802584645,7.748435538292703,8.368871004326254,8.655867389809824,8.76305180882521,3.882644934793656,0.6110064141985622,0.0054591809650132,15.591461586174804,7.440454538859974,8.86368678757587,2.164131766165906,2.475959349015273,5.336205107739548,0.3854181304558865,5.559304392662366,0.4038420070601222,16.233978049635233,-2.475959349015273,-5.336205107739548,-0.3854181304558865,-5.559304392662366,-0.4038420070601222,-14.599472386835693,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,9.736743094709295,10.427218981496488,11.12073774534936,11.811057484967495,12.491073841394456,13.154110813450233,13.794613473034635,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_90,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0960800183447967,0.5684401174655233,1.7762521675585914,3.940788387147942,6.165337119376646,7.644445047099524,8.416744686424227,8.776035601157146,8.910499056040731,3.140346909698548,0.4197895446096452,0.004788031536347,13.93602750098811,4.533656395438483,8.440729887798986,0.7452717685484688,3.0294798614343224,6.554799170659887,0.4966535328297726,7.002708124072503,0.4414727131602955,20.11393463546933,-3.0294798614343224,-6.554799170659887,-0.4966535328297726,-7.002708124072503,-0.4414727131602955,-19.61834799091247,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.390606176236124,12.201603523822213,12.995079601136808,13.76032853382469,14.489409168437446,15.17721077346501,15.821075801310108,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_91,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.097508414313353,0.6100597018789287,1.8810339036866224,3.935268400619475,5.979964811133592,7.3407869569763,8.05465721247708,8.38772991639986,8.512548439217396,3.19083599728044,0.4451144688172669,0.0048320264459384,11.853158035896014,4.760015252918878,6.79719121136176,0.994387948928118,4.395965638407944,9.586083150236426,0.5106498664735681,4.144122543253438,0.4775704466154743,18.72203151909952,1.490019969586196,3.374950095181532,0.1089275659468676,-4.144122543253438,-0.4775704466154743,2.653139498031494,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1544,10.736742949450647,11.513755094188618,12.284838425361496,13.03839034936369,13.765066647900923,14.45815381753823,15.11340175161867,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_92,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1026099810245142,0.601902704225467,1.7769847551332292,3.471965049671665,5.002878678330865,5.978076895126107,6.481030928268283,6.714128895657307,6.80125431040555,2.882515495621433,0.4441243236654171,0.0054229313465979,10.410869246558608,3.497084801954582,6.616214031699763,0.7467762744512805,3.936507710173939,8.49164476960527,0.6202583011636018,8.898574119482753,0.6263463455416666,25.88512156250572,-3.936507710173939,-8.49164476960527,-0.6202583011636018,-8.898574119482753,-0.6263463455416666,-23.735542530582425,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.171178618265486,11.889189509116012,12.60206507887995,13.30001142123696,13.975093908624428,14.621482494378892,15.235326689303845,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_93,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1295244757980415,0.8518110872410786,2.4203656888946083,4.348585233769313,5.932344975818202,6.902599825742088,7.395701740910586,7.622930169999966,7.707673729984127,3.706733508656768,0.6207812471555011,0.0058938496677465,12.823777923141712,6.500478838953907,7.450987905222473,2.14540980165649,2.2828875997229203,4.919025111297053,0.3543172027162802,5.117425221453161,0.3745487981600424,14.957610025777404,-2.2828875997229203,-4.919025111297053,-0.3543172027162802,-5.117425221453161,-0.3745487981600424,-13.387766191525014,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,9.30503123252092,9.995960693353014,10.689873674537386,11.381272555834762,12.06365873829889,12.730700617705908,13.37694096868436,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_94,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0985768784977291,0.5698631186660763,1.686370719220041,3.526037431117809,5.324732146418517,6.492907829729813,7.096780656485507,7.376541268767963,7.48106493512353,2.8601076951821183,0.4236962724250801,0.0050333867499481,11.305770150739264,3.4677189756167444,7.15846859736369,0.6543025115248043,3.138102672224778,6.788962324301007,0.5136194127071362,7.2470579738818675,0.4590695427051547,20.82670748819525,-3.138102672224778,-6.788962324301007,-0.5136194127071362,-7.2470579738818675,-0.4590695427051547,-20.26284552837565,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.259405712442536,12.028093543797128,12.789367555269257,13.531575021383096,14.24542030368828,14.924354053253069,15.56437378548097,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_95,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0964302203320114,0.6045336585099543,1.8199621803750816,3.714713414167076,5.560470869638346,6.773659578689639,7.406145377469687,7.700415906951679,7.810563992917086,3.0339720795333607,0.4418703734477576,0.0047258599190212,10.491735626145074,4.141117422411838,6.1215736945364245,0.9015146527211996,3.6269450161111454,7.906311702588374,0.4030765248614714,3.0356937596096367,0.3992470886841643,14.806325093769113,1.551726816208307,3.497205440681676,0.1420468259089972,-3.0356937596096367,-0.3992470886841643,4.365137135670146,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1544,10.638368387668796,11.408957794488382,12.175363278902296,12.925964029901392,13.651255289016415,14.344296356239996,15.000591813753156,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_96,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0985326024746684,0.5932298940920677,1.8574009120942363,3.927219251321267,5.928630281637091,7.228821526864328,7.902228663221318,8.214577582721223,8.331341619424645,3.182763171601577,0.4350816940016395,0.0050150743414453,13.401122951638657,4.508040798457606,8.299052516540733,0.8981490922318115,3.622893513062013,7.808927593552525,0.5647777987805014,8.141115903306023,0.5891844439613333,23.76224555311508,-3.622893513062013,-7.808927593552525,-0.5647777987805014,-8.141115903306023,-0.5891844439613333,-21.419978349325028,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.550593134601112,12.299483971498036,13.034459172042084,13.746279594393442,14.428063379061358,15.075207765765644,15.68507332451371,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_97,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1237318690959313,0.8380587170862591,2.450785761369763,4.607325928038314,6.505241924541252,7.702565011464526,8.317347064732814,8.60170092287725,8.707895039626719,3.867434545132636,0.6078687027482014,0.0053066320371846,15.45887869399877,7.368002972319517,8.803575811929687,2.1524986255878,2.485200345025204,5.356671871511358,0.3873948754752342,5.5843593488270775,0.4042189305643578,16.29995047987836,-2.485200345025204,-5.356671871511358,-0.3873948754752342,-5.5843593488270775,-0.4042189305643578,-14.691639558140375,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,9.89009511861414,10.578324934500062,11.268230539339337,11.954050276826212,12.629006083048164,13.286649523613676,13.92158959165513,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_98,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0948774355746042,0.5639955474307695,1.7524715500656325,3.865923653470732,6.045451341140202,7.500690336547924,8.262286927039465,8.616979588483858,8.749781994556951,3.084194831669132,0.416405785606452,0.0046717121885,13.5047384974958,4.340976598199646,8.222447853588626,0.7204599053090266,3.039920124937362,6.579100854817613,0.5000393889501324,7.040235236538421,0.4394781444240292,20.19999451418813,-3.039920124937362,-6.579100854817613,-0.5000393889501324,-7.040235236538421,-0.4394781444240292,-19.80315660182245,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.534988236970111,12.356246753106678,13.156471841185995,13.925380872586835,14.655534626050676,15.342332900822283,15.983592086773012,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_99,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0982506468354362,0.609963474872558,1.864153862843953,3.874430957545679,5.875270093611592,7.209240749520349,7.909831786510082,8.236894133424506,8.359490089090663,3.146537880165688,0.4457864679534887,0.0049073212636787,11.505483979592832,4.598658743298596,6.624667204006059,0.9666054052224542,4.342201355049543,9.4654013367856,0.5080255820210032,4.229447107820968,0.4790342373284998,18.73569899605002,1.3265285852744164,3.017231498069973,0.0886828327499398,-4.229447107820968,-0.4790342373284998,1.96198902520748,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1544,10.801877861086414,11.549778971875655,12.295522277605068,13.027622128659145,13.736601430292716,14.415444921996478,15.059510246173629,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_100,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0977910723769063,0.5912795763182643,1.7741723111134846,3.4891917967980475,5.038760605947484,6.024754649584189,6.532832775641536,6.768197559887335,6.856152504127875,2.892411907496695,0.4339574008836194,0.004933907419189,10.467104452018592,3.537201209947715,6.653151026296809,0.7585762338213166,3.927575994500872,8.472038192794253,0.6185190149893524,8.875728114415692,0.6256223058277878,25.823070122397887,-3.927575994500872,-8.472038192794253,-0.6185190149893524,-8.875728114415692,-0.6256223058277878,-23.6584510767503,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.438350445118632,12.198220563685792,12.943801383591817,13.66578371817188,14.35714563509558,15.013160664374494,15.631112196216147,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_101,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1252857959819791,0.840898283013024,2.409214696897521,4.350298274062491,5.950334460905541,6.931109139405521,7.429466111410412,7.6590755809908035,7.744699443492069,3.7029325773040687,0.6110614074650206,0.0054653193330269,12.882973170154072,6.490772699569075,7.476538933672284,2.1203108711046657,2.3374415544236227,5.037129666864136,0.363327001676429,5.244057567835053,0.382359658147074,15.320477788882403,-2.3374415544236227,-5.037129666864136,-0.363327001676429,-5.244057567835053,-0.382359658147074,-13.74568234523192,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,9.724093532348904,10.420467260202482,11.116613783213404,11.807376356642097,12.4865187087539,13.1479906283024,13.786656113476756,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_102,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0966595539219403,0.5656384937054325,1.6923690635566464,3.557515433620107,5.375636826335448,6.553046632718878,7.160769200664136,7.442117298207433,7.547203525500175,2.882749348594464,0.4195498985226215,0.0048424565390882,11.378080107480782,3.55175226927208,7.180567037336317,0.6742600317233063,3.157656688868137,6.832029277886778,0.5175667086178347,7.298190357810814,0.4603616894479339,20.96395053051903,-3.157656688868137,-6.832029277886778,-0.5175667086178347,-7.298190357810814,-0.4603616894479339,-20.44138615890775,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.46528738966212,12.267652171748676,13.054266006005312,13.813978344229737,14.538499323963302,15.222460467631302,15.863020616175255,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_103,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0979185969736214,0.601668150124387,1.8011715924369922,3.6849513140876695,5.522930095867251,6.730341293996313,7.359509715552216,7.652164514093971,7.761696160492405,3.007272526713824,0.4413778962570298,0.004886653545556,10.394486908631963,4.0502278654029045,6.077033174032414,0.8590581934827944,3.538967536809129,7.70861518860731,0.3978669406331257,3.1572348814773683,0.4020661640087883,14.798789885325998,1.2987964223007686,2.9442174350994064,0.1113713708521266,-3.1572348814773683,-0.4020661640087883,3.338967094086035,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1544,10.861813903597684,11.599794966942165,12.337414294978158,13.06286511554457,13.766393715848078,14.44075638986626,15.08112551118925,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_104,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1000853839271826,0.5967409922912665,1.849790394756733,3.889883891270008,5.8670573437769225,7.155111744465552,7.823285612062291,8.13343619153745,8.249414486786693,3.155993658102116,0.4385283089791287,0.0051675934509317,13.212318625262665,4.412652586621802,8.196012303195536,0.8763722701047787,3.6322472107810935,7.829822475726961,0.5669531884390252,8.167872718293296,0.5891994375607829,23.830767938295725,-3.6322472107810935,-7.829822475726961,-0.5669531884390252,-8.167872718293296,-0.5891994375607829,-21.5254871368263,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.501157561134578,12.240774739350046,12.968782450990066,13.675683013506127,14.354290489283978,14.999694511982025,15.608969520201404,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_105,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1250363479597652,0.8413934225316123,2.4584121643793586,4.62242244593935,6.5273120324929295,7.729106788340223,8.346189482001726,8.631606438402788,8.738197262783874,3.879885226841381,0.6107385993357359,0.0054441848805879,15.534690226271463,7.421510482139979,8.835761637387666,2.1652473915791024,2.467900339772297,5.318772918880051,0.3841016863140384,5.540713830284604,0.402657625228945,16.18051856200187,-2.467900339772297,-5.318772918880051,-0.3841016863140384,-5.540713830284604,-0.402657625228945,-14.547616343121202,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,9.78142170012079,10.469195497434823,11.15929774744382,11.845958380734562,12.522361552112203,13.181992662442545,13.819375660693032,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_106,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0960188775192234,0.5681982018875129,1.7718534860292017,3.921065226769679,6.133237457761188,7.606959775112285,8.377271193879526,8.735815323655995,8.870027266077656,3.126246224054483,0.4195841798937005,0.0047842551919047,13.801400399300531,4.488109852116716,8.365914034576358,0.7393063005798101,3.031946598324688,6.5609345732560165,0.4978383618834698,7.014653493392447,0.4401932732238104,20.13811661045814,-3.031946598324688,-6.5609345732560165,-0.4978383618834698,-7.014653493392447,-0.4401932732238104,-19.688952340219448,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.45828298039758,12.273006217605404,13.067887944346698,13.832888787780403,14.560578773596005,15.246231505151815,15.88747292529898,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_107,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0979206680129747,0.6105151773943982,1.880929281924516,3.9247048256681807,5.953518180585643,7.303235712825697,8.0113460035511,8.341762698753346,8.46559190015185,3.18513748797148,0.4455954550317758,0.0048772891701237,11.735982206777628,4.744235272956436,6.728545037357905,0.9924307639694102,4.390447690031639,9.573996384189837,0.5118478733374072,4.182622884128604,0.4771470344230568,18.772830726370696,1.4488057427857597,3.284131873612488,0.1028103827486346,-4.182622884128604,-0.4771470344230568,2.411331102819797,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1544,10.72356457101609,11.495034315042304,12.261329083997378,13.010996451703512,13.734698775057748,14.425648986815396,15.079486668202252,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_108,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1024165894718762,0.6022946320915952,1.7811518018412902,3.47897315618121,5.009208554615152,5.982732930836911,6.484530122573197,6.717033855629289,6.80392840157568,2.8889983500861622,0.4441399899839324,0.0054032287636234,10.40662099776096,3.5099555667304667,6.61920818874303,0.7639180842719177,3.90491152023496,8.422961200551288,0.6147657379661966,8.823037423964532,0.6223985951861175,25.67221498083677,-3.90491152023496,-8.422961200551288,-0.6147657379661966,-8.823037423964532,-0.6223985951861175,-23.50904405645896,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.220914806208496,11.942860824361013,12.658440122902478,13.358018050048315,14.033830078387934,14.680212976036929,15.293470133766,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_109,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1284308422154874,0.8487547672256278,2.4160130903965493,4.347664578258876,5.939382348068163,6.916054704672143,7.412678763459824,7.64156893267065,7.726937094975236,3.703854559335616,0.6181327053604111,0.0057846740109806,12.87106760745485,6.4929053702589,7.482710048320315,2.1320921183912023,2.297559349736375,4.951161851420121,0.3571056644240244,5.15440466512857,0.3758821860803724,15.05885339292212,-2.297559349736375,-4.951161851420121,-0.3571056644240244,-5.15440466512857,-0.3758821860803724,-13.509599760999835,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,9.407737530373726,10.099388599808265,10.792808366409398,11.482853941423071,12.16326384761006,12.827873114107362,13.471349281700588,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_110,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0976237619574661,0.5672071517874616,1.690853915359578,3.556889733004951,5.379406155692328,6.560683576793586,7.170681277245972,7.453146476336846,7.558660346481203,2.881174418898448,0.4213355882400187,0.0049384339978255,11.456586645920243,3.5431969302486137,7.229414279108685,0.6625021796576315,3.121289399685307,6.752410446396419,0.5106934223322628,7.206836778343409,0.4569756189480488,20.71338122174916,-3.121289399685307,-6.752410446396419,-0.5106934223322628,-7.206836778343409,-0.4569756189480488,-20.14209256483185,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.284807233267165,12.063583854304484,12.83244483120791,13.580137213388232,14.297733407359686,14.979014990140094,15.620268774772628,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_111,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0959358300786706,0.6034959616515343,1.826019690048712,3.736765447862672,5.5929509101401775,6.8102504405080095,7.444181681445196,7.738982104872194,7.849306690214729,3.0507338899452074,0.4407683988488405,0.0046778319058892,10.579342358397971,4.211330325130405,6.157217256411902,0.914141851584126,3.6784425966259993,8.020586859046023,0.4100060830166648,3.07672175765928,0.4007490600799526,15.006004057318,1.589673157581195,3.579887212493285,0.1445324174261977,-3.07672175765928,-0.4007490600799526,4.38705743369932,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1544,10.624448569271577,11.401190889041622,12.173012432573255,12.92829447997694,13.65754564500219,14.35386049680726,15.012798517258778,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_112,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1016322564421964,0.6006548195433868,1.861856797667599,3.9220651742221455,5.916871157449394,7.214933652336339,7.887903988822847,8.20019911478664,8.316966745687923,3.1809477003596496,0.4419504298472043,0.005326082648386,13.371039486362736,4.499369902597032,8.279613474197498,0.8952684600530304,3.641234044117941,7.849080653034849,0.568244261581833,8.18718813677261,0.5908917322959418,23.88861283640804,-3.641234044117941,-7.849080653034849,-0.568244261581833,-8.18718813677261,-0.5908917322959418,-21.57092809013861,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.365060248136512,12.097198890955816,12.820466785952767,13.52503012351373,14.203304728561072,14.849982538972998,15.461773910016282,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_113,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1264918940901841,0.8450029324406747,2.462237065304686,4.627724146529462,6.537357813651265,7.743658683918303,8.363425332209832,8.650157763940683,8.75725108254221,3.884243522781673,0.6140202130941481,0.0055883742395939,15.53402456671661,7.435217191194055,8.84070515111838,2.1785394073267472,2.426924860517677,5.229740286670314,0.3770173501867779,5.4430636620119,0.3974567462614281,15.904797804456166,-2.426924860517677,-5.229740286670314,-0.3770173501867779,-5.4430636620119,-0.3974567462614281,-14.25659021048607,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,9.55856082850694,10.25413860429264,10.953064946015967,11.649036796685092,12.334898458756308,13.003918112386724,13.650479321345747,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_114,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0962015377417447,0.5674016273071916,1.7594633508937083,3.8888883274542208,6.085510945349852,7.550729322626265,8.317042512153911,8.673815962833624,8.807378890291323,3.100753934260756,0.4195012849215849,0.0047983394923565,13.638515060393066,4.386339477503758,8.297732686217735,0.7258738167412444,3.0195657389566146,6.534101975507146,0.4957651458306375,6.985686905601714,0.4384804058444025,20.055480153089448,-3.0195657389566146,-6.534101975507146,-0.4957651458306375,-6.985686905601714,-0.4384804058444025,-19.605731513361548,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.343765093724384,12.145174849249845,12.931966712023636,13.69302343425668,14.419921274939844,15.107087285139526,15.75146319509366,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_115,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0967932113357477,0.6100065958174857,1.8751721620767448,3.902737755234676,5.918553601607653,7.261138005752543,7.965842409495256,8.294733648975727,8.418000598772604,3.1687933418963383,0.4446908721347392,0.0047528230986434,11.625622160457771,4.6822299773653056,6.681443845235247,0.9905865496099656,4.445540505797342,9.69505391025089,0.5164127235575805,4.1779906696997005,0.4811509378063031,18.908330202914392,1.524329556103187,3.450694227160317,0.1119946513793173,-4.1779906696997005,-0.4811509378063031,2.7316073157838696,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1544,10.722237647899986,11.510575342431062,12.291476078077991,13.053212680003892,13.78648317066883,14.48471304077176,15.14383615577778,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_116,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1014247464750819,0.5995627352922648,1.7789697881436448,3.483285336898033,5.022406969711217,6.002324488732297,6.5075307923277474,6.7416296040964125,6.82912209700636,2.890524035800584,0.4417527471584937,0.005299322119281,10.465323846065557,3.524681609669378,6.645034768704826,0.7537299854472479,3.9324360496499726,8.482658829939396,0.6194185095604546,8.887784126133608,0.626114794251532,25.85636534385441,-3.9324360496499726,-8.482658829939396,-0.6194185095604546,-8.887784126133608,-0.626114794251532,-23.697115420981955,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.343622343545077,12.087288379941151,12.820225012132571,13.53267552243017,14.217226177338606,14.868779647149449,15.484263038481478,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_117,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1287772550855228,0.8502464345138363,2.4198739672267853,4.35059949969313,5.937070038525452,6.909286835306598,7.403469948105426,7.631214777949257,7.716153780807812,3.707819222464143,0.6192692405780923,0.0058157238395991,12.83918860520473,6.512813656531715,7.445324537426119,2.140615446702092,2.311070949394236,4.980092069448608,0.3590230889531407,5.183255661019361,0.3784762784015797,15.14558563650258,-2.311070949394236,-4.980092069448608,-0.3590230889531407,-5.183255661019361,-0.3784762784015797,-13.576261479748672,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,9.487446416991355,10.175470536133272,10.868183978162593,11.559150652519952,12.241183451268238,12.907511331482594,13.5524418409679,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_118,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0988755531109679,0.5691969102866896,1.682129981512356,3.530158797303488,5.344660001236792,6.524673676134951,7.134912846882652,7.417661061410839,7.523306022092289,2.8598086096890656,0.4236606656571555,0.0050655187828678,11.359462251009962,3.470380471884849,7.189735357341244,0.6426848087577723,3.11653666988628,6.7415936726188885,0.509392701636625,7.191678282979279,0.4573782948073646,20.676610365797647,-3.11653666988628,-6.7415936726188885,-0.509392701636625,-7.191678282979279,-0.4573782948073646,-20.07480576513235,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.281035673403675,12.073524846793,12.853386808826173,13.609290367305263,14.332612496058418,15.017577114444649,15.66092014882198,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_119,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0974062915183967,0.6045288236471408,1.8140624035709365,3.706314778582516,5.555307168620525,6.77251091073311,7.407519503867971,7.703048370688642,7.81368023550964,3.025616661766999,0.4426263772071524,0.004830122342412,10.484386273672456,4.1221659688177,6.115695183146263,0.8856040170798739,3.550252163861208,7.73850258193505,0.3947707534443868,2.9859796175294253,0.3921224624102503,14.5199796755395,1.5016287578424108,3.385818974197188,0.1370061856823099,-2.9859796175294253,-0.3921224624102503,4.20939696505643,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1544,10.698819510952667,11.462264172379342,12.2235940899028,12.970512701458782,13.693024922058544,14.383855230450994,15.038290143527783,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_120,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0989166145773127,0.5933594790383236,1.852320776445728,3.917535867007902,5.9219895881528135,7.227450973054496,7.904436640227139,8.218622399616153,8.336100498366664,3.173794104150516,0.435560004761411,0.0050524497219258,13.377277037929533,4.478685518869293,8.284648165975662,0.8845503575310538,3.635660930455124,7.836691193527207,0.567006899310472,8.1717161249389,0.5907593673710194,23.84837364538033,-3.635660930455124,-7.836691193527207,-0.567006899310472,-8.1717161249389,-0.5907593673710194,-21.51217829945742,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.504587779080763,12.25327677057203,12.988674196283714,13.701387560702534,14.384402120898512,15.033007146074802,15.64447849959927,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_121,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1243066058075765,0.8395234407622486,2.453172002013017,4.612895948764471,6.516357817726711,7.718406573491039,8.33593724076284,8.621630127899229,8.728334835325493,3.871549295539289,0.6091691830518823,0.0053639869848268,15.481394030346562,7.384170673960065,8.810990259592836,2.157415611005096,2.468358918459291,5.319935725744528,0.3843436627359119,5.543108220346588,0.4023741782996377,16.185231219655574,-2.468358918459291,-5.319935725744528,-0.3843436627359119,-5.543108220346588,-0.4023741782996377,-14.562261799217374,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,9.805458866598755,10.494356298735626,11.185850447749466,11.87386350888488,12.55140537998631,13.211880643341964,13.849792791227856,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_122,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0951249288807142,0.56468068314088,1.7537927783011666,3.8722296998489054,6.059984408865567,7.521452433197266,8.286422153930255,8.642702059210391,8.77610078868982,3.0881598251823728,0.4170158957822042,0.0046945361976062,13.543440063141343,4.353458560067321,8.246348638038949,0.7211574243109692,3.03597152759042,6.569829683397338,0.4986805451199296,7.0254158885498565,0.4403969037674536,20.166663089151395,-3.03597152759042,-6.569829683397338,-0.4986805451199296,-7.0254158885498565,-0.4403969037674536,-19.72778052044297,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.533884065774398,12.349016606686805,13.144986234431862,13.911018255468036,14.63930921495719,15.324988127224469,15.965669630768817,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_123,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0980059445629795,0.6086632047090186,1.866336040479107,3.8910579824276974,5.908159901907446,7.252928518021359,7.959117866996181,8.288774114583052,8.412339067929528,3.157465545907116,0.4447304454871247,0.0048867912250742,11.612493977623329,4.63985209259902,6.683383712202945,0.96769237535987,4.322889538878753,9.423163658532538,0.5065873895265651,4.231897599047224,0.4772253875243808,18.68891741014589,1.3006911800381722,2.9600498779023026,0.0853684756225848,-4.231897599047224,-0.4772253875243808,1.8401608539866767,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1544,10.805793650499457,11.555820568505258,12.303461216882896,13.037156922567757,13.747410368554812,14.427219070542268,15.071971389227729,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_124,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.097630012158898,0.5912070973072104,1.776102450779404,3.4980398912582844,5.059495543933606,6.05540675840495,6.569156832979959,6.807260093624406,6.896255111176133,2.8981156244157176,0.4337539921256317,0.0049207858838554,10.51132779563659,3.553884330510104,6.677818985497332,0.7660706176191894,3.91506663232252,8.444737966452205,0.6162393604916633,8.844981516255825,0.624279992805542,25.737726766529228,-3.91506663232252,-8.444737966452205,-0.6162393604916633,-8.844981516255825,-0.624279992805542,-23.561422072803826,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.457173385921845,12.21497837699633,12.958384926042015,13.678207532467336,14.367508289245556,15.02161423291397,15.637838302605664,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_125,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1242920872356899,0.8383233444475596,2.4068379018320294,4.355785711121756,5.969514189787794,6.961027834960659,7.4653192049009744,7.697748913844528,7.784436857549994,3.704653315544869,0.6087671589761076,0.005368209828508,12.956635351124032,6.503589746152625,7.514256349051013,2.1078703849293663,2.367018472908545,5.101220160631812,0.36826947544522,5.313174276470307,0.3864731532902253,15.517787118994928,-2.367018472908545,-5.101220160631812,-0.36826947544522,-5.313174276470307,-0.3864731532902253,-13.943770916622675,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,9.780618290972257,10.47672994527692,11.172457539821483,11.86257824058574,12.540833157654902,13.201182179259805,13.83851949490168,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_126,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0956574085969538,0.5636254640797843,1.7006764796536562,3.592153531965029,5.432301535915465,6.621516676316969,7.23466361336674,7.518381829188822,7.624331392464742,2.908038668683311,0.4174411211676488,0.0047437969366929,11.546462840204596,3.641731414515992,7.2607280414538415,0.6892851437664019,3.166550966884265,6.851514918931351,0.5192608129281149,7.320637470309185,0.4611622666242485,21.02536296370248,-3.166550966884265,-6.851514918931351,-0.5192608129281149,-7.320637470309185,-0.4611622666242485,-20.51550207054672,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1544,11.461672399055686,12.272180505500677,13.065541290301269,13.830693135196698,14.559467327357384,15.246640529588271,15.889525544480726,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM1544_127,RSM1544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.097550879160446,0.6014984888239863,1.8090471193504127,3.710509063945308,5.563419116392977,6.779222412386704,7.412393840071678,7.706833964221263,7.817021984105983,3.0266150409632413,0.4408908687487906,0.0048485693898231,10.539510269004378,4.132726840471001,6.133608439473164,0.8725555855845406,3.5515286037195506,7.735768886103971,0.4003549912957861,3.196635563325271,0.4039621560312069,14.899850773660232,1.2768232851697925,2.896338210365451,0.1078925759557236,-3.196635563325271,-0.4039621560312069,3.201354160057733,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1544,10.897204984046976,11.635888238682895,12.373819552907888,13.099210980698675,13.802351158237526,14.476051639714552,15.115543535024608,"C(Cn1nncn1)Cn1nncn1.[Fe]pcu,.cat0","linker C(Cn1nncn1)Cn1nncn1, nodes [Fe], topology pcu,"
RSM0143_0,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0042573459571507,0.1971609262717444,1.242609598935467,3.308154982592841,5.440846231427448,6.864165127855199,7.609686349516682,7.957126824494322,8.08725781918986,2.542025596259037,0.1082380755558945,4.971378372674486e-06,9.5538083949688,3.372143072636056,5.5280286853721785,0.4604132424221608,22.698286252271988,50.85911854400059,2.089015011078577,4.551341977109019,1.6327840027014393,58.69518454848826,-22.698286252271988,-50.85911854400059,-2.089015011078577,2.51781409919978,1.6327840027014393,-58.69518454848826,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0143,20.188798689594204,20.622979516909066,20.966540170030783,21.24253024791358,21.46725350047103,21.652460668488864,21.806769271555588,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_1,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0042601451634638,0.1965500227787915,1.2593843838392826,3.443123505107245,5.749893262675867,7.299908827659904,8.112959314739967,8.49196134641813,8.633916997548491,2.624335326985346,0.10787731729269,4.865669843270626e-06,10.715336780317594,3.707160449923498,6.1244019521363375,0.4770975139212698,22.607111268130687,50.6680023400391,2.0741429756565006,4.489786090346267,1.634411849834108,58.095556256015584,-22.607111268130687,-50.6680023400391,-2.0741429756565006,2.642689728521424,1.634411849834108,-58.095556256015584,-15.0,-34.406237999999995,-1.0,4.0,1.79,-15.0,-29.0,-64.37205999999999,-3.0,-11.0,0.54,-91.0,RSM0143,20.27147864573809,20.69148067920297,21.02420105596736,21.29173000553317,21.50972977387892,21.689509576947344,21.83937559933701,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_2,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0042589949711379,0.1971718731717937,1.242584446028447,3.308181140510376,5.441023851738638,6.864459054542715,7.610041773653909,7.957510728072349,8.087652342054563,2.54201528913325,0.1082485524466452,4.979067218838118e-06,9.5538468608947,3.372048450432134,5.52809959844031,0.4603950023567278,22.6989576075012,50.86058540077246,2.08910023209967,4.5518404358135856,1.6327361816543993,58.69809588851874,-22.6989576075012,-50.86058540077246,-2.08910023209967,2.516949863394045,1.6327361816543993,-58.69809588851874,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0143,20.19133374699864,20.62509856544597,20.968335717514886,21.24406988064823,21.468587538314967,21.653627241873167,21.807797744696384,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_3,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0042601328353814,0.1965779588667828,1.2595842999966351,3.443570383636636,5.750492804019243,7.3005748153086865,8.113651798780618,8.492664497692504,8.634623886306088,2.624705124559752,0.1078911696303784,4.863693260564124e-06,10.717287293184691,3.708045464729716,6.125418547579391,0.4772109697276889,22.607768218963898,50.6694138944478,2.074241504313351,4.490431508531082,1.6343362162987425,58.09924554000695,-22.607768218963898,-50.6694138944478,-2.074241504313351,2.641449967574416,1.6343362162987425,-58.09924554000695,-15.0,-34.406237999999995,-1.0,4.0,1.79,-15.0,-29.0,-64.37205999999999,-3.0,-11.0,0.54,-91.0,RSM0143,20.25794742024536,20.67999185480594,21.014341951869703,21.28318776259028,21.502264228968208,21.68293404266084,21.83354318839996,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_4,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0033874996954982,0.1965377173659609,1.365374530328788,3.668735827965544,5.943502726529161,7.410946770110759,8.165988922397036,8.514980450985263,8.64524189609395,2.825694363880617,0.1039108609900565,2.804911790146887e-06,11.473556806885316,4.198251158752433,6.246720939246234,0.4958556327600544,22.25880969919784,49.92625677918456,2.0413228732418425,4.32732312956172,1.7225067289771283,57.499588787080846,-22.25880969919784,-49.92625677918456,-2.0413228732418425,3.2507426440183664,1.7225067289771283,-57.499588787080846,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0143,20.288718272325635,20.70537557244502,21.03569397028305,21.301436734601047,21.518066108549338,21.69676584782959,21.845761124534448,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_5,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.059241304666819,0.5690957161640902,1.8118526389948544,3.81881132863679,5.873218847839715,7.25436006069435,7.980574905528302,8.319566828709158,8.446615164242727,3.083013130825595,0.3989146135317746,0.0010984397188485,10.722118814358074,5.07439565412768,5.739958869868063,0.9793528413873588,7.932598481876361,16.933908694201534,1.0573601081869557,1.7689653764843325,0.9757235357423776,40.51520295408243,-7.58333893106776,-16.132794878941944,-1.034076138133049,-0.3449114072641961,0.9631501919132678,-40.16594340327383,15.0,34.406237999999995,1.0,1.0,1.25,15.0,-14.0,-29.965822,-2.0,-14.0,-0.54,-76.0,RSM0143,11.215987933246623,12.195369466685946,13.107781530587896,13.952467691382862,14.73020819967154,15.443179754712384,16.094626113609962,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_6,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0592500018427703,0.5691316148927733,1.811858122206074,3.8187719832949454,5.8731953123499165,7.254371392809055,7.980610427282255,8.319614833395553,8.446668030093447,3.08298235506002,0.3989461863579676,0.0010987503990114,10.721620207399322,5.074289609487859,5.7397445266636815,0.9793900630574784,7.932303496293138,16.9332380415757,1.057337239928109,1.7686342844372367,0.9757637546696044,40.51484047110469,-7.583551015715796,-16.133287318253405,-1.0340870745562858,-0.3445010849743639,0.96320866536882,-40.16608799052733,15.0,34.406237999999995,1.0,1.0,1.25,15.0,-14.0,-29.965822,-2.0,-14.0,-0.54,-76.0,RSM0143,11.215383838609798,12.194515193639322,13.106775088421262,13.951377328968151,14.729080884162256,15.442047325029847,16.09350972203988,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_7,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405123134731551,0.4762540427585834,1.2902971905383347,2.89728864073821,4.667546823027704,5.891674151182408,6.543107493993267,6.8487691190574,6.963568293376438,2.286680091147199,0.3797309422150981,0.0201076067835969,8.639922858194707,2.1621204166155845,5.640659577764184,0.2495695285471383,5.407921664568428,11.70839587823694,0.8668533761235685,11.812519430991578,0.697207077836912,33.926951359663946,5.407921664568428,11.70839587823694,0.8668533761235685,11.812519430991578,0.6875524094476814,33.926951359663946,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0143,3.4097776247036258,4.060614709033409,4.734319728492429,5.41403331877285,6.086369616321402,6.741568995965192,7.373136568850216,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_8,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417403672577084,0.5028352241303451,1.574408318008938,3.759315651438994,6.10361199999156,7.695153937142877,8.534639044540697,8.926994340342741,9.074115670552809,2.93540902238904,0.3921949648532166,0.0204130640021299,12.885957879770611,4.08857473862493,7.77639598913356,0.5932932459105371,6.676445874874616,14.591968830746188,0.979699506426954,11.11525935206228,0.5903069126763091,37.26579990128821,6.676445874874616,14.591968830746188,0.979699506426954,11.11525935206228,0.5048623293307319,37.26579990128821,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0143,3.097898039599335,3.747216617345538,4.423923646468755,5.110102975696474,5.791398183278797,6.457227590719531,7.100438086501771,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_9,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1396106132564625,0.4814198866455062,1.3693206745805917,3.137851286100444,5.056540813740736,6.368451284476556,7.06251644976377,7.387298454812582,7.50913966454195,2.4688788253758456,0.3811385033782858,0.0198448320048062,9.808999035757417,2.6063709592094177,6.225643909376001,0.2981670857867922,6.284205459354381,13.632221545916282,0.9312965615190978,12.03719278363469,0.7783046103791114,34.820494256343146,6.284205459354381,13.632221545916282,0.9312965615190978,12.03719278363469,0.7338492845538799,34.820494256343146,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0143,3.209432474562231,3.866945881540261,4.551119280817826,5.243567607586857,5.929727624821251,6.599014709454295,7.244405102689559,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_10,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2034833964097858,0.5302854213781331,1.367573049238347,3.179253150921943,5.153757716555119,6.496991432059772,7.205805950836672,7.537148760315693,7.661402240374259,2.4893302108754867,0.442572668475467,0.0423461744354637,9.317938845663328,3.2268201149668663,5.130335757087123,0.4161464934672817,7.105685345337183,15.345607290119975,0.9903814167460262,12.858533214291604,0.9590529928187782,35.06941189352985,7.105685345337183,15.345607290119975,0.9903814167460262,12.858533214291604,0.9096050654950308,35.06941189352985,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0143,4.704069562364985,5.652807286523809,6.563451414153654,7.418586492342676,8.209651852601525,8.9341019074657,9.593175947119528,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_11,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405026563877914,0.4762506551197701,1.2903583724204513,2.897374997366217,4.667529082791873,5.891538235043624,6.542898523064908,6.8485239335844135,6.963309219732037,2.286774354210724,0.3797226079000229,0.0201048077612252,8.639568557443358,2.162234764699804,5.640451201022299,0.2497278659905985,5.408797662805911,11.710401217390595,0.8668941175489893,11.811313002366424,0.6971332641166514,33.926969601280334,5.408797662805911,11.710401217390595,0.8668941175489893,11.811313002366424,0.6874098535125993,33.926969601280334,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0143,3.409741369709852,4.060604836074929,4.734332536458404,5.41406453041144,6.086415069020246,6.741624976423164,7.3731999356941404,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_12,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417244230353238,0.5027733005561027,1.5741012714207134,3.758699815470619,6.102805935296398,7.694255216711131,8.533698617223108,8.926035741573076,9.073150452214389,2.9348869828542425,0.3921541464804977,0.0204085997031573,12.88343051470699,4.086944398037547,7.7750695352105055,0.5928065106813935,6.678104609788942,14.595591400338906,0.9798566837990238,11.115636544100774,0.590347436866473,37.26991666671786,6.678104609788942,14.595591400338906,0.9798566837990238,11.115636544100774,0.5048530877071965,37.26991666671786,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0143,3.098583159034925,3.747892353542725,4.424583295992748,5.11074118146775,5.792011131087175,6.457812892588779,7.100994536899142,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_13,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1395942364821956,0.4814363723383766,1.3695888276210182,3.13843022999088,5.057264771212459,6.369217509977905,7.06329344544135,7.38807835402272,7.509920340805893,2.4693685748805034,0.3811350060793572,0.0198400704448558,9.810926842033336,2.6076188501535698,6.2264002552609945,0.2984411515588845,6.285924115611597,13.636033298105223,0.9314573477724604,12.037533719094752,0.7783410621683771,34.824805162350195,6.285924115611597,13.636033298105223,0.9314573477724604,12.037533719094752,0.7338159646310869,34.824805162350195,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0143,3.208561918879976,3.8660537511385433,4.5502204802509,5.242674206118499,5.928848868013076,6.598157346801151,7.243573816698223,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_14,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2035098802613466,0.5302998471485678,1.36754065725784,3.1791523491559333,5.153416757280712,6.496391317823331,7.205042329063634,7.536302961321851,7.660524725482063,2.489269769657731,0.4425955520010012,0.0423571159584269,9.317064504373386,3.226672981545303,5.129899931177471,0.4162776374310217,7.105249926117801,15.344569682347748,0.9903275309066096,12.858885851502585,0.9591565901638256,35.06702190700865,7.105249926117801,15.344569682347748,0.9903275309066096,12.858885851502585,0.9097447180080674,35.06702190700865,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0143,4.706615163392595,5.655436463965035,6.566091294945449,7.42118429693155,8.212171899175383,8.936521818612913,9.59548313819712,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_15,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.215095921117923,0.8823010521111228,2.0645376367845967,3.8848464022181424,5.748598501778959,7.009580297926443,7.67551903039101,7.987062470301264,8.103935785835006,3.219245037154791,0.6974290964071447,0.0230975746055146,11.166176549130872,5.195516461586085,6.657877884360508,1.5590724050448497,2.229739594363846,4.905935107829141,0.3762773799583155,4.455118082122168,0.1621722287014788,16.319723915260933,-1.119960230530782,-2.465253541242383,-0.2936625850206101,-4.336716257541569,-0.1094834167631123,-14.419583631693708,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0143,9.328477520096213,10.119674395683012,10.88622558726151,11.624331346497035,12.330744850420077,13.00312613462672,13.640099097831284,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_16,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.081485627657699,0.6139067356095448,2.002223653940434,4.145013526591998,6.243938317687974,7.645923104119343,8.384355342653649,8.729625757538214,8.859136384809105,3.377435859603837,0.4353243160595522,0.0030854503427695,12.926278486592963,5.452670182341825,7.721690770334584,1.4251828130379918,3.152997400418953,6.7571280690266,0.3706220043508791,2.3846768994051675,0.2475572923824261,14.377271152637686,1.6823169251227492,3.5208192077525875,0.0764859092916384,-1.54338115415208,-0.0257351834004549,-1.3512363720165863,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0143,7.827679787894244,8.703373569977048,9.55283924404972,10.372968376910752,11.16096633622896,11.914480138003864,12.631754094750692,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_17,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2181136586598436,0.8948352015244051,2.187722520634819,4.3695191018733,6.644734770061236,8.17796426048441,8.984197253606922,9.360502109208849,9.501526318603052,3.560597133429916,0.7058466174564465,0.02355671540322,14.16300108203857,6.45326055323191,8.111110624164638,1.7348409530661153,1.861279179393064,4.069971811796693,0.3376345244728375,4.453912980058587,0.1779964055865911,15.73375920107054,-1.457991120536796,-3.2342550852545617,-0.3262195355131346,-4.187604788718752,-0.0594892604403651,-15.471214454997371,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0143,9.120525834962558,9.924137328530175,10.69921785170812,11.443440435482836,12.154610568476407,12.831092494648525,13.471950128884664,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_18,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1002254414294403,0.7269210890637211,2.1887040261334425,4.170271862523956,5.9921857811333865,7.193011383469168,7.824998958301986,8.12071383941352,8.231689945227357,3.48354562079845,0.5222700926835802,0.0035960476450172,12.035272504789196,5.783652226000709,7.127272598331169,1.7502560444719883,0.6577232966543047,1.4182641422112867,0.1033294396065741,1.484358813506898,0.0989441677488389,5.355205275403007,-0.375571099411437,-0.8555539076399736,-0.1033294396065741,-1.2022066162640304,0.0266135600242371,-5.355205275403007,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0143,7.728476430601467,8.51916992939144,9.295894378350338,10.056123727704268,10.796559685994769,11.513747763879923,12.204556189013063,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_19,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1035112549574166,0.7350043427849509,2.25542135758669,4.474370782815738,6.560503919896855,7.925882605145592,8.638985957158598,8.971263446840931,9.09572979474382,3.692694024167012,0.5294922577125893,0.0038170737728388,13.855047658324626,6.71272028055008,7.929894964013562,1.8490147612262773,0.8350295240769688,1.7639473599680937,0.0604720049156939,0.9186052950782304,0.1946976653658653,4.183986913725853,0.4409411950907084,0.8967354994407203,-0.0183456608815581,-0.1481507043201824,0.148154627521466,-3.2150810009407302,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0143,7.580028008279051,8.376793619776544,9.158698682863015,9.923241886566927,10.667304125992882,11.387650887814656,12.081349026412694,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_20,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1537219705752704,0.7770174846016672,1.964435209183876,3.868380105431733,5.810726991554138,7.111248950822666,7.793877624659505,8.11230938853799,8.231621787515628,3.1702226319535027,0.5985545108099337,0.0093277033639844,11.033975709013506,5.275901459547669,6.132402049573472,1.355671468325909,1.9092466201976857,3.918494878728416,0.1074579546928658,2.7676524444465223,0.6479919353431882,11.692719341595804,0.8354532065778343,1.5555566348004235,-0.1073007280311045,-0.0242104309650922,0.5727697947915646,-11.687845315081203,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0143,6.458538780181258,7.254489705084501,8.048255883003,8.833512109099075,9.604506405034993,10.35612865594245,11.084050406960074,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_21,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2151062787987714,0.8908950015537103,2.1464179813254813,4.121972658365948,6.128051267862369,7.472144532526336,8.177997637570307,8.507329116323515,8.630734679661675,3.4002071922357366,0.7015797793785771,0.0229069556652542,12.552734869470674,5.769284402720251,7.401658191068376,1.681079642699849,2.302467665994203,5.059988234818489,0.3542762472948273,4.002051786367251,0.1802829391724351,15.193985701910847,-0.6431233027511375,-1.4219378626360086,-0.2348419464542408,-3.7759190332112222,-0.0796538640180024,-12.44699678257736,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0143,9.229302996373455,10.022221079660964,10.790341809652102,11.52982761437432,12.237499380717283,12.911113343939684,13.549379835518948,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_22,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1571084716256879,0.7786457909632579,1.89230128205624,3.6173759981946207,5.439169131820179,6.695340331963726,7.364352452207615,7.678447329385245,7.796446055252044,2.9800955225514905,0.6023441478785057,0.0098974121165965,9.56973118174028,4.467306095470541,5.619395190577862,1.2790543327120227,1.6440654968199466,3.381544734370116,0.0996136902525236,2.440975018840136,0.5448334768613944,10.212601289150207,0.64792859429471,1.1894936812444004,-0.0996136902525236,-0.1489809277254793,0.475103893684628,-10.212601289150207,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0143,6.591118073113122,7.387671254972997,8.177130849936916,8.953753721057138,9.712913002196586,10.45070784482242,11.163875876878592,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_23,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2150951170007009,0.8823111665769416,2.0645386097961125,3.884817921212065,5.748548834236269,7.009526062005135,7.675465896637911,7.987010695998675,8.103884660095924,3.219227152838919,0.6974375272263176,0.0230954829844159,11.16586948609412,5.195405409793123,6.6577545144845045,1.5590624703743248,2.230144842027957,4.90683941138933,0.37636804254346,4.456219670330649,0.1621779760484191,16.323476524874017,-1.120446366540861,-2.4663107738091976,-0.2937501991703034,-4.337935315321434,-0.1095414380693183,-14.423266127291416,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0143,9.32814697689934,10.119345804087455,10.88590899338622,11.624031170103544,12.330462483272882,13.002861437568413,13.639851222892188,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_24,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0814859467934842,0.6139083376910317,2.002224269415425,4.145014475944142,6.24397208845451,7.646002420589437,8.384465910264478,8.729752558866108,8.85926953346418,3.3774343912124443,0.4353259828961036,0.003085395557727,12.925816351447242,5.452595438682532,7.721355909477493,1.425171424830986,3.1532869747825925,6.757785854168349,0.370684816502104,2.3850322814172307,0.2475116941619095,14.378894780091777,1.6822341072127045,3.520657524331696,0.0764742429881264,-1.5440123405713768,-0.0258269129520864,-1.3514212663498324,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0143,7.826472793430533,8.702251675194729,9.551807533103684,10.372026641215658,11.160110856181204,11.913705166242291,12.631052922196892,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_25,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.218088946809128,0.8947956627551452,2.187676038263905,4.36938479304605,6.644580048302616,8.177855381462035,8.984130553193934,9.360459089479384,9.501492806054417,3.5604931538984,0.7058066762889608,0.0235515052802274,14.161971250653586,6.452892920765785,8.11054052291616,1.7347536245221924,1.8602417106563625,4.067675367467406,0.3375810194608839,4.454348137346221,0.1779366595988924,15.73320375550785,-1.4594938897434178,-3.237575447463529,-0.326366100619072,-4.188179342535018,-0.0594915459079072,-15.475260622146177,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0143,9.119857874508972,9.923431413219564,10.698497527836516,11.442721484158612,12.15390328547637,12.83040341227026,13.471283231835306,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_26,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1002181609645421,0.7268989478745173,2.188681755266205,4.170215844618533,5.992069181734939,7.192848142878807,7.824810092974257,8.120512807778649,8.231484323281549,3.483506434041649,0.5222496253361473,0.0035958015670682,12.034992214701507,5.783523315196023,7.127016058830207,1.75020318170163,0.6584597324411978,1.419895092501482,0.1034867994562408,1.4863541280911243,0.0989768319558814,5.362034651330806,-0.3764082621212105,-0.8573857426688151,-0.1034867994562408,-1.204302657771137,0.0265360723365129,-5.362034651330806,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0143,7.728251335996882,8.518974322468123,9.295730005543648,10.0559894302352,10.796452644509523,11.513664433037716,12.2044928991822,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_27,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1035197277874237,0.7350296695723325,2.25549694326555,4.474612849635837,6.560960522604369,7.926490921486877,8.639674686749078,8.971989728680333,9.096470145212802,3.692867097696247,0.5295136526534606,0.0038177620302026,13.856614417084838,6.713442060007087,7.93062737373917,1.8491352715019245,0.8355268835567179,1.7650743700560343,0.0605495120457487,0.9191135581666614,0.1946770014340932,4.186196393430426,0.4409840903392548,0.8968624373557597,-0.0183590465977438,-0.1488881696467471,0.1480732964572687,-3.2158156881263134,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0143,7.579427042074039,8.37624520685874,9.158184146408216,9.922751104866244,10.666831732246854,11.387194128481529,12.080906564072317,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_28,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1537369477446333,0.7770515418157661,1.9645089677746013,3.8685787003720713,5.811091414829741,7.111735851952684,7.794431149917792,8.11289441838494,8.232218683414683,3.170369509945482,0.5985850402184242,0.0093295108223127,11.035235242861438,5.2764710010779305,6.133042801224284,1.355813572627009,1.909117460862384,3.918210403167772,0.1074318917665844,2.767300274593267,0.6479817225769666,11.6915214587898,0.8355937434476596,1.555865639763366,-0.1072728517163603,-0.0238613906850158,0.5727778079398554,-11.68659121723285,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0143,6.457331404290703,7.253343703496207,8.047125895990664,8.832373789019975,9.603349302580606,10.354951060784757,11.082855706940403,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_29,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2151022747139705,0.8909150535090717,2.146553642909572,4.1223494454083855,6.128601297173948,7.472767382656782,8.178646791851401,8.507987993719738,8.631396801878081,3.4005013984319423,0.7015916080934275,0.022903220996903,12.554711138615096,5.770260974093412,7.40251293723235,1.681267757992787,2.302584442676083,5.060264945725248,0.3543264600017392,4.002658038290685,0.1802546842526525,15.195837160217264,-0.6435548497627233,-1.4228677665295528,-0.2349013984860221,-3.7767291835659296,-0.0797163439001363,-12.449060745355771,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0143,9.228607049567126,10.021582456843696,10.789752975167362,11.52928292071074,12.236994262548306,12.9106439404864,13.548942802939113,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_30,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.15708918212301,0.7785849793090504,1.8921871757853497,3.617202507506768,5.438970804666421,6.6951408083089685,7.364156322084749,7.678253628883117,7.796253396830625,2.9799393223197264,0.6022926031780921,0.009895673818782,9.569170768507451,4.466904971341861,5.618980120812722,1.2789070183426694,1.6439764933067564,3.381319953674271,0.0995678356640016,2.4405191786187688,0.5448798476515037,10.211239179813814,0.6482981366667403,1.1902779546133708,-0.0995678356640016,-0.1482445486452725,0.4751823626867025,-10.211239179813814,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0143,6.590691631978822,7.387311203721641,8.176848391836955,8.95354932208615,9.71278160231331,10.450641821589496,11.163866717534042,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_31,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2060639469022253,0.6121786795706452,1.650947847021677,3.693419665234994,5.8457015443342,7.280547528352042,8.029281372149608,8.377411456231984,8.507661437023977,2.9265691837348067,0.493149483510317,0.0423491117647004,10.445640798047537,4.728113939746193,5.342214296951872,0.8747800866383094,13.941176443031196,31.05895425683248,1.3849506053203091,6.9341403961461,1.351122004666085,41.05882663684185,9.453575107177658,21.44815047406445,0.7438743222498052,-6.9341403961461,-1.351122004666085,18.62115672937421,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,16.136970949152428,17.169047947757942,18.0241737994932,18.737339030571167,19.336287735100694,19.842861033911028,20.274249243267924,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_32,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0183828786629202,0.2451774034952699,1.23476231265628,3.288732454599553,5.4321751382578425,6.853141671258596,7.5931630916496,7.936995812403482,8.065603823590925,2.5195573083530824,0.156044431578375,0.0003106897058128,10.157297915507009,3.225208604429069,5.875471710045394,0.4523563313381373,8.442570693580542,18.701130770867607,0.8665239333874566,3.380642997271023,0.9325579848213446,27.96996843359452,6.378268318378314,14.314175496335809,0.6046313886524523,-3.380642997271023,-0.9325579848213446,18.803729367869373,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,14.641361108579163,15.584297367500865,16.41946395981907,17.1599898238979,17.81719245319615,18.40102191705856,18.92029313626085,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_33,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0605347603007648,0.3808975430362952,1.4431141691143408,3.4073345617584123,5.40674329392861,6.739081453736593,7.437413874289116,7.763045369123192,7.8850417984006596,2.684804131163214,0.2698377139777067,0.003676553586961,10.0776519442593,3.5007445021106416,5.921045962557511,0.6467235326145423,8.727605920700126,19.291474816395127,0.8312942776000392,5.205905091918178,1.0554815319661883,27.51258199457835,4.431830345782193,10.244260591061872,0.3657951966059932,-5.205905091918178,-1.0554815319661883,11.220114159786748,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,14.499184215803252,15.34527990333054,16.10149788810745,16.779424819327257,17.388671440695937,17.937343311764945,18.43237472063664,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_34,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0696454310921483,0.3725660405663482,1.3540646292020204,3.287744333702273,5.282254328102051,6.604782618211029,7.294706514133572,7.6156076593325475,7.7356985052410305,2.5688812659128577,0.2724113513044131,0.0049677682804018,10.248180360834564,3.318801790495146,5.998610312385099,0.4645230879836647,6.566303726591547,14.458293186104225,0.6459196288324112,4.852091959200519,0.8507097545161779,21.90196818899547,2.3392558944147464,5.530883060307748,0.1636767003499792,-4.852091959200519,-0.8507097545161779,5.023465692110352,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,14.79396536983312,15.601275755597262,16.31146419519856,16.94162994836875,17.5047876898255,18.010994451006827,18.46815562987052,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_35,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0657182481691433,0.3807261269185665,1.3447156933243665,3.2111514573551854,5.196625417204268,6.54588249777848,7.258545054892637,7.591877143189619,7.716908203720424,2.511696960458068,0.2762012785628587,0.0042751416929288,9.312555512348412,2.939614485413266,5.81573086600051,0.4977969461078158,6.911084571313446,15.095270464340071,0.677668639538861,6.274180891516162,1.047522335585597,24.93349194510131,0.9290072824736022,2.502385889983409,0.0350669835326886,-6.274180891516162,-1.047522335585597,2.442433984885271,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,14.6571057057874,15.444718311747458,16.153786146286635,16.793344524047352,17.37134982488047,17.89472643792429,18.36948386756474,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_36,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0708091384886065,0.3865684186944039,1.3282335581695273,3.11612009540893,5.024188137795992,6.330507682388012,7.0235363861723314,7.348361537762264,7.470308895676267,2.447042187846345,0.2828318554251226,0.0050302179211393,8.757687734395091,2.7493854806533458,5.434757401670192,0.554352248557338,5.538968854459036,12.087035829354432,0.5449472770999908,5.172676614478395,0.8523311885742176,20.1890500174084,0.5768635013746376,1.6403946811219403,0.0110374825212523,-5.172676614478395,-0.8523311885742176,1.5022072071525536,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,14.605239285324792,15.386898734727488,16.083394639681988,16.707584541726085,17.26981493118772,17.778426911116867,18.24019470762676,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_37,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0202354378071675,0.2393721888579686,1.076840774940401,2.769426454081973,4.623297493854398,5.904158665046989,6.5859507209721215,6.905930662454933,7.02612132984963,2.128127602501263,0.15644732154054,0.0003813157585137,8.09859786798763,2.4240888912521643,4.757087766678676,0.2445222949859531,6.686453415553258,14.585326955757145,0.7688981148112973,6.458841643218361,0.9676295722583824,27.01018924198804,1.0275710861662586,2.5355692973012376,0.0279104572299499,-6.458841643218361,-0.9676295722583824,1.075621226640879,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,14.452190873436994,15.362311801090623,16.175606421397106,16.902890609511598,17.553541262834372,18.13589501613549,18.65745051201961,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_38,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0202124005588232,0.2501332600089066,1.353275150035271,3.7362847002138735,6.200871011033057,7.816090531082841,8.651907850757599,9.039088698815297,9.183728411867255,2.844054952631167,0.1590643145413795,0.0003900244089911,12.791110454079073,4.201093363586936,7.281035688515084,0.5122810479734722,8.285470726193946,18.15079948515536,0.9006751792847199,5.897705144719869,1.1344379952113175,31.57053799925972,3.344721507666756,7.672939634116528,0.2951750899847822,-5.897705144719869,-1.1344379952113175,10.378034873761903,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,13.744383642505342,14.736844262650015,15.619380617248446,16.405218787694054,17.105767076353416,17.730985398420522,18.289646554829428,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_39,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2060890779796874,0.612178864239546,1.6509086628054683,3.693361440460956,5.845611989470812,7.280438320161698,8.029164052101198,8.377291030490547,8.507539968490882,2.926519470678256,0.4931603905176729,0.042360050257755,10.445099755245831,4.728017031734933,5.34194952823337,0.8748622659273254,13.93939425246203,31.05495659649869,1.3847871799596758,6.933784619620366,1.3509746578863728,41.054218778630855,9.451825082626048,21.44422185057858,0.7437156364657054,-6.933784619620366,-1.3509746578863728,18.616714756341896,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,16.141643362422883,17.173245135191756,18.02794392991076,18.740730474633352,19.33934558685835,19.845625804264618,20.27675661075348,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_40,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0183843866080896,0.2452310558734727,1.234961091223047,3.289019916202737,5.432465928888368,6.853417255595084,7.593428445757039,7.937256136123766,8.065862236689423,2.519827507179253,0.1560767263652692,0.0003106798962233,10.158203437024111,3.226002369773042,5.875674546790755,0.4524698853328243,8.442762271108657,18.70160600238122,0.8665652526906948,3.380929395909853,0.9325035590041142,27.97002672138256,6.378458399142749,14.314584366311788,0.604611237681896,-3.380929395909853,-0.9325035590041142,18.8016361960746,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,14.63020112335475,15.574535249396344,16.410905431188564,17.15245909743708,17.810537078714496,18.39511249274941,18.91502098555351,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_41,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0605496487627922,0.3808654694945008,1.4429677537375722,3.407127633325524,5.406521261264546,6.7388727796258046,7.437219794280035,7.762859850249253,7.884859770732583,2.684612678943242,0.2698281134034763,0.0036786926950123,10.076973896538217,3.500128539224472,5.920907399901776,0.646594968100382,8.724335726514719,19.28414510327433,0.8309887988944055,5.205230918787702,1.0552075928472604,27.503891268608243,4.428628579542632,10.237081504015224,0.3655034489023385,-5.205230918787702,-1.0552075928472604,11.211904018885896,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,14.467530676599058,15.316945679418463,16.076003240988374,16.756375730666363,17.36774238298223,17.918263523607866,18.414917381305152,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_42,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0696444875263953,0.3726312067649855,1.3543355340105503,3.2881304408336134,5.282669344071118,6.605206994787947,7.295135266502418,7.616038479181801,7.736130111624427,2.569243417174772,0.2724467322953297,0.0049674429855527,10.24981596009537,3.3198641088833765,5.999222154019805,0.4647659052319915,6.566860532611922,14.459573475805996,0.6459706053842053,4.851898519982153,0.8507171949539938,21.90291295106007,2.3401977512395526,5.532966628355644,0.1637619658750196,-4.851898519982153,-0.8507171949539938,5.025610568238575,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,14.771013004099611,15.581160640565756,16.29377870046836,16.92602447536584,17.490965073572053,17.998703158840144,18.457183095181545,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_43,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0657246154703206,0.3806737263817479,1.3444369766121325,3.2105998226572976,5.195920313544076,6.545116180130715,7.257755578085976,7.591078565079521,7.716106467567127,2.5112276360119576,0.2761746049942091,0.004276438486067,9.311003264269829,2.938407587587687,5.815028574526897,0.4974019639239527,6.910566447560014,15.094105693717776,0.6775688302335,6.273146199216221,1.0475141511999198,24.931349059228403,0.9291605868317196,2.502731796940605,0.0351336274384758,-6.273146199216221,-1.0475141511999198,2.446116961402554,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,14.643432558191748,15.4323059618228,16.142502428222546,16.78306744117984,17.3619692062346,17.886144111120352,18.361613037162947,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_44,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707913477313517,0.3865214055986089,1.328145800157989,3.116089738351324,5.024343787289893,6.330829297850799,7.02395419148129,7.348825965635163,7.470791054666439,2.4469722080956857,0.2827917121493086,0.0050277747446456,8.757745765609556,2.74926248355792,5.434830655569782,0.5542322195831066,5.540329455351245,12.089985458040596,0.5450636311777323,5.173820993581984,0.852575110274166,20.194031229570328,0.5769873238372648,1.6407769486137742,0.0110560760212231,-5.173820993581984,-0.852575110274166,1.503766799092506,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,14.646254372216005,15.423089119905711,16.115505494752846,16.736229497183167,17.295499323162726,17.80156797857495,18.26113838057077,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_45,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.020236183068793,0.2393470316129219,1.076797120454164,2.769649104527334,4.623938128301567,5.905101632119925,6.587053986132701,6.907108669924626,7.027327313181304,2.1282252667304125,0.1564333550436399,0.0003813905944117,8.099823651390123,2.4241618977276445,4.758136530420756,0.2445903262108764,6.687458938817426,14.587482226087737,0.7690257074933065,6.460039999573373,0.9678146281333054,27.015190546843066,1.0274490526289113,2.535329754468263,0.0278963730548371,-6.460039999573373,-0.9678146281333054,1.0756638414966446,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,14.449363168640676,15.35977425270892,16.173299199146026,16.900773108058218,17.5515853238197,18.134080325590435,18.655761678542746,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0143_46,RSM0143.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0202187392157271,0.2501434470584273,1.353076201370637,3.7357077255639455,6.200027586112719,7.815111559114775,8.650866918393353,9.038020595857994,9.182650384473922,2.843601356267213,0.1590812152293653,0.000390259025743,12.787926909596177,4.199731307628492,7.2795273126455875,0.5120875778211135,8.284721435109919,18.14912314889257,0.9005888525853806,5.897353272129407,1.1343813385851027,31.56818127395648,3.3441120956816057,7.6715839397907954,0.2951291838984448,-5.897353272129407,-1.1343813385851027,10.377092869913737,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0143,13.805748388180778,14.791485667609244,15.668157606050537,16.4489026572425,17.145030506867226,17.76640668615362,18.321719612849808,[O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)c1cc(cc(c1)P(=O)([O])[O])C(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM1823_0,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.002755711258818,0.1588779673171713,1.1118921399238084,3.2008160916663733,5.505343238369598,7.093752230205493,7.9376991921354145,8.333429187406974,8.482017056166203,2.40428848346852,0.0845672898139341,2.0382147083217127e-06,9.57871564713426,2.977895077985792,5.85474635565054,0.373372090522441,17.487956184238715,39.956946862115245,2.044075664840358,8.688346475122714,1.763574236724795,73.6455156176315,-17.487956184238715,-39.956946862115245,-2.044075664840358,8.159438497038407,1.763574236724795,-73.6455156176315,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1823,21.852438825206523,22.20499781475507,22.48263760711922,22.70485898596992,22.885293861926627,23.03367711646532,23.15709577040869,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_1,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0028009530623477,0.1595715065935211,1.1121694573696514,3.197557455822494,5.498212151371334,7.084140090056478,7.926822423839345,8.321970664587758,8.470341831541042,2.4024296672316616,0.0850687593735266,2.145944356023351e-06,9.54714260880831,2.968825927536179,5.84448571327095,0.3748700703380455,17.477440181710918,39.934075420180015,2.042237732202156,8.691510747097706,1.764914789550997,73.56944034559632,-17.477440181710918,-39.934075420180015,-2.042237732202156,8.18465796067184,1.764914789550997,-73.56944034559632,-17.0,-38.938645,-2.0,9.0,1.89,-68.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1823,21.890915693741405,22.236445842221794,22.508792604928463,22.72693863073234,22.904174318118727,23.050003145388,23.17135141191983,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_2,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.002755961234556,0.1588871878965967,1.1119070621800538,3.200825246347001,5.505361169625131,7.09378239835399,7.937737218872363,8.333471155845823,8.482060542566611,2.404298232310823,0.0845731717506808,2.0384298784117893e-06,9.578756625737634,2.977948142917082,5.854755720702322,0.3733899532363403,17.487835837369293,39.95668568495315,2.044055174552605,8.688384860841126,1.7635903997416529,73.64468303183588,-17.487835837369293,-39.95668568495315,-2.044055174552605,8.159722766209866,1.7635903997416529,-73.64468303183588,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1823,21.85438508549621,22.20664647797213,22.484049087492508,22.70607921639484,22.88635810663937,23.034612750565262,23.15792428740085,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_3,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0028013543534446,0.1595866110845515,1.1122919135294134,3.1978665714722267,5.498659301381713,7.084660999585846,7.927378141530021,8.322541895778867,8.470918769515183,2.4026770065748453,0.0850768069803121,2.146509013512393e-06,9.548870261804018,2.969415186076342,5.845502365187362,0.374945320605127,17.477513506983225,39.93423503756763,2.042250683128228,8.691489225529692,1.7649056628867472,73.56998028405985,-17.477513506983225,-39.93423503756763,-2.042250683128228,8.18448102799096,1.7649056628867472,-73.56998028405985,-17.0,-38.938645,-2.0,9.0,1.89,-68.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1823,21.88852798340232,22.234393951251302,22.50701640854084,22.7253897050212,22.902813943907784,23.048800344827093,23.170281290920293,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_4,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421728262299867,0.5078786007369516,1.4694403324787264,3.245679382232278,5.096037029298053,6.344017011874,7.001387602963868,7.308535134346536,7.423697798885297,2.5866228625963705,0.3972377702464639,0.0204294986205592,10.812242303418062,2.978007386170148,6.913157625077518,0.3843429699785469,3.674734063599754,8.018157170897275,0.5999592480858705,7.475092033351141,0.4098258984800116,24.05175534012741,3.674734063599754,8.018157170897275,0.5999592480858705,7.475092033351141,0.3788946884939104,24.05175534012741,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1823,3.250186553289618,3.864906014251981,4.503790415966513,5.152435519137473,5.798766223229722,6.433467434887676,7.04991194933015,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_5,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438073569546782,0.5412907779888726,1.6468355370306298,3.676462264137219,5.723658244169183,7.068870387924048,7.767582567035101,8.091918068576387,8.213191014285988,2.930280726734636,0.417380240047509,0.0205597723250148,14.207324318057942,4.345460799023472,8.787877464831508,0.7463850595153451,4.493718754533767,9.667969304354283,0.6846674862385724,9.971058644442346,0.7165609798803481,25.45813026403124,4.493718754533767,9.667969304354283,0.6846674862385724,9.971058644442346,0.7165609798803481,25.45813026403124,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.127991584962433,3.765631086381972,4.433081087436033,5.112349230448774,5.788777967366465,6.4514188436287006,7.092764405682369,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_6,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437879408527597,0.5441216799692598,1.6474536212364563,3.646338211947008,5.652048614081772,6.969586678843366,7.654290392648851,7.9722434215454365,8.091151400133972,2.9136503111639667,0.4193364569578988,0.0204854935430187,13.910726128531303,4.295028949957158,8.59725525618617,0.7690129306857159,4.714159952424684,10.124998241810578,0.7015432796622724,10.326506189722863,0.7828221820388043,25.537229814235644,4.714159952424684,10.124998241810578,0.7015432796622724,10.326506189722863,0.7828221820388043,25.537229814235644,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.16725552451696,3.797349489510183,4.457189907706352,5.129300065477665,5.799306253817167,6.4563802404319794,7.093029309289642,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_7,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421791482860511,0.5117131423238489,1.4912734643519006,3.2929231675857173,5.171774224022701,6.442339539929455,7.112724176682491,7.426206371362591,7.543784835783724,2.624731766015897,0.3992095447891146,0.0204209901943187,11.09713896105025,3.141585478445536,7.067312434490515,0.414155073418537,3.055642171384915,6.648118206712026,0.5313346915773154,7.219457648785096,0.3581873546079196,21.95244414858108,3.055642171384915,6.648118206712026,0.5313346915773154,7.219457648785096,0.3554987671844947,21.95244414858108,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1823,3.0867505935396107,3.7042812254405706,4.348265637107263,5.003391208607012,5.656937527340518,6.299149114683903,6.923108361238231,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_8,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416449297680803,0.4901634057839656,1.4023202450215742,3.150875316268047,4.998518788408811,6.249375521725358,6.908937409469512,7.217207390714762,7.332803546471632,2.497224429811358,0.386866468604917,0.0204033332116028,12.219685660720614,3.0804680608916866,7.680538849564331,0.2449666875484071,3.8298089086607305,8.254463848810978,0.5979356849243078,8.613294388055193,0.5833204999293815,22.7064534013979,3.8298089086607305,8.254463848810978,0.5979356849243078,8.613294388055193,0.5833204999293815,22.7064534013979,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.1928784319352235,3.875780255575344,4.57889592112401,5.284887830822962,5.980250928778243,6.65532105127874,7.303818128806096,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_9,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421205078927051,0.5034999949779494,1.4500640450019442,3.2364988232457783,5.140436668802339,6.438611942876204,7.125314685803441,7.446694994701968,7.567270654923401,2.567655967794048,0.3946245760484216,0.0204703330340336,12.191261228361322,3.179158696264762,7.650474953616372,0.2975456044633059,2.2572901060044783,4.926031762151379,0.4114462897948107,5.548860424362964,0.2330323038067227,17.514789755614355,2.2572901060044783,4.926031762151379,0.4114462897948107,5.548860424362964,0.2330323038067227,17.514789755614355,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.262252990366939,3.942513288195,4.641165468366308,5.341611350442256,6.030934745878665,6.699889192404049,7.342462533063561,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_10,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1382598958111492,0.4951374298788398,1.5200720084284465,3.569649987750837,5.755919688774026,7.235719381268964,8.014955470600704,8.378852170199474,8.515253874249709,2.798885359352245,0.3863490651520088,0.0194266603031507,13.77737423310482,3.812638901616225,8.521539197603566,0.4876166509167505,3.317856004954111,7.228093379412918,0.5916410091111911,8.035395539582435,0.3664695604473498,24.83227141512477,3.317856004954111,7.228093379412918,0.5916410091111911,8.035395539582435,0.3659870580725982,24.83227141512477,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1823,2.949184082747728,3.5845666856003744,4.246308354787751,4.91822626143462,5.587171443273585,6.243267726789518,6.879668215583121,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_11,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417955636062814,0.4905145185823884,1.409813607417815,3.184325473384217,5.066852929844978,6.342819006008384,7.015773796315887,7.330313052557747,7.448260083604689,2.519740164556798,0.3870096907124576,0.0204521794902129,12.51934857542783,3.1673863897630894,7.861879822984635,0.254424630862575,4.2128050629718015,9.098237050704377,0.6754766268737469,9.616618077961778,0.6083463856376277,26.219338566303275,4.2128050629718015,9.098237050704377,0.6754766268737469,9.616618077961778,0.6083463856376277,26.219338566303275,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.254411135492286,3.949622642450645,4.661846694855381,5.374077670627577,6.073261843699744,6.750204727912467,7.399060427327732,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_12,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421725214993563,0.5069341101523837,1.4644548514741311,3.2364819941529874,5.083537900637314,6.329367309566997,6.985606926975884,7.292226108430415,7.407190705277872,2.578745962293276,0.3967508097605091,0.0204321959662898,10.769790574727608,2.954602268295991,6.883531308172845,0.3769116490774505,3.7230805114547993,8.124055591253915,0.6050752126915219,7.504959851885085,0.4155009614585189,24.19360048589049,3.7230805114547993,8.124055591253915,0.6050752126915219,7.504959851885085,0.382730983614889,24.19360048589049,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1823,3.266337131898189,3.8798388731883047,4.517383825876919,5.164673444297995,5.809698675478462,6.443181250567241,7.058510816993273,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_13,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438056482928745,0.5404642054493662,1.6442678109421502,3.6731661454372864,5.720613948327375,7.066054570157193,7.764862322099135,8.08923389663488,8.210518822380498,2.927049476275875,0.4168484988381073,0.0205751905869995,14.214776427437007,4.336230958764351,8.79169031986875,0.7352133392846514,4.390932897419667,9.448358339438938,0.6704871572297733,9.754830155257851,0.6974113057611119,24.979436518985803,4.390932897419667,9.448358339438938,0.6704871572297733,9.754830155257851,0.6974113057611119,24.979436518985803,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.125486164053206,3.764532761846628,4.433271364321917,5.113642441312874,5.790953267088974,6.454240472682817,7.095994079011258,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_14,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.143756054285945,0.5442876823621559,1.6490416327988122,3.6487802745840687,5.653326345919774,6.969585160970072,7.653543375180607,7.971138448392981,8.08991107633278,2.9160950296897123,0.4194070196065789,0.0204730532643673,13.90477300550896,4.302238220874291,8.589393858153338,0.7758645327878425,4.656131002905928,10.000748388183958,0.6932795696826622,10.202367560367223,0.7724978322290603,25.248914863256715,4.656131002905928,10.000748388183958,0.6932795696826622,10.202367560367223,0.7724978322290603,25.248914863256715,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.1640753769863696,3.793370465992965,4.452470230802399,5.123949003135243,5.793453125818672,6.4501548747942765,7.086551136653725,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_15,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422129540634908,0.5120717572778457,1.494489679240781,3.303202791199097,5.188507172789556,6.462671918075731,7.134732555409287,7.448950310463339,7.566797122132654,2.632411927832737,0.3994079624345145,0.0204297912518124,11.157391225548386,3.1674112123247764,7.098156377605541,0.4164152989891423,3.05423506332437,6.645426216120679,0.5328485652665421,7.250552006656765,0.3567699721578981,22.056712071521787,3.05423506332437,6.645426216120679,0.5328485652665421,7.250552006656765,0.354712518528376,22.056712071521787,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1823,3.075166717182677,3.693679431719645,4.338696418682368,4.994830201357259,5.649317853398001,6.292383114699164,6.91710130164992,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_16,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415872032198399,0.4901959184885886,1.4040836385480835,3.156494612177272,5.006544362029552,6.258256549174188,6.918082918727465,7.226439375155043,7.3420623380423296,2.5015731535394754,0.3868386224767985,0.0203862364331263,12.244249260474108,3.091097323275072,7.691262245735257,0.2463772828657304,3.9427449471708913,8.496702788660336,0.6144285835164887,8.858173615302801,0.6026694359085678,23.29627611029976,3.9427449471708913,8.496702788660336,0.6144285835164887,8.858173615302801,0.6026694359085678,23.29627611029976,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.185179040213609,3.866383849510179,4.568336033087038,5.273609368085096,5.968605633991524,6.643576184631207,7.292170155670461,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_17,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420372756380502,0.502863327929229,1.4471191088792612,3.2333354312311706,5.140961516860517,6.442933054682486,7.131933189922855,7.45444586933462,7.575455040820104,2.564009399703834,0.3942375052663656,0.0204490991954355,12.183550348938695,3.166928883502307,7.651571955779424,0.2945514272233383,2.294937519031859,5.008970032461167,0.419066150066419,5.647466719563211,0.2354981645946412,17.859942909490044,2.294937519031859,5.008970032461167,0.419066150066419,5.647466719563211,0.2354981645946412,17.859942909490044,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.272752954494324,3.9543528012394367,4.653949874524747,5.35499003991201,6.044615518332644,6.713639205799866,7.35610264335399,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_18,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1381678995347694,0.4960472605731396,1.5248579315993098,3.5707897324354847,5.746506849792839,7.217881736443246,7.992518358678855,8.35424750518691,8.489834606326443,2.802548763855828,0.3867439370623169,0.0193980045093279,13.743414508989895,3.824441471980148,8.497334888558541,0.4997846486269297,3.3050871282083034,7.199344262542068,0.5883163255985057,7.99396108017563,0.3667469438528665,24.66427428777705,3.3050871282083034,7.199344262542068,0.5883163255985057,7.99396108017563,0.3662004284084156,24.66427428777705,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1823,2.934163201997174,3.567279894313221,4.227313897363301,4.898065942632569,5.5663448069106725,6.222223378699416,6.858803901279809,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_19,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417687666194906,0.4905322509368952,1.4101441425757453,3.185184033774755,5.0684704943058,6.345002525860282,7.018262883662125,7.332946022872248,7.450947153267747,2.520375204932987,0.386994303458712,0.0204447338904778,12.534810106098396,3.172287654405741,7.870829817764149,0.2548659397534487,4.131245491495179,8.922932364669451,0.6632114398285857,9.436937010123865,0.5950271248105434,25.768573330525093,4.131245491495179,8.922932364669451,0.6632114398285857,9.436937010123865,0.5950271248105434,25.768573330525093,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.261634111649151,3.957677794476432,4.670418049147482,5.382897550010289,6.082120691335041,6.758947804622549,7.407579227385359,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_20,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421405258589398,0.5078582267015501,1.4694741830709768,3.245737885020598,5.096117403073537,6.344121098764202,7.001507329555068,7.308662888614396,7.423828678428385,2.586675327655756,0.3972082646352794,0.0204200283664908,10.812212328885767,2.9780221989223943,6.91330424343768,0.3845182773587068,3.674523122699037,8.017735623733724,0.5999250730057286,7.474122661202571,0.4097465517580937,24.05062565928109,3.674523122699037,8.017735623733724,0.5999250730057286,7.474122661202571,0.3788003289198798,24.05062565928109,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1823,3.249668837393979,3.8643404911515216,4.503189815256768,5.151812228931948,5.79813128359849,6.432830118062842,7.049279702469293,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_21,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437474819088958,0.5411466066314053,1.646534832844339,3.6760419306506207,5.723213960739216,7.068435414548009,7.767157138419812,8.091497897894477,8.212772927661709,2.929888433812636,0.4172607167635511,0.0205434973349613,14.206551994779394,4.344334734297584,8.787710378787452,0.7458995450027436,4.491514272779488,9.663214097482795,0.6843195798223438,9.966070911358235,0.7162322093761281,25.444799223666628,4.491514272779488,9.663214097482795,0.6843195798223438,9.966070911358235,0.7162322093761281,25.444799223666628,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.1279169421224204,3.765581628856693,4.4330538996581765,5.112340977044068,5.788785326893409,6.451438724019575,7.092794034277812,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_22,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438277035214081,0.5442262238054545,1.6477138176633936,3.646797250775536,5.652638639824064,6.970244431193133,7.6549801088435485,7.972947447464807,8.091860704397162,2.914047224990667,0.4194213863274276,0.0204960931595876,13.912337216007018,4.296132148446986,8.598150773410326,0.7695424447084606,4.713929110504204,10.124574564550809,0.7015788434121857,10.32655985780169,0.7826537501496453,25.54087348633197,4.713929110504204,10.124574564550809,0.7015788434121857,10.32655985780169,0.7826537501496453,25.54087348633197,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.167004383518318,3.7970141982240095,4.456782645090459,5.128834866014729,5.798797144666767,6.45584012415104,7.092469417544973,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_23,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421193014072826,0.5116367254454113,1.4912965913199925,3.293246884546065,5.172435511192835,6.443222064199532,7.113719657769829,7.427253702821556,7.544851452486608,2.6249372984517705,0.3991307879256757,0.0204037542670176,11.099414031497387,3.1421503237556414,7.0689300390322485,0.4142644250696434,3.0562927538865936,6.649536049511158,0.5314428522302395,7.220849179317281,0.3582620730099153,21.956815769145745,3.0562927538865936,6.649536049511158,0.5314428522302395,7.220849179317281,0.3555696370543298,21.956815769145745,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1823,3.0866136787546847,3.704180615252246,4.348202275925273,5.003363390087057,5.656941993241665,6.299181854853735,6.923165152032771,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_24,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416456444558786,0.4901947403218985,1.4024882579693634,3.1512309567406023,4.999015064424508,6.24995037478171,6.90955017767198,7.217837207539188,7.333439655892372,2.497518867650488,0.3868840108714383,0.0204033338426593,12.221531031383623,3.081196359157869,7.681505376990857,0.2450684786197424,3.830397750582785,8.255726272728886,0.5980211039582995,8.61456658224918,0.5834223507801851,22.70948852416705,3.830397750582785,8.255726272728886,0.5980211039582995,8.61456658224918,0.5834223507801851,22.70948852416705,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.19241409994061,3.875299056468384,4.578402795707972,5.284388185675803,5.97974999483161,6.654823523951348,7.303328009893547,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_25,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421043064906064,0.5034752236110029,1.4500420184136102,3.2364504732085626,5.140339979278195,6.43848153847817,7.12516722804172,7.44653980874152,7.567112614585736,2.56762146663448,0.394600618206808,0.0204657239997845,12.190989163002037,3.179096699354024,7.650256050229554,0.2975324854525893,2.2567312816897545,4.924802463264763,0.4113349352836546,5.547410763958991,0.2329924166950881,17.509789061407048,2.2567312816897545,4.924802463264763,0.4113349352836546,5.547410763958991,0.2329924166950881,17.509789061407048,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.262042589908363,3.942337192509968,4.641018148466539,5.341487778729896,6.030830531562861,6.699800591175137,7.342386392574757,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_26,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1383374317573327,0.4952684716333571,1.5202759269877897,3.5699055589244835,5.75618769207339,7.235988459823893,8.015224250261124,8.379120713218065,8.515522318721118,2.7991292469160736,0.3864684486655208,0.0194482406151958,13.77811641907162,3.813293738926967,8.521848466831702,0.4878528179667188,3.3184124479819124,7.229286396084998,0.5917287728428491,8.036755924536243,0.3665632109142858,24.83558901888493,3.3184124479819124,7.229286396084998,0.5917287728428491,8.036755924536243,0.3660838604846428,24.83558901888493,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1823,2.949294968510318,3.5847013830814927,4.246460065048734,4.918389228264757,5.5873410208891805,6.243440294304198,6.879841029956312,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_27,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417228695052176,0.4904107203922215,1.409675517462806,3.184081856358973,5.066500649095971,6.342399608460046,7.01532100671784,7.329845095095573,7.447786507713864,2.5195370437637505,0.3869089338343833,0.0204313230812919,12.51808404638513,3.166923511844081,7.861194464982343,0.2543674789870215,4.212282115669698,9.097104775046686,0.6753899771445547,9.615401932826137,0.6082761704637984,26.215887821770348,4.212282115669698,9.097104775046686,0.6753899771445547,9.615401932826137,0.6082761704637984,26.215887821770348,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.254328483417817,3.949547209278024,4.661776089730408,5.374010182808136,6.073196362114905,6.750140604371974,7.398997339233327,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_28,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421706786775397,0.5069273900658966,1.464428324647563,3.2364311394410645,5.083463132488144,6.329274122271579,6.985503217357991,7.292117296739267,7.407079951098153,2.578703281289608,0.396746185881381,0.0204316602997668,10.770131203566958,2.954553393096417,6.883647579008082,0.3767831518656972,3.722463425185161,8.122671269440385,0.6049874246148093,7.504532048185943,0.4154839069467825,24.190158643075563,3.722463425185161,8.122671269440385,0.6049874246148093,7.504532048185943,0.3827415258493301,24.190158643075563,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1823,3.266801000925151,3.8803073248318047,4.517854055350655,5.165142453814741,5.81016352566091,6.443639263692544,7.058959699489432,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_29,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.143804138509524,0.5404500971911131,1.6442554932072369,3.673149435895951,5.720577976725154,7.066002795354253,7.764801913424111,8.089169425300625,8.21045282564431,2.9270368776553206,0.416837149263111,0.0205751845023727,14.21458654251294,4.33612032616484,8.791550984905163,0.7351471357524875,4.391655296695291,9.449906931938951,0.6705917854189315,9.756389580046742,0.6975366718215005,24.98314849584875,4.391655296695291,9.449906931938951,0.6705917854189315,9.756389580046742,0.6975366718215005,24.98314849584875,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.1256153763616674,3.76461374124285,4.433313016207113,5.113652931229053,5.790939667941178,6.454208699292213,7.0959489659347925,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_30,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437323081635641,0.544215690463405,1.6489054321165988,3.648583407673674,5.653086748888963,6.969322251934013,7.653269396455321,7.970859537176283,8.089630352187237,2.91591722818136,0.4193482121560625,0.0204671755290049,13.90424018523476,4.301663397838328,8.589096225254114,0.775488738424674,4.656462918402149,10.001440199626735,0.6933085358667147,10.202931205335869,0.7725909870516438,25.24928291865928,4.656462918402149,10.001440199626735,0.6933085358667147,10.202931205335869,0.7725909870516438,25.24928291865928,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.1643298411566763,3.793592483988864,4.452665217517128,5.1241214355566,5.793606629096966,6.4502923615762695,7.086674946142634,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_31,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421965959441825,0.5120622326655843,1.4945673373996826,3.303390943607444,5.188757554470778,6.462948037215181,7.135018778968153,7.449240597959699,7.567088835603607,2.632566966840588,0.3993915745138704,0.0204251238922767,11.15799721118768,3.1678731379077747,7.098357013840342,0.416533765195952,3.0540511974526794,6.645018462819223,0.5327993446189508,7.24983748470798,0.3567660211030989,22.05424462307586,3.0540511974526794,6.645018462819223,0.5327993446189508,7.24983748470798,0.3547043303744037,22.05424462307586,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1823,3.075314838608855,3.693784459555997,4.33876199525661,4.994861159299445,5.649319379194004,6.292360247638362,6.917058663289242,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_32,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415287700192625,0.4901265736802013,1.4040084942428233,3.156292315024215,5.006169228554784,6.257760974151481,6.917524208507809,7.225851344853103,7.341463349625949,2.501426202956372,0.3867661149023196,0.0203693662459018,12.243067259519783,3.090622725769606,7.690682171947957,0.2463179883886732,3.941242233494157,8.493462132221058,0.614192202304214,8.854779851927868,0.6024437242476396,23.2872429938242,3.941242233494157,8.493462132221058,0.614192202304214,8.854779851927868,0.6024437242476396,23.2872429938242,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.184917670804724,3.8660580171029686,4.567960658456975,5.273198250814489,5.96817078487021,6.643127654415816,7.291716127899233,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_33,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420765162028869,0.5029223127741339,1.4470595821088312,3.232981384447521,5.140385559907417,6.442254209190436,7.131212563683347,7.453708322897173,7.574711553400608,2.563757288615236,0.3942963307950329,0.0204602252778461,12.181816482302446,3.1660021066572,7.650765908440676,0.2943643218705224,2.2938754953077374,5.006670164632685,0.4188897979318329,5.6449938787624,0.2353562242897564,17.852908378689612,2.2938754953077374,5.006670164632685,0.4188897979318329,5.6449938787624,0.2353562242897564,17.852908378689612,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.272866613749018,3.9544402864301618,4.65401647618507,5.355040244893937,6.044652919001927,6.71366656602402,7.356122020132408,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_34,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1382521044235673,0.4962005164256502,1.525160750890024,3.571329917212371,5.74724400555451,7.21873030869847,7.993420076873144,8.355172892951643,8.490768688297297,2.803007203771686,0.3868796696787209,0.0194213367836766,13.746170848556265,3.8256057755316464,8.498807575077764,0.5000453666716081,3.3053238216869167,7.199859137789149,0.5883450871614839,7.994242219693724,0.3667797592313085,24.66518369256289,3.3053238216869167,7.199859137789149,0.5883450871614839,7.994242219693724,0.3662274975867708,24.66518369256289,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1823,2.9343570023481766,3.5675042898401585,4.227566788957713,4.89834354380185,5.566642535744903,6.222536479093253,6.859127836187943,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_35,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417853365954016,0.4905705025808729,1.4102412321531068,3.185381806230021,5.06877174138021,6.3453730346607,7.018669722870122,7.333369804072816,7.451377281617458,2.520535872801516,0.387025499511811,0.0204493976167405,12.535900118379978,3.1726344746261743,7.871484769027153,0.254923227307232,4.130875571226873,8.922140116946792,0.6631585814346213,9.436144222703843,0.594961627885213,25.76672284428912,4.130875571226873,8.922140116946792,0.6631585814346213,9.436144222703843,0.594961627885213,25.76672284428912,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1823,3.261862627257666,3.957880284257503,4.670598765143522,5.3830600853450505,6.082267963170146,6.759082128959443,7.407702422442084,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_36,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2287916202076132,0.9477515204231128,2.270989488785228,4.186031967792179,6.033870364946855,7.256190997360391,7.897029226253584,8.196079310883807,8.308164312535162,3.503881015051007,0.7447109452920779,0.0244849973234884,12.704418006235516,6.364891163843394,7.32580428343963,1.8672872118248625,2.447486362355972,5.335956497618025,0.4407567519843302,5.973540378230615,0.2732793937330898,21.05256685146647,-1.9600811574873296,-4.363125023308193,-0.4407567519843302,-5.486135173361972,-0.0352503326559409,-21.05256685146647,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.150140455286436,9.910274338896928,10.652387909987253,11.372562597460538,12.067214671804605,12.733418309760657,13.369049166315897,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_37,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2207577208310349,0.9309171986849092,2.350511659831336,4.5296381465020845,6.6033759891348565,7.938239661533054,8.626228657206752,8.944610094050965,9.06351410503316,3.751363050261504,0.7268590209434695,0.0238398298269704,15.648828334292023,7.332688560656295,9.020771225079388,1.9946418404009545,2.2240668746969923,4.877872006027665,0.4290009160684357,5.656074203244478,0.1853330416118443,19.70035269485368,-2.065942285987366,-4.562516232534621,-0.4290009160684357,-5.497949614534852,-0.1149675996360604,-19.70035269485368,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.5186283881877,10.283314822979296,11.0202640120843,11.728787112119868,12.407655938084568,13.055662852452306,13.671923374843512,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_38,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1109747104992016,0.7609095372307394,2.377588588346052,4.836172885054576,7.107091469377288,8.551213157052594,9.292268716423376,9.634636790550193,9.762416979114317,3.969450183840393,0.5502176989393498,0.0043310926203153,17.65844504005903,7.830229125631947,10.375039636521166,2.01374301887749,1.1376735895412309,2.4062791250719835,0.1328978846224736,2.20085666652102,0.2663744976554153,8.346325640155628,-0.1913052566835053,-0.5182079329455528,-0.1328978846224736,-1.254488333663294,0.1733459784196838,-8.346325640155628,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.767746335471401,8.549817953717156,9.317743196992016,10.069581978158569,10.802507938972944,11.513381434291883,12.199236425935611,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_39,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.221209107562154,0.932886940025471,2.3461793617530766,4.499890432308531,6.553418253572063,7.879359149449921,8.563955152347733,8.881027878983959,8.999484183561652,3.7308467103199714,0.728453759133513,0.0238253186936479,15.509977843321291,7.274220417820782,8.946630925849654,1.973487499876434,2.380839006145148,5.226802874525999,0.464182309211767,6.094297479839284,0.1891315279625274,21.187841214961075,-2.2609840859725225,-4.987770214479724,-0.464182309211767,-5.974442559666658,-0.1357960884857091,-21.187841214961075,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.484072853462829,10.245008348469533,10.978783840962723,11.684701618657671,12.361517160765358,13.007994499762804,13.623209442834176,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_40,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2276972671103329,0.9444080274832408,2.27722533012886,4.220914814355171,6.079002903887874,7.296484734750201,7.931489740972806,8.227109259719933,8.337797579076435,3.529723428704867,0.7418378849180849,0.0243748483204813,12.924290174174104,6.476775925514689,7.415887197355587,1.8865463249215668,2.391007277435788,5.212689265659359,0.4304418826484489,5.834542338623379,0.2676656123817926,20.563874040147915,-1.913411549048703,-4.259408191798738,-0.4304418826484489,-5.356946610236294,-0.0336437054721213,-20.563874040147915,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.190869610042183,9.963724708745527,10.71604722361015,11.444195935903144,12.144865001951942,12.815397379038396,13.453922427585058,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_41,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1428930337061476,0.7647491476956766,2.1293837295685667,4.431768837449772,6.761292419449627,8.303228269509665,9.107265834954092,9.48116353012555,9.621073244293466,3.587280218773002,0.5789789073244668,0.0087660937993673,16.233085638635927,6.756443862325314,9.42737707760982,1.617329432056339,1.5484973633352974,3.205810577613448,0.1136291544572113,2.4575305989929883,0.4872648395887758,10.015069905820717,0.4122058187631838,0.7053419466221934,-0.1136291544572113,-0.4968274168945071,0.4077244314687279,-10.015069905820717,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.8638467164968775,7.739817077831504,8.591393670654472,9.413662914864789,10.203773445234718,10.960077222991876,11.681676453598891,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_42,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1044610762066089,0.7275012944513075,2.335917883940676,4.952528133980215,7.490212267720533,9.146398481919482,10.006613576511873,10.406157161117756,10.55560406587713,4.01140055017176,0.5249740274021676,0.0039029083985904,19.600100612856405,8.314898915514304,11.253077649356984,1.9318176216394416,0.8426360948577064,1.8523582787876427,0.1666705038491318,2.176000125650761,0.0626847811677079,7.546590551271169,-0.8240689436336122,-1.815312827074506,-0.1666705038491318,-2.157432974426667,-0.0539845715266842,-7.546590551271169,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.565006570587025,8.37003554571618,9.15594818362719,9.921674153903789,10.665269905743637,11.384397489186462,12.076760646564823,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_43,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1024575227699219,0.7028952805543505,2.335653404402479,5.215057905371705,8.070681174247701,9.933062769190466,10.897408255562569,11.344477807627117,11.511557477186912,4.164334244255416,0.5086168195104964,0.003761889818664,22.40955379441218,8.957677079070928,12.97128245709029,1.8916799793529284,0.8716626131055105,1.918138906594558,0.1743325226211021,2.266322794074328,0.0610163829173856,7.844963517949596,-0.8716626131055105,-1.918138906594558,-0.1743325226211021,-2.266322794074328,-0.0610163829173856,-7.844963517949596,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.911368598020849,7.780685485475273,8.632981995623112,9.462791330638556,10.2657949335237,11.038580433229075,11.778571846365894,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_44,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.10434604275884,0.728387639280719,2.344103610858291,4.972609957289901,7.5231760128539715,9.189153337109348,10.05490525386093,10.45712335236043,10.607587142098442,4.027194607469981,0.5253122390319231,0.0038752261126006,19.78306378098312,8.399867767414916,11.36149954155129,1.9424883779184103,0.7806675634131276,1.7164961929959357,0.1547662553525639,2.0187976062336395,0.0573816361669004,6.998662924116917,-0.7669949901125122,-1.6892157344900185,-0.1547662553525639,-2.0051250329330244,-0.0509547425798941,-6.998662924116917,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.589830307682114,8.390588174209793,9.172791245440225,9.93551959474619,10.676828346415974,11.394298152104884,12.08551953628539,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_45,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1427853339686998,0.7654583637707362,2.1355068673031203,4.461711822931037,6.8215590398850745,8.384907053665682,9.200392137988793,9.57966963600395,9.721601089792232,3.607316214694128,0.5794377246019984,0.0087132082079807,16.52156191737014,6.819242400727622,9.598950769134436,1.6240396236137007,1.5643129221922036,3.2449354899052945,0.1209895415142095,2.5322292543058804,0.4803525782556985,10.24135544124521,0.3544175070501079,0.5824977143235253,-0.1209895415142095,-0.6134988250635689,0.3956598991957519,-10.24135544124521,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.821390396985527,7.696807133270675,8.54937488601829,9.373609168714944,10.166250401186923,10.925366189963688,11.64986559888427,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_46,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2203278335858085,0.926293222001545,2.313920453138117,4.476866148415532,6.617256163346148,8.03361410356255,8.773727554652735,9.118350704993151,9.247383733738998,3.694650343132885,0.7244487545922571,0.0236973766214163,16.125612597743803,7.484537739125422,9.101807963653997,1.9383819669914528,2.06895560489382,4.552844394260305,0.4137911209787639,5.379284572723931,0.1448268923425672,18.62060044404437,-2.06895560489382,-4.552844394260305,-0.4137911209787639,-5.379284572723931,-0.1448268923425672,-18.62060044404437,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.155114189379791,10.017371818957113,10.829683776601104,11.595106826278569,12.316269423218293,12.99536547610763,13.634288612593922,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_47,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2195364581576666,0.9244320788229644,2.318186223657491,4.488403394560505,6.628979003112643,8.045085131365077,8.785496105587555,9.13040533658637,9.259572443500812,3.704759116103148,0.7225318379075204,0.0236810333988154,15.931031280376509,7.451643941413194,8.944711985238875,1.968399113862636,2.0109807718911967,4.425267759546718,0.4021961543782394,5.2285500069171125,0.1407686540323836,18.09882694702077,-2.0109807718911967,-4.425267759546718,-0.4021961543782394,-5.2285500069171125,-0.1407686540323836,-18.09882694702077,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.195124719094627,10.055524728332038,10.868043268884284,11.634827167573857,12.357882672598771,13.039001727607747,13.679832736517128,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_48,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0972412471132741,0.7038766376482505,2.276849317244213,4.850431749554627,7.378525474394059,9.041179437302674,9.907742014216565,10.31082529254484,10.461685579177692,3.9206179954304736,0.5052836759327499,0.003412198361906,18.676033708716457,7.944305913532381,10.696215468986662,1.8363047818836964,0.7713046699734566,1.68556673678077,0.1428844222841743,1.914380048246852,0.0753222863553613,6.714211795550771,-0.6575395528682865,-1.458679275482074,-0.1428844222841743,-1.800614931141681,-0.0246968092435606,-6.714211795550771,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.587936514693613,8.418835579436653,9.233617834804958,10.029053798177214,10.801403199693056,11.54703359740887,12.262844876622692,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_49,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0978445638535525,0.6815687720790126,2.272160892122776,5.148346102903486,8.04461564453552,9.942476026653752,10.926407456784023,11.382712001521783,11.553260561110193,4.091067115261703,0.4930701175127361,0.0034149644720263,22.09405082691351,8.680178264008521,12.889957160934452,1.7902457348830936,0.9170171929933872,2.012363703444916,0.1779909647807034,2.3409449112390144,0.0743395919182383,8.144905260581005,-0.862892454813647,-1.90442003185615,-0.1779909647807034,-2.286820173059274,-0.0502540834282538,-8.144905260581005,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.03027145987513,7.937457429026803,8.824467216748813,9.685172658776112,10.514801807674043,11.309748477342016,12.067482581857906,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_50,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0992692034403726,0.7116729099288119,2.306729362194198,4.924977931349127,7.4973685650694755,9.190124268455298,10.072827446181304,10.483534223491858,10.637267105402472,3.978982011772035,0.5113094865168453,0.0035582149623317,18.96795738532775,8.1657960009174,10.7731788178733,1.8638044215469365,0.7863597690786825,1.6822459769658893,0.1105414802027319,1.670691610700538,0.1426648218598913,6.142628449448051,-0.3190550329486369,-0.7502767764649327,-0.1105414802027319,-1.2033868745704923,0.065285785717979,-6.142628449448051,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.103823785683288,7.966995553310591,8.817015253219848,9.647534672649366,10.45314946257324,11.229456610655204,11.973104005624016,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_51,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160905106283013,0.9214319947523268,2.328844733538256,4.571655441481472,6.829541891780605,8.338188613294145,9.130306512401727,9.499950639833614,9.638478378947507,3.754971728313526,0.718863755690449,0.0226542616352946,16.683694904399562,7.634541079921242,9.4379298720535,1.967047909955672,1.8360368188639813,4.034033691235652,0.3611348692391635,4.72511577277729,0.1399085045710399,16.402881479103176,-1.775311873527654,-3.912926896504148,-0.3611348692391635,-4.664390827440963,-0.1128859038963742,-16.402881479103176,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.417783685798636,10.263030601676824,11.05859514238736,11.808293820690125,12.5150319537867,13.1810368775359,13.808124933914936,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_52,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2203744628047374,0.9255974829337534,2.316744670522452,4.498714296606355,6.660480283175276,8.092685208009648,8.841889490001295,9.190963129944818,9.321699810901285,3.709102218327932,0.724063526002286,0.0237364542147549,16.353149997643115,7.557987121845874,9.215947212041282,1.9493464579571207,2.061308388820805,4.536016297636402,0.4122616777641611,5.359401810934095,0.1442915872174562,18.551775499387247,-2.061308388820805,-4.536016297636402,-0.4122616777641611,-5.359401810934095,-0.1442915872174562,-18.551775499387247,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.041582707642045,9.915181258969088,10.73874316367445,11.514926105116787,12.246107926500958,12.934350664336876,13.581501880968558,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_53,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1558249487853233,0.793241080510506,2.043542369945657,4.11418703220801,6.342385028938296,7.885971066458024,8.709354222830374,9.096170552276872,9.241526236060688,3.3412058272033827,0.6081250253083959,0.0097050477540278,12.660381927696072,5.998183352407351,7.0500052284863,1.3769430588250342,1.827980171147661,3.737894592420533,0.0894806174862696,2.543825111037818,0.6458639272196656,10.9295132054637,0.9331739962849652,1.7688270747140775,-0.0894806174862696,0.2173290563948082,0.5832274949792768,-10.9295132054637,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.731904411277225,7.528476486809603,8.32202865174705,9.105955488777951,9.874594028308792,10.623065997824009,11.34729784827377,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_54,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1559312790387146,0.7793497054051912,1.9667862481645235,3.978615521860145,6.159368794472012,7.665335291334813,8.466297615974083,8.84199644198379,8.983078064000544,3.2231918611834707,0.6011776835505239,0.0097562313288804,12.346348912902611,5.492512658724554,7.029655124874569,1.3740399640797163,1.8355196509635008,3.779711439040371,0.1154141757726612,2.7583653619603594,0.6003427790100783,11.484679125510764,0.6817119612257676,1.2406976197726236,-0.1153473621748853,-0.2417684789499615,0.519542833929549,-11.48257449718082,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1823,6.714904667907383,7.527514472231164,8.331086466452009,9.12074129827169,9.892092063811887,10.64120707087415,11.36471224596708,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_55,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2289223059773756,0.9480889278629786,2.2698424164673137,4.181728611275065,6.029085770784655,7.252323992599931,7.893939687408415,8.193411030605589,8.305662716831813,3.500443808323102,0.7450223602343148,0.0245001086731823,12.681664029646097,6.353532483149917,7.312248697331416,1.863652177318337,2.4611335169694875,5.365801853548462,0.4433063378247137,6.007584219567196,0.2745583939857572,21.171794341341705,-1.971929861277649,-4.389384629580029,-0.4433063378247137,-5.518380563875359,-0.035756042491542,-21.171794341341705,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.194798109180123,9.952438083385037,10.691664542969535,11.408810319926005,12.100459490299995,12.76378965375361,13.396734019104825,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_56,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2206216332538039,0.930481628291446,2.350996785763406,4.531668080402062,6.605137100680506,7.9390227896110845,8.62630227069591,8.944312834219277,9.06307177383867,3.753041456710846,0.726462277459673,0.0238397032214265,15.651044916519048,7.339312547625589,9.015127739104598,1.9963520274837725,2.218897080044284,4.866776557526529,0.4282394602770195,5.64481276226044,0.1844602126002948,19.65927460576181,-2.06349752272591,-4.556855450388629,-0.4282394602770195,-5.489413204942065,-0.1153074095936184,-19.65927460576181,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.55340114910583,10.318130219899508,11.054540529871668,11.762150906453968,12.439880983730994,13.086623321403524,13.7015592935591,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_57,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1108435131839813,0.7603371387901623,2.3760312208243755,4.83455329535638,7.106030734620291,8.550451993293406,9.291609496772558,9.634010534937588,9.761800622111478,3.967702918241916,0.549787398635073,0.004322206426087,17.65944742734472,7.823143825826085,10.37653646297886,2.010472459136519,1.1414612736063603,2.4149512478177546,0.1339821587096775,2.2133185432837803,0.2660340287099574,8.38694954222535,-0.1983603134904147,-0.5333958253112282,-0.1339821587096775,-1.2702175831678346,0.1722465176131832,-8.38694954222535,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.778990587368598,8.561743433092325,9.330183370969914,10.08237424902172,10.815502565452976,11.526446062735497,12.212257985028714,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_58,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2212081318693219,0.9329451716917094,2.345729971545373,4.497636849005064,6.550218408712248,7.876142917687652,8.560906118052127,8.878094828253056,8.996600557798777,3.7292041579301816,0.7284974037898222,0.0238167806226333,15.501001448958668,7.269195146058607,8.941323771783189,1.970901664866943,2.3970956096524505,5.262552402740905,0.4674103778145116,6.136378632168544,0.190313087893131,21.333685604552485,-2.277008168492666,-5.023056014463888,-0.4674103778145116,-6.016291191008759,-0.1368741765770268,-21.333685604552485,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.500189779183154,10.261765960018993,10.995440544043,11.700772065032789,12.376710041645248,13.022156553233792,13.63628117502602,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_59,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2275575336206272,0.9439844619040514,2.278418908712112,4.227283373429122,6.089404422363368,7.308536617499723,7.944088883403863,8.239892950800508,8.350639193994882,3.534228335406824,0.7414533376250122,0.0243682716644732,12.965840784205124,6.494376755607267,7.4329977678998365,1.8888349479877475,2.3920804077743667,5.214858445675265,0.4304684889491471,5.835828319367542,0.2681355730162308,20.56977181785477,-1.9126044817171035,-4.257824497264968,-0.4304684889491471,-5.35635239331028,-0.0331923692481718,-20.56977181785477,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.217790440876728,9.992602778136495,10.745904185212458,11.474336493262218,12.174805637260755,12.844808092822166,13.482583048551886,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_60,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1427720233478283,0.7645088831132242,2.1300200096690447,4.430529183368681,6.756077931569587,8.295024869993883,9.097461381592357,9.47060973250137,9.610238557338908,3.587113679074061,0.5786875940510544,0.0087610933943083,16.203675441796133,6.761882532530581,9.401897606386491,1.6177740858877592,1.5452147256663544,3.1973988300204192,0.1118194852225672,2.439770607446893,0.4892181389039392,9.962463332783114,0.427019873440682,0.7367529115655118,-0.1118194852225672,-0.4675360083398557,0.4109444992481423,-9.962463332783114,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.888930819003305,7.761048193116717,8.60969564617468,9.429712734861669,10.218065337802246,10.972972251255204,11.693439617833358,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_61,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1045298536024704,0.7275344989002711,2.335459011147129,4.9529851042516615,7.491355697306903,9.147468596824908,10.0074736368255,10.406881004379184,10.556270809408591,4.011449859219787,0.5250764015091423,0.0039085294355075,19.60189540964512,8.31098517334534,11.250906435315413,1.931377623256246,0.850295918399442,1.8687184516709312,0.1677213410089394,2.1920666464709577,0.0641334515881036,7.605906412175999,-0.8269174916899525,-1.822076872328106,-0.1677213410089394,-2.168688219761468,-0.0532714871181538,-7.605906412175999,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.53780048069389,8.342775898570169,9.128929246566791,9.895109444054969,10.639314311160398,11.359161635295091,12.052320836098078,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_62,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025041024802632,0.7030979913335639,2.336093608578683,5.215768077386146,8.071779197039776,9.934432325499795,10.898915658854431,11.346047869980984,11.5131507235148,4.164929951280942,0.5087738234260559,0.0037645638911932,22.41593219340137,8.959844284896471,12.974364301778998,1.8917059955679325,0.8773494365497414,1.9306530572984064,0.1754698873099482,2.281108535029327,0.0614144605584818,7.896144928947672,-0.8773494365497414,-1.9306530572984064,-0.1754698873099482,-2.281108535029327,-0.0614144605584818,-7.896144928947672,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.89627644957235,7.765701674105111,8.618283769814944,9.44849280125824,10.251967018021034,11.025264477315003,11.765788818476755,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_63,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1042659148143161,0.7283668449610171,2.345386897037352,4.9752713672137165,7.526180883060103,9.192032555900443,10.05763731084185,10.459770676978415,10.610200281307996,4.029505104555458,0.5252049005017836,0.0038684954790412,19.80900654537405,8.41389467874666,11.37310233776644,1.9432608891388072,0.7733618628485984,1.700724881986021,0.153601246590615,2.0021718355735185,0.0563135888791889,6.9388342460552925,-0.7626506030575518,-1.6793504218886897,-0.153601246590615,-1.991460575782472,-0.0512072837342415,-6.9388342460552925,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.593229856065011,8.392639733495727,9.173747709037974,9.935630612771892,10.676317702889518,11.393353768814048,12.084291783610762,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_64,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1426279599648751,0.7650880848646696,2.136042665786354,4.467250661117084,6.833113130199477,8.400549298963089,9.218183788457695,9.598464614203484,9.74077213057762,3.610807171463688,0.5791154132955325,0.0086898098835256,16.584762657801974,6.831581084989543,9.63635578506796,1.6240697810202729,1.5701776472687186,3.2583263518000303,0.1226344941587788,2.5512536005389497,0.4798394986782984,10.303578119519168,0.3438327056809295,0.5596905378991381,-0.1226344941587788,-0.6372432475893015,0.3939953527671532,-10.303578119519168,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.802543768650576,7.681368985860296,8.537150819414908,9.364347117236411,10.159665281887102,10.9211597014738,11.647741232126856,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_65,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2202147037527935,0.9262748940773824,2.3151768090690683,4.480250427244044,6.623450738980051,8.041960269539628,8.783250306443067,9.12842902300326,9.257671015005103,3.6971940318011343,0.7243282572076134,0.0236758959040063,16.144988758439492,7.492252962946432,9.112181330775549,1.9389271658809248,2.070370102837901,4.555957070540148,0.4140740205675801,5.382962267378542,0.1449259071986529,18.633330925541102,-2.070370102837901,-4.555957070540148,-0.4140740205675801,-5.382962267378542,-0.1449259071986529,-18.633330925541102,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.198335710114137,10.056385391687996,10.864963043101756,11.627099510672972,12.345376132668536,13.021935550397204,13.658623228120524,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_66,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2195081260828749,0.9242645807338502,2.317242622377677,4.487786633090683,6.6294065959724096,8.046381326924607,8.78729325257371,9.13244641684202,9.261706586311098,3.703886551353236,0.7224580555273604,0.0236634769714914,15.929668811413718,7.447244748582679,8.94548818057371,1.9674547657961108,2.0119135438029407,4.427320372642649,0.4023827087605881,5.230975213887645,0.1408339480662057,18.107221894226463,-2.0119135438029407,-4.427320372642649,-0.4023827087605881,-5.230975213887645,-0.1408339480662057,-18.107221894226463,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.180715508911709,10.041780762274811,10.855097847669514,11.62272983800148,12.346630802942338,13.028562330354433,13.670156771741132,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_67,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0972402627011164,0.7040816709207703,2.2780697232508422,4.853777914635265,7.38405061500694,9.047903830628703,9.9149872185852,10.31828650629617,10.469223264005366,3.92314191783701,0.5053895846803743,0.0034111122718198,18.69822196255049,7.955765806858828,10.709059019019248,1.8378683945533405,0.763414847054502,1.668854054418642,0.1419362122535146,1.8989045450826192,0.0735892089639134,6.655798480342803,-0.6559472754806441,-1.4545261030503187,-0.1419362122535146,-1.7914369735087614,-0.0257661396135467,-6.655798480342803,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.580488576930099,8.411196817646958,9.225902313790264,10.021361073032708,10.793814952721933,11.539613214132952,12.255638867102126,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_68,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0979029689235165,0.6817477732185903,2.272659066876734,5.148784441852354,8.043989702608728,9.940787445955973,10.924082851712903,11.380075425855846,11.55050479348455,4.091664771955005,0.4932248081912097,0.0034189315525444,22.08789778521886,8.68103286681426,12.88417138209842,1.7914516763384984,0.9196475064697972,2.018054757253375,0.178422859841645,2.3470303852029573,0.0747002781759752,8.166694729181888,-0.8645810919466533,-1.9082330534491423,-0.178422859841645,-2.2919639706798134,-0.0501957237131761,-8.166694729181888,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.012865978990647,7.918959067708897,8.805218329499725,9.665461019781418,10.49486999818605,11.289798586477476,12.047679806280936,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_69,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0993427700566963,0.7115990074427988,2.304045270836374,4.916634242492256,7.483431717435077,9.17252352380872,10.053320586631806,10.463141576086487,10.616543084227452,3.972703028706071,0.5113600239501138,0.0035656502379753,18.904897060178868,8.131530966165506,10.744235899747656,1.861110170071529,0.7938009940366344,1.6984137415559832,0.1118289144615684,1.6884323097291816,0.1435622277308615,6.20558325941454,-0.3244881505790496,-0.7624396722063492,-0.1118289144615684,-1.2191194662715967,0.0652819876077637,-6.20558325941454,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.125219800474085,7.98486076923661,8.83202009159428,9.66017804276265,10.463817602436285,11.238458648044505,11.980693528986512,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_70,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2159667585870513,0.9213068030143424,2.3282421329293235,4.568041027414659,6.822307001187887,8.3283374604991,9.119005513167014,9.487953462092385,9.626216981392204,3.7525750037313066,0.7187066936957806,0.0226238777343412,16.652389485803713,7.618448909699015,9.427653637335062,1.9647504784936485,1.8510763989357144,4.067031899414725,0.3640485380328827,4.763464703198776,0.1411379887147378,16.536352755336225,-1.7894089813931122,-3.944045485238636,-0.3640485380328827,-4.701797285656174,-0.1136959879082797,-16.536352755336225,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.425481560715658,10.2690986636217,11.06329486036539,11.811845100549764,12.517623794051918,13.182833587604993,13.809270075673716,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_71,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2203430706051215,0.925405744939608,2.3162610070820167,4.4979518699622565,6.6581514220093485,8.088820543177844,8.837130301448598,9.185772937203138,9.316346349081574,3.708584069991597,0.7239492956959754,0.0237285465366836,16.351379590432657,7.556324019152114,9.212497190524717,1.949005510873569,2.070373316757993,4.555964142938436,0.4140746633515986,5.382970623570782,0.1449261321730593,18.63335985082194,-2.070373316757993,-4.555964142938436,-0.4140746633515986,-5.382970623570782,-0.1449261321730593,-18.63335985082194,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.0440300894923,9.918429459389888,10.742755946277477,11.519601878877934,12.251321593486416,12.939976339783,13.58742409220844,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_72,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1557634868124716,0.792998107792372,2.0424663612288416,4.106558732958836,6.3243163901551975,7.860107938606485,8.67929377110367,9.064139557673547,9.208755593153874,3.3366096732497925,0.6079199457417857,0.0097026790006406,12.59032685090072,5.979479440567122,7.009535980010686,1.3775663175405377,1.8345867471410373,3.752941022409335,0.0912964524852524,2.564958367023057,0.6453571932984589,10.998862785410235,0.921622222288514,1.743915111316064,-0.0912964524852524,0.1912506024064945,0.5814496765587822,-10.998862785410235,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.734882004214494,7.532876996638857,8.327657632245371,9.112642446449165,9.882175438799566,10.631382626391211,11.356197479389404,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_73,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1561094121340303,0.7795663891805632,1.9654243086021528,3.976987688918974,6.16076230143125,7.670084756248318,8.473150628462225,8.849902517033426,8.991389876494813,3.221225929250988,0.6014878721927397,0.0097746550048656,12.34434116897872,5.482009636645983,7.0394161239853785,1.3737182691913283,1.82838615968122,3.76383124785482,0.113858556458792,2.7392546113515563,0.6001470476979078,11.419101927581943,0.6898005950932993,1.258314506529742,-0.113858556458792,-0.2210678565770372,0.5204460581767534,-11.419101927581943,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.713081293076401,7.526999640178628,8.331615058558928,9.122035784970274,9.893902382667113,10.643326790729446,11.36698115653198,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_74,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2288027741630214,0.9478158933837184,2.271082393715058,4.186132670231386,6.033986518590333,7.25632772681799,7.8971800564751025,8.196237462866952,8.30832532662113,3.503979535079987,0.744765361483863,0.0244795740096709,12.704834146918248,6.365193423041015,7.326110240925825,1.8673604483306008,2.4477187424763613,5.33647243188102,0.4408075723851522,5.974179321557579,0.2732899863199939,21.054745160084845,-1.96035698137516,-4.363727418391892,-0.4408075723851522,-5.486817560456377,-0.0352753143496122,-21.054745160084845,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.14939174908699,9.90952064439358,10.651623593806992,11.371787853880212,12.066432802384243,12.732633974117704,13.368267321186432,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_75,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2207071019951319,0.9308668440609372,2.3505149919197703,4.5296731344691175,6.603406888247875,7.93825964375398,8.626241428695154,8.944619238456204,9.063521852252846,3.7513927593816834,0.7268026078059877,0.023824002047835,15.648970909150911,7.332818855127444,9.020825538596828,1.9946681515308429,2.2238967771610314,4.877517656435632,0.4289862551328589,5.655786818223903,0.1852848374625483,19.69920898846233,-2.065965774167557,-4.562547960615597,-0.4289862551328589,-5.497855815230428,-0.1150055411304525,-19.69920898846233,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.518564361880058,10.283259435677056,11.020212950594308,11.728737694320904,12.407606658722258,13.05561299593287,13.671872720226569,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_76,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.110962149371342,0.7608889053000749,2.3775986909922686,4.836215383802855,7.107156476739975,8.551289248073616,9.292349437388932,9.63471940149068,9.762500254802248,3.969482515455873,0.5501949086047196,0.0043300336514519,17.658986011200135,7.830294846578951,10.37537753576134,2.01375712011626,1.1379373870153824,2.406869905037169,0.1329606304033906,2.201622430242508,0.2663738013293476,8.348899543144723,-0.191668917018524,-0.5189979065172516,-0.1329606304033906,-1.255353960245649,0.1733013600469742,-8.348899543144723,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.767513176080877,8.549581174449553,9.317501100157148,10.06933450829037,10.802256190354104,11.513127122493051,12.19898147850362,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_77,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2212712602080131,0.9329983464531286,2.3462829377737244,4.49996588999034,6.5534909525084775,7.879445465062041,8.564052914672695,8.881131899222984,8.999590691969324,3.7309303166263663,0.7285601097172753,0.0238380139261836,15.51043063808554,7.274507034854714,8.946964410976356,1.9736484606816425,2.380904714635481,5.22693447897012,0.4641828511235083,6.094367523623547,0.1891597521562107,21.188180595647573,-2.260923796599602,-4.9876505350852645,-0.4641828511235083,-5.974386605587667,-0.1357682436302446,-21.188180595647573,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.484592499427611,10.245458328390129,10.979172010326044,11.685035899321957,12.361805021057764,13.00824268681727,13.62342388352046,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_78,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2276728300288094,0.944432910194126,2.2773373541698145,4.221163053911896,6.079394336258139,7.296973698929959,7.932030199419215,8.227673784114103,8.338371126259455,3.529921251207986,0.7418482069492414,0.0243606884748103,12.926122595212426,6.477357650538505,7.41714391962874,1.886720512048005,2.390899693347982,5.212445913312537,0.4304139049141203,5.834210932660944,0.2676716494208585,20.56277656502232,-1.9132393557932208,-4.259035879553234,-0.4304139049141203,-5.356550595106182,-0.0336180840190253,-20.56277656502232,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.190700605749049,9.96356901695072,10.715897048501173,11.44404801964706,12.14471857743874,12.815252886341856,13.45378076433215,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_79,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1428735828803442,0.7647593753264227,2.129469942732708,4.431894446797002,6.761423486415022,8.30335869293283,9.10739560545605,9.481292986229326,9.62120258433746,3.587398430114148,0.5789769004249743,0.0087608575034619,16.233766933574117,6.75688234513132,9.427771646646375,1.6174604458806172,1.5483359841969413,3.205455064313295,0.1135965117465634,2.457108078169448,0.4872539076510298,10.013610155915975,0.4123708667313073,0.7057047531440588,-0.1135965117465634,-0.4964012272411999,0.4077363494284354,-10.013610155915975,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.863925451379842,7.739887699029762,8.591448952479864,9.413698758800454,10.20378820709126,10.96007100753588,11.681650503042905,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_80,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1045011824485793,0.7276356547896352,2.3360335546668143,4.952568909125107,7.490227081006065,9.146414462943731,10.006634259938274,10.406180828135875,10.555628969145262,4.011462448966921,0.5250923466597248,0.0039050020791174,19.59998098304145,8.315187500022423,11.253009735570696,1.9320354815604976,0.8427253961889692,1.8525494537835885,0.1666832082943763,2.17619106254398,0.0627001124030242,7.547291146832374,-0.8241066867547945,-1.815401220002477,-0.1666832082943763,-2.157572353109805,-0.0539781334030391,-7.547291146832374,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.564969517033128,8.370004491297134,9.155921394397078,9.921650312712549,10.665248042810154,11.384376911942466,12.07674087685952,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_81,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1024423313531093,0.7028406675582164,2.335593719891546,5.215029428131464,8.070677748149432,9.933070699290807,10.897420647400264,11.34449196181387,11.511572241944029,4.164294362121255,0.5085699270060022,0.0037611621826874,22.4096358023028,8.957481131845503,12.971402253028018,1.8915640869656885,0.8716759312986597,1.918168213971128,0.1743351862597319,2.266357421376516,0.0610173151909061,7.845083381687938,-0.8716759312986597,-1.918168213971128,-0.1743351862597319,-2.266357421376516,-0.0610173151909061,-7.845083381687938,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.910984787344875,7.78031348110917,8.632617369798572,9.462431543352205,10.265438931928198,11.038228181500097,11.77822391544242,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_82,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1043140589007199,0.7283094783633601,2.3440670213898254,4.972633032801044,7.523233246969339,9.189231040376049,10.054994205050244,10.457217755884844,10.607683626842295,4.027200821956921,0.5252383450226423,0.0038726111065548,19.783485778573663,8.399869344958,11.361722217999834,1.942402897881105,0.7811563249574676,1.717561941844507,0.1548544642475461,2.0199920389378363,0.0574349163706144,7.00287090973826,-0.7673883175179935,-1.690091068244154,-0.1548544642475461,-2.006224031498362,-0.0509632086026677,-7.00287090973826,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.589464039080074,8.39027175465472,9.172517503420687,9.935281893473208,10.676620814952656,11.394115758009214,12.08535806006093,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_83,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1428516455183066,0.7655969341934802,2.1356519345129565,4.461893642805218,6.821789061815348,8.385169635459128,9.200671890040482,9.579957435779916,9.721891912830351,3.607481778896875,0.5795679942891346,0.008722022357644,16.522474228837066,6.819963731272865,9.599248463812884,1.6242802306163429,1.5642417805033917,3.244775038840767,0.1209714919698002,2.532013716261793,0.4803558437363787,10.240638741912964,0.3545268608053891,0.5827344528694879,-0.1209714919698002,-0.613245074953013,0.3956757993575186,-10.240638741912964,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.821588312889873,7.696945076895051,8.549465352239944,9.373662122404308,10.166273927242688,10.925366878676218,11.64984880697758,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_84,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.220347355505098,0.9263572145778034,2.3140616550422424,4.477136428861997,6.617654686817092,8.034094794076042,8.774250013229047,9.118892317228104,9.247932468111149,3.694873388664708,0.7245016775570474,0.0236989640515438,16.12707080769468,7.485379773395491,9.102579386683736,1.938611900701445,2.0683613481077905,4.551536701301295,0.4136722696215581,5.377739505080256,0.1447852943675452,18.61525213297012,-2.0683613481077905,-4.551536701301295,-0.4136722696215581,-5.377739505080256,-0.1447852943675452,-18.61525213297012,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.15403974726658,10.016407070449436,10.828809458388813,11.594307594908717,12.31553322868368,12.994682913783068,13.633652342076813,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_85,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2195138326963232,0.9243985099561604,2.3181532499201607,4.488371033403021,6.628941426073951,8.045039632424123,8.78544514533064,9.130351546617415,9.259517549062355,3.7047268400103386,0.7224984755480205,0.023675900184436,15.93098757025896,7.451466997555738,8.944779905542244,1.9683550166656845,2.011094786960627,4.4255186556357815,0.4022189573921254,5.22884644609763,0.1407766350872437,18.099853082645645,-2.011094786960627,-4.4255186556357815,-0.4022189573921254,-5.22884644609763,-0.1407766350872437,-18.099853082645645,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.194205925345813,10.054741585232328,10.867363459995648,11.634225965541248,12.357341576335324,13.03850712022755,13.679374713248956,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_86,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0972066003704067,0.7038072559286414,2.2767655697742244,4.8503036122938985,7.3783474008812595,9.040971551625816,9.907520118606376,10.310597272268293,10.461455332356577,3.920507846975904,0.5052181172278647,0.003408520354198,18.67500782952232,7.943870106595745,10.695665238990616,1.836195505424146,0.7715033615277281,1.686005899561982,0.1429260341792587,1.9149116349617976,0.0753326817937288,6.716037491223814,-0.657756980264859,-1.459155804090379,-0.1429260341792587,-1.8011652536989284,-0.0247155421317521,-6.716037491223814,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.587557309533845,8.418487192670025,9.233294799483588,10.02875203984045,10.80111973143203,11.546766230032867,12.262591981505144,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_87,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0978271612369376,0.6814992369782261,2.272063868335509,5.148281010509792,8.044579936927862,9.942450759201447,10.926384859256023,11.382690038805547,11.553238740441682,4.090988464654069,0.4930126678302152,0.0034141881872969,22.0938760296606,8.679865276389046,12.88991622753437,1.7900811654612965,0.9170592499577852,2.0124655867310306,0.1780084301585062,2.3411266912258344,0.0743255596840153,8.14546485295905,-0.8630250516272764,-1.90470248329058,-0.1780084301585062,-2.287092492895326,-0.0502803414269388,-8.14546485295905,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.029981264406754,7.937187474901001,8.824212344172672,9.684929334414372,10.514567746339427,11.309522286008937,12.067263467707408,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_88,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0992569881125672,0.711631062246809,2.3067218077052987,4.925045185721053,7.497473695799995,9.190238691726211,10.072942974467068,10.483649521456607,10.637382204445988,3.9790262915329935,0.5112715099406535,0.0035577488398735,18.96829064443828,8.165985483224707,10.7732414402567,1.8637700879174373,0.7863083440701555,1.6821132866560735,0.110512255613194,1.6704063889757077,0.1426967338364804,6.141786832614658,-0.3188142120617845,-0.7497663644851791,-0.110512255613194,-1.2029122569673365,0.0653381549072447,-6.141786832614658,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.103292946215708,7.966515078821718,8.816575936581854,9.647129665323332,10.452773605136407,11.22910596493596,11.972775520253691,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_89,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161687866916273,0.9215208745589454,2.328809213138827,4.571442447604003,6.829198522984352,8.337774690289054,9.129859352677247,9.49948872846974,9.638011054550962,3.754816442386006,0.7189613890423976,0.0226760238374474,16.682276005302906,7.633930307666859,9.437159288635058,1.966974080479662,1.8367911821162093,4.035678897166626,0.3612713776909667,4.726962203643942,0.1399882428711507,16.40938346440038,-1.7759225947934567,-3.914285630039494,-0.3612713776909667,-4.66609361632119,-0.1129017215125257,-16.40938346440038,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.417044807325624,10.262376011154494,11.05801570627398,11.80778109255948,12.5145782367719,13.180635214138366,13.807769075376951,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_90,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.220303153856387,0.9255168431308616,2.3167260675455648,4.498775403916913,6.660594901348194,8.092827897737447,8.84204549178448,9.19112509912872,9.321863982048685,3.7091383122690953,0.7239773948105543,0.0237156504243457,16.35359757731574,7.558068502269953,9.216246388740949,1.9493554250033955,2.060780995503591,4.534855741217418,0.4121561991007182,5.358030588309337,0.1442546696852512,18.54702895953232,-2.060780995503591,-4.534855741217418,-0.4121561991007182,-5.358030588309337,-0.1442546696852512,-18.54702895953232,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.041212766715452,9.914876522374591,10.7384871703124,11.514705968809324,12.245913915345543,12.934175628194454,13.581340684868476,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_91,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.155875290593995,0.7932948343138214,2.0435204601133057,4.114093589659312,6.342244877597788,7.885803395479644,8.709172388225022,9.095982111994374,9.24133531726709,3.341133533073818,0.6081870648128909,0.0097139545640247,12.659626823021869,5.998034426650998,7.049445759157631,1.3769372273473162,1.8279888983223385,3.737883536040053,0.0894530354585726,2.54361318199092,0.6459188705255638,10.929005200783145,0.9334585437366122,1.7694229751957242,-0.0894530354585726,0.2178342600680312,0.5833017457045632,-10.929005200783145,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.731103596259429,7.5277723878011455,8.321400502510665,9.105387422360034,9.874074086271625,10.622585250488235,11.34684965831971,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_92,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1559655236309859,0.7794707718774403,1.9668837203635663,3.978614112314159,6.159299401247839,7.665235191800273,8.466185029312047,8.841878770559319,8.982958600981867,3.22322324315762,0.601284262293443,0.0097575421797835,12.34602031682678,5.492602669634687,7.029386388040098,1.3741044420914583,1.8352463682076376,3.779106313022669,0.1153554826638774,2.7576186854105647,0.6003307084676114,11.4821289523235,0.6820283587889286,1.2413901159603102,-0.1152881192198643,-0.2409839111321239,0.5195717660862952,-11.480007003837086,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1823,6.714206308060946,7.526972769926677,8.330666785943755,9.12041574642193,9.891838529902577,10.641008268806878,11.364554820752716,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_93,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2289238800633466,0.9481060005495758,2.269911168781341,4.181861573020732,6.029255061222694,7.252506280190678,7.894126009734291,8.193598664255267,8.30585075408398,3.5005571288745805,0.7450335673235394,0.024499858734443,12.682243482936896,6.35401443431553,7.312401108154841,1.8637672167114807,2.4610067560042954,5.365524665005664,0.4432826818349514,6.007268210683908,0.2745465244316331,21.170687416720504,-1.971820062345219,-4.389141255766998,-0.4432826818349514,-5.51808151702483,-0.0357513528528325,-21.170687416720504,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.195492201617112,9.953056615293304,10.692222244520616,11.409319032286785,12.1009284022413,12.764225745710824,13.397142533836584,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_94,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2206237726944223,0.9304968294540308,2.351033661185409,4.531689952448345,6.6051304191724585,7.938997978364438,8.626268758139481,8.944275477784362,9.0630330133006,3.753072148528507,0.7264726963094745,0.0238398611129325,15.650907399634196,7.33941804240986,9.014974105938514,1.9963966576648111,2.2190957854383786,4.867213440241753,0.4282788339130773,5.645326456742998,0.1844748109330583,19.66105560545344,-2.063692553692395,-4.55728500500915,-0.4282788339130773,-5.489923224997014,-0.1153203728060955,-19.66105560545344,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.554419642527314,10.31900784224504,11.055301614220634,11.762815780170316,12.440466231881052,13.087142323280336,13.702022798896524,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_95,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1108602800825348,0.7603782391352704,2.376017800176069,4.834462719887306,7.105906901199031,8.550321476055503,9.291478947924867,9.633880648610171,9.761671085821298,3.9676343042560087,0.5498280477839876,0.0043231615363635,17.658881037935316,7.822831921300137,10.376441197756945,2.010464139985547,1.1415197640088248,2.4150779964070974,0.1339919093686307,2.213455038957871,0.26604300795263,8.387437007416738,-0.1983993296774826,-0.5334836450424936,-0.1339919093686307,-1.2703346046265287,0.1722486713945885,-8.387437007416738,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.779696291162421,8.562345074733136,9.330693339966391,10.08280463103227,10.815864505607358,11.526749524386792,12.212511706204785,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_96,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2211847508632676,0.9329187564318892,2.345743973755341,4.497690202892985,6.550291444582042,7.876224332907997,8.560991024783137,8.878181197616307,8.996687450773498,3.72924659195178,0.7284675845920217,0.0238106462251331,15.501130935689902,7.269325009538266,8.941310669552735,1.9709470561723104,2.3968307414975007,5.261988055584859,0.4673753564750263,6.135833593297713,0.1902608865757133,21.33166083698804,-2.2769228232527627,-5.022849698833465,-0.4673753564750263,-6.015925675052973,-0.1369018629568047,-21.33166083698804,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.501501112917184,10.262911557426332,10.99644328786916,11.70165197780238,12.37748437097423,13.022840050613214,13.63688641686362,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_97,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2275293643683137,0.9439406511804812,2.278422088247425,4.2273671427793165,6.0895410611724445,7.308696956935968,7.944258898654302,8.240066928284916,8.350814572406849,3.534286192978378,0.7414087248178447,0.0243624029596386,12.966356251463006,6.494502400499014,7.43322303517852,1.8888191971097623,2.3920598216207707,5.214815679345874,0.4304668498873781,5.835794620719795,0.2681289278306837,20.569636105851416,-1.912608677253009,-4.257831195187823,-0.4304668498873781,-5.356343476352033,-0.0331978670904806,-20.569636105851416,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.218286392015331,9.992996974566193,10.746210146666735,11.474567025719212,12.174972411492966,12.844921486502445,13.482652129855696,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_98,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1427779383752526,0.7645606224238082,2.1301220417488462,4.4306767299828085,6.756272717390084,8.295254218910904,9.097709690238371,9.47086705394774,9.610499281514084,3.5872452784829214,0.5787275127331581,0.0087595502254638,16.20432437282523,6.7622608546709415,9.402311607961389,1.6179296741192983,1.544864775718712,3.1966407831271724,0.1117610929625409,2.4389535194190395,0.4891740454514215,9.95954573784438,0.4272538460933024,0.7372798167181183,-0.1117610929625409,-0.4668348976070249,0.4109412803776429,-9.95954573784438,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.888517392744118,7.760749640919751,8.609497948902463,9.429601607163212,10.218026996490137,10.972993953825128,11.693509966443736,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_99,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1045468519897048,0.727596292863447,2.335502599158482,4.95291273378882,7.491165590951935,9.14720714874254,10.007177165240323,10.406568740119486,10.555952714783826,4.011421985623412,0.5251296058441499,0.0039093815916745,19.60121542960368,8.310788380708052,11.250617865173323,1.9314432534569816,0.8508294364111505,1.8698911548552224,0.1678268190219204,2.193443988586514,0.0641712590510779,7.610683562494162,-0.8274387538080539,-1.8232252676680285,-0.1678268190219204,-2.170053305983417,-0.0533075142642662,-7.610683562494162,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.538697701249648,8.343609366321969,9.129697885621487,9.895815158875129,10.63996068481332,11.359753070755712,12.052862015223,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_100,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.10249953051436,0.7031042683879053,2.336125707101204,5.215822214473369,8.071869999649374,9.934556399185432,10.899059478975806,11.346201373377182,11.513307927768906,4.164975121804048,0.5087751624570357,0.0037637244940046,22.416373477551204,8.960001371191709,12.97468041023365,1.8917450777289555,0.8772408351858659,1.930414074349928,0.1754481670371732,2.280826171483252,0.0614068584630105,7.895167516672795,-0.8772408351858659,-1.930414074349928,-0.1754481670371732,-2.280826171483252,-0.0614068584630105,-7.895167516672795,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.896483012468429,7.765845953060051,8.618368430362644,9.44852311764202,10.251949509180523,11.025206025697676,11.765696128210342,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_101,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1042579037233124,0.7283609719700347,2.3453549717506457,4.975198048411835,7.526101456894133,9.1919613941385,10.057573120750687,10.459710236815518,10.61014131990818,4.029442102475151,0.5251980087742654,0.003867301318071,19.80881040000623,8.41351742096089,11.3731716101733,1.943214913259813,0.7737633335666508,1.7015907374245012,0.1536644976705468,2.003079314931025,0.0563728243741819,6.94210662124419,-0.7628816431388172,-1.6798764393546692,-0.1536644976705468,-1.992197624503192,-0.0511923239952006,-6.94210662124419,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.593246764091754,8.39263120061064,9.173715979944443,9.93557799262198,10.676246576716414,11.393266563189483,12.08419090253664,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_102,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1426129474572217,0.7651026643368692,2.1361459532887253,4.467438370638459,6.833347406747514,8.400806246368246,9.218451205730233,9.598736675561875,9.741045898377356,3.610970836622406,0.5791181133762101,0.008685192396348,16.585241682581948,6.832129659487671,9.636518630803057,1.6242267256155645,1.5695248002792064,3.2568758368676343,0.1224903474855069,2.5494475801632617,0.4798221783098289,10.29743095110617,0.3446213254241371,0.5614120454683621,-0.1224903474855069,-0.635301454459918,0.3940789350699741,-10.29743095110617,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.8029625143668095,7.681764100223298,8.537517410021499,9.364684038384446,10.159973394248128,10.921440848950736,11.647997660154376,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_103,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2201824056386354,0.9262982889528254,2.315320448005227,4.480449794446634,6.623636376036343,8.042122773307408,8.783398587020796,9.128570359434848,9.257809709516287,3.697385675933973,0.7243307833770386,0.0236611302365321,16.145482697532415,7.49285300464604,9.112401825271492,1.939221867035332,2.0697617466435942,4.554618351100055,0.4139523493287189,5.381380541273345,0.1448833222650514,18.62785571979235,-2.0697617466435942,-4.554618351100055,-0.4139523493287189,-5.381380541273345,-0.1448833222650514,-18.62785571979235,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.199029734689772,10.056970348622473,10.865456210700351,11.627515874642302,12.34572834332997,13.022234154494493,13.658876974630251,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_104,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2195933454021028,0.9244328514463328,2.3173388912646304,4.48772075625886,6.6292280347308346,8.046151243424537,8.78704211274721,9.132186682204004,9.261443819898632,3.703874315838528,0.7226183602585345,0.0236784097406568,15.928767714055978,7.447222487424788,8.944960919138824,1.9676036230737468,2.01195476669824,4.427411085767346,0.4023909533396481,5.2310823934154245,0.1408368336688766,18.107592900284164,-2.01195476669824,-4.427411085767346,-0.4023909533396481,-5.2310823934154245,-0.1408368336688766,-18.107592900284164,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.181623493628477,10.042585526136468,10.855813512522143,11.62336927892196,12.347205154194905,13.029080967088497,13.670627486221004,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_105,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0972208028841062,0.7040241413801843,2.2780915963951416,4.853935125857244,7.384314438511417,9.048228773036142,9.91534171868972,10.318654259759484,10.469595899349734,3.923254227650194,0.5053336174950996,0.0034104962376522,18.69993336645202,7.956198361243192,10.710163661174771,1.837868994862485,0.763358123770167,1.668741790501509,0.1419370484868977,1.8988545116653488,0.0735623991647909,6.655531588588791,-0.6560123610988108,-1.45465676871789,-0.1419370484868977,-1.7915087489939927,-0.0257935347760373,-6.655531588588791,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.581202072236113,8.411852587670948,9.226503415028294,10.021912215048747,10.794321286927262,11.54007970810713,12.256070027535625,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_106,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.09789064264939,0.6817229234917566,2.2726468092741383,5.148853137854575,8.044169664554268,9.941046360805204,10.92438355268213,11.38039562235316,11.55083229083106,4.09169843765986,0.4932014041716471,0.0034175950078189,22.089173902951146,8.681129358363808,12.885105787324855,1.7914007351521533,0.919617930797679,2.01799015145972,0.1784174073708002,2.346957189764081,0.0746973403847166,8.1664378014044,-0.8645561429103231,-1.908177674786572,-0.1784174073708002,-2.291895401876725,-0.0501948447748433,-8.1664378014044,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.013048815483997,7.919050297264511,8.805229915299597,9.665405141080434,10.49475827971499,11.289641653566589,12.047487073855107,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_107,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0993604327549877,0.7116727064563187,2.304126442744542,4.916692383844166,7.483502124745157,9.172615090743944,10.053425879554192,10.46325374335018,10.616657895106552,3.972765294802023,0.5114216622963885,0.0035664304009777,18.905386200279587,8.131731799547328,10.744634281498124,1.8612500346923533,0.7937408159778531,1.6982868192074072,0.1118222159455057,1.6883185435418993,0.1435480082123212,6.2051483987993805,-0.3244813434772046,-0.7624191902257391,-0.1118222159455057,-1.2190590710412508,0.0652724570504672,-6.2051483987993805,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,7.1259530197121,7.985472369675395,8.832536041187739,9.660617255700515,10.4641942766695,11.238783723974596,11.980975619459214,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_108,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160678933977072,0.9214721667951572,2.3284112401484527,4.56822954500563,6.8225661465845855,8.328665293589925,9.119374673741312,9.488342973229726,9.626614281662158,3.7527501697157937,0.718864835698048,0.0226486590889824,16.653300532342524,7.619151338406668,9.428200107093623,1.9650126036353768,1.850976445050413,4.066812721680428,0.3640292999041106,4.763210844283298,0.141129580727226,16.535468223334277,-1.7893165539906943,-3.943841317945477,-0.3640292999041106,-4.70155095322358,-0.1136909292056511,-16.535468223334277,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.426262753780229,10.26978065182706,11.063896579569525,11.812381887229886,12.518107782710626,13.183274246297646,13.809674738483796,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_109,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2203538000600587,0.9254306508298836,2.316338488711206,4.498111609666918,6.658396138714154,8.08912460814516,8.837466318869346,9.186124038277876,9.316703130064546,3.708713964578055,0.7239682289985561,0.0237327101069012,16.352346374823913,7.556757797231632,9.213129129272792,1.9491780473628189,2.070197579338968,4.555577423609525,0.4140395158677936,5.382513706281317,0.1449138305537276,18.631778214050712,-2.070197579338968,-4.555577423609525,-0.4140395158677936,-5.382513706281317,-0.1449138305537276,-18.631778214050712,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,9.045530144012972,9.919775596349576,10.743964326402102,11.520687905988224,12.25229935712315,12.94085846387508,13.588221761037772,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_110,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1557290801900671,0.7929896965442682,2.042582578329839,4.106778665662861,6.324582588175188,7.860392771121743,8.679586679577229,9.064436017565155,9.20905335975287,3.3368019420146933,0.6078950744260568,0.0096959753273583,12.591783787346795,5.980130667477288,7.010334744031521,1.3776477279407706,1.8343093259395569,3.752329039276632,0.0912394599905431,2.5642250058639027,0.645342011039748,10.996335829508649,0.921914726034125,1.7445572776655338,-0.0912394599905431,0.1919990461097794,0.5814743890463676,-10.996335829508649,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.73707537265529,7.534774301150838,8.329312266403374,9.11409789601681,9.883466678254187,10.632537606999398,11.357238489528902,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_111,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1561760809152438,0.7796539864586123,1.9655512952765084,3.9773388742957296,6.161356942034353,7.670832284138869,8.473974890564065,8.85076178776503,8.992262139971436,3.2214883415021904,0.6015784801980343,0.0097862806126224,12.346560179035077,5.483063529118129,7.040640831260709,1.3739521595790465,1.8283106938341207,3.763659260829533,0.1138377208576582,2.739012460695387,0.6001525321480748,11.418307886323769,0.6899334852575393,1.2586010177419191,-0.1138377208576582,-0.2207682816037264,0.5204661275477142,-11.418307886323769,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1823,6.71456115680083,7.528287049640014,8.33273282082482,9.123005684039162,9.89474449366338,10.644059123751951,11.36761954663073,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_112,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0974991121227868,0.6162200745997962,1.918726886599163,3.983720728929432,6.001729599868768,7.33329607691408,8.029143696027548,8.353258652584843,8.474635325088363,3.241269517154193,0.4483024852897043,0.0048015307556086,12.885473698506962,4.874287512189591,7.835692039774499,1.2092106938374887,5.56142603901541,12.304068646907307,0.6639759997586208,6.261777316258667,0.7691461972837811,26.997613951329424,0.9671016297115168,2.501223012109205,0.0454788803684113,-6.118343568675029,-0.7117726982503257,1.5405604378028543,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1823,11.163057771822128,11.891075976781153,12.599572781146511,13.284995404930909,13.943781210635322,14.572983323546069,15.170524059222592,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_113,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1035261798817299,0.7145050599529241,2.2490270142116087,4.718908073610753,7.123292494069058,8.697729906417228,9.5166489853459,9.897223790679046,10.039605959155194,3.830107484814147,0.517496116157439,0.0037804356602629,17.39151902838236,7.39873898440828,10.20319401994246,1.791742408406239,1.7466589760867874,3.6387075120558032,0.1493317952173574,2.9413133378256475,0.5326009167825373,10.226612832607511,-1.5318764973414989,-3.2107104666600668,-0.1493317952173574,-2.7265308590803587,-0.4466879252844219,-2.793843178507528,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1823,8.607755981071236,9.498619146608451,10.369820104344072,11.214152171350412,12.02545009998317,12.799012568072325,13.53170940484404,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_114,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975345002192114,0.6159264368409683,1.9181195304735776,3.9857212305170178,6.006835040874714,7.3400938079593505,8.03668178761816,8.36110789448042,8.4825956670065,3.242122166002951,0.4481594844816506,0.0048061635248214,12.903139232857594,4.877983013568923,7.8428122510716864,1.207921921570733,5.516582485571226,12.201807439979724,0.6582851831134493,6.232282404749751,0.7662386642992777,26.814824838966747,0.9323973967800394,2.4212619998687304,0.0418042854602537,-6.084107739561813,-0.7069687982241023,1.414715606899228,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1823,11.140077534961124,11.871679150153728,12.582959008406508,13.27056618699581,13.9310894371274,14.561693674672798,15.160383160826772,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_115,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1032347862307455,0.7134752315465139,2.2479049979881127,4.718895789881466,7.123971626252849,8.698595733257529,9.517547009584144,9.898124227386498,10.040505439604424,3.829707360962963,0.5166382195807278,0.003759444495403,17.399183758234546,7.398096756604783,10.206777045468773,1.7897259668000969,1.7443909408500813,3.6337157045235102,0.1488781881700162,2.935416446210212,0.5324182073317327,10.210736585950569,-1.5290763068995694,-3.204658233450325,-0.1488781881700162,-2.7201018122597,-0.446292353751528,-2.776091637403292,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1823,8.613376601771048,9.505318157559987,10.377592771081408,11.222916643424355,12.03507612805733,12.809345916846755,13.542590154981394,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_116,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975350698528116,0.6163281486370511,1.9189448982519768,3.984059707292877,6.002157180980507,7.333775313555234,8.029648745133565,8.353775523722815,8.475156595046437,3.241570159061564,0.4483927180886005,0.0048050741167622,12.887308576207284,4.875218652539059,7.836656389145267,1.2095829806636018,5.561088942897438,12.303288320972817,0.6639439741177472,6.261841324407095,0.7691287572787264,26.99667002181245,0.966498531610828,2.499873829189951,0.045409781487225,-6.11843765034358,-0.7117672876533203,1.53828394627399,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1823,11.160422402069518,11.888763953703746,12.597525860312423,13.283168827974931,13.942140062823125,14.571499971439517,15.169176326040356,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_117,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1035192514312296,0.7144924916046147,2.249064277601712,4.719019491142163,7.1234528791988,8.69791516127474,9.516845694658455,9.897425548267332,10.03980956507954,3.83019568454406,0.5174818039814653,0.0037798766797775,17.392443831356967,7.399034233146112,10.203794364058451,1.7918104545240914,1.7467806211113404,3.638975272778798,0.149356124222268,2.9416296148894845,0.5326114643231091,10.227464347779382,-1.5320433065627872,-3.2110682260778955,-0.149356124222268,-2.726892300340931,-0.4467165385036878,-2.794712162744828,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1823,8.608240086081569,9.49900193094569,10.370117489709267,11.214377824060074,12.02561585010811,12.799128637729732,13.53178456803448,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_118,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975227567470819,0.6158962004535069,1.918084944548225,3.985722976817529,6.006894745761579,7.340194243119331,8.036803253063608,8.361239019004183,8.482730382076323,3.242106545265988,0.4481324610068693,0.0048050282514934,12.903376908831593,4.87795139987295,7.842996997180457,1.2078201197203189,5.516915722067096,12.20257683514494,0.6583187044256589,6.232268614842533,0.7662570731324119,26.815832454959256,0.9329253503090316,2.4224482815301585,0.0418654098250847,-6.0840845707231,-0.7069834554846386,1.416780450339128,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1823,11.141246659046002,11.872639726083753,12.583749916225528,13.271219187502972,13.93163026236642,14.562143090250954,15.16075790136596,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_119,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1032550088226125,0.7135326126381475,2.247933452661298,4.718838361331543,7.123842270594144,8.698428352776265,9.517362502503762,9.897932338671016,10.040310880196929,3.82968042692543,0.5166908638679291,0.0037606895075195,17.398563852041487,7.397882943930145,10.206659286029792,1.7897897351669945,1.7442775878467658,3.6334661353441446,0.1488555175693531,2.9351217284015902,0.5324067271338896,10.20994311492736,-1.528884165282672,-3.2042516622006767,-0.1488555175693531,-2.7197283058374966,-0.446249358108252,-2.77546540344136,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1823,8.613867724737256,9.505759316462605,10.377985111497484,11.223263543319636,12.035381929064853,12.809615201753918,13.542827356552351,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_120,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0663904215514992,0.3749458898504937,1.4404583362408518,3.699571381008199,6.144784390613856,7.804835353003266,8.679783723098492,9.088526110736384,9.241760320265298,2.8427737402921585,0.2714217344640679,0.0044520423447018,12.507696591665894,4.094772892761119,7.321066377639459,0.6379143692484796,5.43010105965481,12.170905928231727,0.5749932261052431,3.986434803119485,0.8532485263537118,24.12869926558541,3.131682699629656,7.439932799388464,0.4322754514576353,-3.986434803119485,-0.8532485263537118,19.13357715291915,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,15.00549210289354,15.8273983579116,16.55423253464356,17.20105530236135,17.77976015422376,18.299823065476524,18.768900234655163,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_121,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0677981058973604,0.3846905794421287,1.431624248541973,3.489085340463828,5.65983028041359,7.127641795996456,7.901507638879926,8.26323440159285,8.39888505986283,2.7198377564991367,0.2774391962907574,0.0046685213546424,10.846880053065291,3.5837842706680165,6.577974462356774,0.6524533687441837,6.025776638820187,13.210211696331308,0.7119229611793945,8.017435467406845,1.0483345983383252,28.277020763676685,-0.7788330859514819,-1.1920427351434677,-0.0946354843713114,-8.017435467406845,-1.0483345983383252,0.0474751694019816,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,14.45727111776693,15.325585382978202,16.091495621575046,16.77177994650931,17.37961412438415,17.92542233404834,18.41755628707315,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_122,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0676101921276461,0.3841325709672445,1.4479147785442137,3.64534850840788,6.020302589237372,7.636820893146752,8.490333215433344,8.889412438486618,9.039080704930171,2.813850873611869,0.2775161553829438,0.0046104378042584,12.081658272944336,3.977013801431512,7.2276884372181245,0.7023506147363435,4.578896997639281,10.215502349583186,0.4571674477095314,3.2933356937902927,0.7839583576342718,20.423034545433783,2.423545923521475,5.8236528880545615,0.3666493665446753,-3.2933356937902927,-0.7839583576342718,17.254901704663823,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,13.843027276128382,14.773339215080057,15.59434822936693,16.32329196793588,16.973983381604427,17.557519084519,18.08289244191423,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_123,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0672892894319645,0.3925669537532154,1.433447665610814,3.3300151212762032,5.283319718321562,6.6068443003250445,7.307712020480213,7.636161494954729,7.759476547213358,2.6318983235416127,0.2814994815675405,0.004572661812111,9.665530050412253,3.28162931385574,5.865861076480447,0.5832164212227006,6.23274317620128,13.657431942987234,0.7564269905009083,8.672554309818624,1.0639028087568223,29.35791348581145,-1.1163030564822212,-1.938182208546176,-0.1544928587692542,-8.672554309818624,-1.0639028087568223,-2.524281238644244,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,13.38602733658395,14.376560867346363,15.249544535096108,16.02301265069465,16.7117359634316,17.32774356009998,17.880868040078532,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_124,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0817553893304946,0.416672088349575,1.3920291266240183,3.255037263260655,5.211079834779072,6.529200043424442,7.222577844279563,7.546302652449088,7.667639514133374,2.560009919922415,0.3086646290820126,0.006595307165886,12.142119208873366,3.4148209234563907,7.628498288477511,0.4842733463931835,6.761272442011356,14.471570595569718,0.9575389038268224,14.421583672625935,1.213236672289194,33.806362210056776,-6.761272442011356,-14.471570595569718,-0.9575389038268224,-14.421583672625935,-1.213236672289194,-33.22136105782079,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1823,14.190632189659576,15.077457273601093,15.84581601334474,16.517754938324924,17.11088304694804,17.63903094971161,18.11298356276555,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_125,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0812265967961209,0.4145630748806148,1.4145824094365824,3.3562486458502017,5.397049940520454,6.770320894017025,7.491994393454693,7.828764439822572,7.954964214786829,2.63083254156852,0.3065054961280843,0.0065436123452224,12.763001338484916,3.607941546933213,7.990754385299324,0.5239591144249196,6.498025424267509,13.889865060614078,0.9025543521131768,13.718460241172926,1.198936262331275,32.490127121337544,-6.498025424267509,-13.889865060614078,-0.9025543521131768,-13.718460241172926,-1.198936262331275,-30.68867752658484,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1823,14.52533533981942,15.374786281115163,16.111154115019765,16.755761731005443,17.325499828395998,17.83355329153082,18.290154018315786,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_126,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0663766075294037,0.3755147260665264,1.438674515433822,3.689105914306026,6.125744939586238,7.780651594945681,8.653091665685551,9.060707521440603,9.213526615179829,2.8355854056155314,0.2718288684047518,0.0044449937434861,12.4279363346795,4.068655662324904,7.276497857907906,0.6354039978449728,5.427322818796599,12.164847334687993,0.5752292077543074,3.9916946850805104,0.8520814020091703,24.11788319610772,3.12574805851668,7.426034462461435,0.431014424870784,-3.9916946850805104,-0.8520814020091703,19.0703657951844,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,15.084926365006949,15.89026224939502,16.6030094982539,17.238163923510026,17.807363593436776,18.319769815082893,18.78272819478504,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_127,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0678283566294527,0.3841881778845867,1.4285673466561069,3.478131664197054,5.639193045672936,7.100279923603582,7.870595228320616,8.230664643803301,8.365694343010972,2.712092194676368,0.2771408758154684,0.0046765482091295,10.79317524273949,3.562093691492872,6.55546713191361,0.6476019328353488,6.040752983341921,13.241521572117856,0.7150384700741484,8.071657425940167,1.0504035481233334,28.359063257712133,-0.8140982828490897,-1.2698244003489323,-0.1001379170749917,-8.071657425940167,-1.0504035481233334,-0.172110292507772,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,14.359268303215943,15.244664070110458,16.024417102986007,16.71593917036823,17.33292717544565,17.886222029136697,18.38450529403296,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_128,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0675514207918503,0.3849342152777452,1.4486340794633652,3.642411013832352,6.016219541306512,7.6336491668426785,8.488098268450369,8.887711322092562,9.03759465831742,2.8120984845582595,0.2779864872023147,0.0045966777587137,12.058362825128432,3.970114539707353,7.221187279878067,0.7036606643194682,4.583083418527929,10.227867928148733,0.4568147474542807,3.2593382004586724,0.7836462757856838,20.426285493787898,2.4694561115520326,5.926034019513059,0.372895785496303,-3.2593382004586724,-0.7836462757856838,17.489121825258675,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,13.85373806100308,14.77522538299024,15.590176384400404,16.31500465505128,16.96294935331305,17.544707394881677,18.06899183075017,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_129,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0674922975301706,0.393098915650984,1.4354672142812328,3.337174226490821,5.29845161188195,6.628298507018132,7.332707364611976,7.662851835903526,7.786808429030714,2.6367990293675683,0.2819223071040145,0.0046015133900346,9.6850558371029,3.288868444002816,5.888215374150542,0.5914206473562462,6.201978547171724,13.59233759689982,0.751218086706075,8.586938704846938,1.0588965146842146,29.19750046787193,-1.0668671212094294,-1.830321076253374,-0.1470873307105109,-8.586938704846938,-1.0588965146842146,-2.2431891417085774,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,13.344931577488214,14.338092224763932,15.213418013952271,15.988992728330528,16.679630169334164,17.297393885406255,17.85214273570852,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_130,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0818111431937819,0.4166157298255843,1.386886420739693,3.2350566272978867,5.175488205557012,6.4835838195477,7.171854974959063,7.493233689408914,7.613697321815947,2.5457039859238333,0.3087405935641986,0.0066030825699935,12.034361511291465,3.378532027697983,7.562509253258855,0.4737551463837178,6.5018450156699314,13.918668632918685,0.9230925597317768,13.886585493524144,1.1624233708841245,32.50922507834966,-6.5018450156699314,-13.918668632918685,-0.9230925597317768,-13.886585493524144,-1.1624233708841245,-32.10725410287472,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1823,14.772476019773787,15.596613194769468,16.310112120076905,16.934322172524052,17.485987518817776,17.97807890677162,18.42059795475152,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_131,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0810473666178829,0.4139956464495304,1.4213842997334756,3.3841427523333945,5.445218096791235,6.830563638505833,7.55812464696709,7.897542387476466,8.02471864186088,2.6508784803974828,0.3058892064851655,0.0065228793443791,12.92447064910782,3.665055218976582,8.080288373909129,0.534464747974381,6.424563469857774,13.72845076194776,0.8880994541636803,13.529359103167211,1.193285747519278,32.122817349288866,-6.424563469857774,-13.72845076194776,-0.8880994541636803,-13.529359103167211,-1.193285747519278,-30.04414444216875,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1823,14.122343139465649,15.01666736637973,15.791980512848944,16.47028433204894,17.06918586651092,17.602534273866073,18.08114377756868,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_132,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664398248220397,0.375032776912432,1.4404752339163924,3.699494195269432,6.144660180550116,7.804693182066551,8.679634730082702,9.088374405092363,9.241607666369587,2.84272351907364,0.2715085146520075,0.0044587949292374,12.50725929523258,4.094527625894344,7.32090588670103,0.6379163352476508,5.429816059707864,12.17022707349984,0.5749592103584141,3.986486174694999,0.8532336022406355,24.127578514599232,3.1311056614557207,7.438637148451798,0.4322080509549488,-3.986486174694999,-0.8532336022406355,19.131287935477943,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,15.01385008785525,15.83489313650991,16.560957256504757,17.207099654778187,17.785206158170368,18.3047437189501,18.773359541327327,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_133,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0678212948747182,0.3847165112164308,1.4315950511203983,3.4889914573827423,5.659683747419535,7.127464511733992,7.901315509691388,8.263035639464425,8.398683859278375,2.719765320903228,0.2774706522451126,0.0046718279942368,10.84663320666094,3.583532510055821,6.577879957290056,0.6523333524344023,6.025615792310784,13.20978629894135,0.7118992109854498,8.017731389385428,1.048358977252172,28.27653991614945,-0.7795884969980968,-1.1937160335007064,-0.0947195291839573,-8.017731389385428,-1.048358977252172,0.0448840102201883,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,14.449585502346824,15.31868543534301,16.08528611979179,16.766174748477177,17.37453765552938,17.920809238433392,18.4133503896396,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_134,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.067587400113852,0.3840828844607258,1.447823143494901,3.645184198204739,6.020093261457428,7.636594925369221,8.490101898357883,8.889179318839673,9.038847016191934,2.813710063170955,0.2774712333540555,0.0046073356670513,12.080960586085045,3.97649787805427,7.22742618795419,0.7022421393566138,4.578626395105723,10.214861825655436,0.4571503823979048,3.293600716977757,0.7839238488541388,20.42201760687301,2.4228643160851493,5.822112366924499,0.3665544071539624,-3.293600716977757,-0.7839238488541388,17.251158473335025,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,13.837506273365143,14.768410027643524,15.58992534446754,16.31930374350624,16.970370336920233,17.55423184629248,18.07988985668108,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_135,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0673068044037124,0.3925769660889926,1.433387199785605,3.3298798495124786,5.283146387885399,6.606658368525332,7.307522460045913,7.635970837865171,7.759285569863818,2.631784863694637,0.2815173963801816,0.0045751945333462,9.665256386515711,3.281205719927626,5.865792967655863,0.5830756967739047,6.232320020347034,13.656462892432904,0.7563798488276714,8.672371547304268,1.0638513791265207,29.3561064699031,-1.1167547301561738,-1.9392169624879696,-0.154548638216982,-8.672371547304268,-1.0638513791265207,-2.5263905766597725,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,13.380477562113368,14.371595942775665,15.2450825110332,16.01898350811517,16.7080809045415,17.324413490325814,17.877821944387247,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_136,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0817259072058024,0.4166398625451611,1.3919371524705029,3.254733402483294,5.210593398972081,6.528615162996031,7.221947490238529,7.545652358027159,7.666981943333967,2.5597828770338933,0.3086293785116678,0.0065901071540788,12.140937515638804,3.4142268193469127,7.628038379054871,0.4841458010236301,6.758516145747355,14.46570863900219,0.9571849187105568,14.41599549543181,1.2126745265802137,33.79258072873678,-6.758516145747355,-14.46570863900219,-0.9571849187105568,-14.41599549543181,-1.2126745265802137,-33.210363581002184,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1823,14.18752724288605,15.074771189444755,15.843478462491309,16.51570787574399,17.109079073516646,17.637431481751182,18.1115571637094,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_137,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0812667042084786,0.4146186422004867,1.414684841634156,3.356494314266048,5.39744275953756,6.770806672130348,7.492527137731838,7.829318683721232,7.955526449327664,2.63102387627945,0.3065607199107658,0.0065506105101386,12.764436525868016,3.608412368497072,7.99146855905517,0.5239678043452709,6.497494763587909,13.888694172227318,0.9024451862748772,13.717056253786929,1.1989044172905037,32.48747381793955,-6.497494763587909,-13.888694172227318,-0.9024451862748772,-13.717056253786929,-1.1989044172905037,-30.68368922130187,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1823,14.532213093761284,15.380913271640305,16.11663162347689,16.760678242583705,17.3299311598747,17.837563804643032,18.29379815772348,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_138,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0663273820192155,0.3754304682409301,1.4387392211495895,3.689313454052877,6.125938239731237,7.780792979165137,8.653198300342783,9.060796691294282,9.213609066966102,2.835765284173501,0.2717412747781292,0.0044383411184191,12.428913489512324,4.0692923803686005,7.276874389245964,0.6354279144727691,5.428259875164341,12.167024760401,0.5753515805691919,3.992138154515362,0.852152062095556,24.121832193220445,3.126897142205888,7.428635358342423,0.4311374802978938,-3.992138154515362,-0.852152062095556,19.07433868372501,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,15.056616215325535,15.865306500388328,16.58092369232145,17.218532003951353,17.78983374998974,18.30404657909595,18.76856389206972,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_139,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0678192902771793,0.3841523823947668,1.4284860594062954,3.4780632616518043,5.639173616883432,7.100294308840628,7.870626115497019,8.230702836663006,8.365735203970035,2.71201144073778,0.2771137369639564,0.0046753569290676,10.793422355210293,3.561834150281883,6.55570405524271,0.6475370184429813,6.041076747794555,13.242282909376762,0.7150826758639481,8.071769165268938,1.0504192601129425,28.36039924425417,-0.8136206794251841,-1.268750197651432,-0.1000878442910811,-8.071769165268938,-1.0504192601129425,-0.1705689611718542,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,14.395032416600287,15.276495641827792,16.05283624598905,16.741408098808776,17.355844661547614,17.906927499744416,18.40328615791065,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_140,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0675924639534993,0.3850508182353728,1.4489091126215528,3.6428777219688016,6.016834132573015,7.63435311738649,8.488847577886451,8.888481535132364,9.038372667916793,2.8125033400274715,0.2780820186810639,0.004602222409821,12.060738841218598,3.971333094901262,7.2224054702276606,0.7039401663109695,4.583121115967135,10.227996949517632,0.4567929776853957,3.258585855423588,0.7836544704076985,20.42616603882232,2.470290916904043,5.927903473229375,0.3730202026523899,-3.258585855423588,-0.7836544704076985,17.494118912667105,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,13.858537333905865,14.779465477494243,15.59395925526558,16.318407606614755,16.96603179524517,17.547515762506766,18.07156306877884,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_141,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0675474034760048,0.3932585448912159,1.435835424594958,3.337856811464196,5.299446183492578,6.629500717308795,7.334018136276177,7.664213132002511,7.78818863543916,2.6373683320047947,0.2820528749091528,0.0046089593059767,9.688170311542567,3.290476314103252,5.889874997779514,0.5917949485853692,6.2019637932686935,13.592368726264633,0.751201339977217,8.586161995107068,1.0588719914467082,29.197112707353792,-1.0659627261312612,-1.828314474918415,-0.1469659203139897,-8.586161995107068,-1.0588719914467082,-2.2387414028384423,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1823,13.344008602118446,14.337134390415027,15.21247174185413,15.988083863714118,16.6787717434222,17.296591186776165,17.85139652252658,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_142,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0817901048822167,0.4165562355610219,1.3868544514021002,3.235117407271678,5.17563797382389,6.483790022082566,7.172090086600177,7.493482148649133,7.613950761591706,2.5457309792462817,0.3086874374393563,0.0066001210690442,12.03485548492519,3.378537555727308,7.562792916113474,0.4736724445453947,6.504481718458611,13.924294698700349,0.9234490780975751,13.892074343239214,1.1629277837276182,32.522408592293054,-6.504481718458611,-13.924294698700349,-0.9234490780975751,-13.892074343239214,-1.1629277837276182,-32.11902687453721,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1823,14.768243258993891,15.592751334167389,16.306564006200592,16.931044226557592,17.482945679620478,17.975245959118553,18.417951712396817,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM1823_143,RSM1823.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0810114112818433,0.4139106749013085,1.4212007081456917,3.383728226395193,5.444590471000933,6.829813473611667,7.5573160147005,7.896707749045685,8.023874458370226,2.65054873409476,0.3058143948157574,0.0065172749626795,12.922440203044076,3.664072718239273,8.079185757332377,0.5341399933073342,6.4252050685860445,13.72986183334691,0.8882269789365825,13.531020900078705,1.1933326861672418,32.12602534293022,-6.4252050685860445,-13.72986183334691,-0.8882269789365825,-13.531020900078705,-1.1933326861672418,-30.049863182630563,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1823,14.116805130762458,15.011660766258872,15.787453333314756,16.46618412740322,17.065463558725796,17.599145650828248,18.078049815031765,[Mn].[O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1ccc2c3c1c(ccc3C(=O)N(C2=O)c1ccncc1)C(=O)[O-], nodes [Mn], topology sql"
RSM0011_0,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0074421895211695,0.2204939063741844,1.0692970322730402,2.564113726995395,4.142402785312493,5.232489860874279,5.814594064145909,6.088327514508486,6.191239921955989,2.0110271397694204,0.1308133681854648,1.7361157677730632e-05,5.906720396899297,1.8218706838735088,3.857242804889128,0.3566858958771745,20.198970801355856,43.09081741768404,2.0,5.801029198644146,1.4414579933966454,57.00514599322074,-20.198970801355856,-43.09081741768404,-2.0,5.801029198644146,1.4414579933966454,-57.00514599322074,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-22.0,-46.6827,-2.0,4.0,0.6399999999999999,-58.0,RSM0011,17.977873850901553,18.407159211538616,18.75351090556045,19.036228424739743,19.269515151884544,19.46394421408472,19.62748050949916,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_1,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0039235174749869,0.2094029194029218,1.3144670871903708,3.217243967039404,4.974508414131335,6.086041961910515,6.655162374387931,6.917879528959276,7.015902121603165,2.5436946425926057,0.1125963098244346,3.765623280708787e-06,7.763517924463231,3.0289015267089185,4.4587688039137845,0.5032669258046699,20.01309430004044,42.72011461728564,2.0,5.986905699959557,1.5241730364820032,57.93452849979777,-20.01309430004044,-42.72011461728564,-2.0,5.986905699959557,1.5241730364820032,-57.93452849979777,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-22.0,-46.6827,-2.0,4.0,0.6399999999999999,-58.0,RSM0011,17.940165340549967,18.40426257162551,18.7715062644504,19.066477100459185,19.30660689639273,19.504473806981103,19.669305210710785,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_2,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412785343054656,0.4745904212171314,1.2615105314223944,2.7711505195330144,4.380746450653902,5.470119613044942,6.043642080776831,6.311441823107074,6.411818056090462,2.203876222567001,0.3796343183638278,0.0203216313146352,8.141191017587683,1.8543091232587203,5.420275526230363,0.1788451290250104,4.554096054000258,9.867633823744043,0.76155649164279,10.646547987142576,0.5986543221998827,30.538474144994016,4.554096054000258,9.867633823744043,0.76155649164279,10.646547987142576,0.5986543221998827,30.538474144994016,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0011,3.380034532280174,4.052057189894033,4.742022823503741,5.43355787198639,6.114002882656146,6.774341087972793,7.408736459441255,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_3,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426740630743999,0.4773120852977738,1.266413117797996,2.7762518900508097,4.3829534421184855,5.469254694427964,6.0408964961695055,6.307765414650842,6.407784758595739,2.20933636714743,0.3819872282285158,0.0207174422321049,8.148530034571206,1.865052462690992,5.418701550735609,0.1807798013932766,4.551677293913358,9.862413261410984,0.761171715400314,10.64105101711587,0.5982994294158556,30.52363360845518,4.551677293913358,9.862413261410984,0.761171715400314,10.64105101711587,0.5982994294158556,30.52363360845518,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0011,3.494576535034364,4.175249461016911,4.870461067346861,5.564359012947901,6.2448567140714895,6.903468290158686,7.534808718483498,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_4,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1555845068313022,0.7841401388834354,1.941755429250143,3.6062502159363694,5.20366413376626,6.251719809737844,6.798227686412175,7.0525653811581694,7.1477797710351005,3.0136911169050613,0.6037141135685155,0.0096553853631875,8.725216672176352,4.555295121855503,4.884098553166654,1.291911321582761,1.9293551208332744,3.9547883334122496,0.0886905433738282,1.9297385836994712,0.579640001878058,9.293163819269648,1.4595913836387735,2.9210488020014167,-0.0052622040650718,0.5414961883762567,0.5200594716956409,-7.290883675859495,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0011,6.063404303195698,6.860839587909671,7.653873380943758,8.435882262398211,9.20145179103008,9.946062976747095,10.666011597379322,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_5,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1020150313923916,0.7115250109251955,2.1207912756213667,4.040972419067495,5.685298740901413,6.692352476737119,7.200620083928119,7.433779706184175,7.520550478260842,3.385591019516136,0.515661149058529,0.0037206951636092,11.71506740146467,5.324923158844919,7.221779670624933,1.5971155603311258,1.1279541557771446,2.3571194123053205,0.0857130628166122,0.9367994507541644,0.2019617323984535,4.723454412550332,0.7866230614674209,1.6060025900598696,0.0174468439546675,-0.1569812079936768,0.1450573856299634,-2.247616650039618,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0011,6.986856212392753,7.801080299786402,8.604062179002412,9.390788516858487,10.156484439706688,10.896915661506132,11.608621122783426,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_6,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1010665119055233,0.7084309488290926,2.118303696941425,4.0184107707915215,5.624413916886465,6.601445329886363,7.093269302893117,7.318658270104585,7.402504892246735,3.373251595565534,0.5126883338255707,0.0037049906536171,11.329772773292463,5.312896237623039,6.971359836350482,1.594730693546052,1.238326885084135,2.593882202665428,0.0981514901668446,0.9724856349071528,0.2000894455006831,5.00150471422235,0.8750785548931822,1.794535363167067,0.025501824128654,-0.2192666521803215,0.1350930018127569,-2.0338251711303807,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0011,6.818501149759454,7.654349358864202,8.478293985831174,9.284430228624757,10.067545581648227,10.823271749244682,11.548198764103834,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_7,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186247898025985,0.8972564205246734,2.09169667145474,3.7476319709226114,5.282217833929413,6.270779088981896,6.782143084858826,7.019317555793066,7.107984937261061,3.166303987798346,0.7082417959877638,0.0235316419086829,10.026373748631336,4.900182723956178,6.0148769211619335,1.5839585491507548,1.7278917838899814,3.775137090292952,0.3192171861494725,4.281629273085762,0.1703796198007806,15.02380264243936,-1.4642800776047442,-3.249403083862988,-0.3192171861494725,-4.018017566800524,-0.0530724105038498,-15.02380264243936,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0011,8.864065851262183,9.684861156866225,10.469762454643703,11.217449881398371,11.92716766729654,12.598666812866362,13.232166155904672,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_8,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1595809384496235,0.7807882177502413,1.8606114704059675,3.439116610400131,5.028420986990207,6.099252244057164,6.664028015771122,6.928111065771361,7.027160172193657,2.867240416897358,0.6057472716124858,0.0102491611931133,8.02946374771722,4.127534044639087,4.826361450258813,1.207538996889814,1.6750435295732995,3.417539699513454,0.0746031913453258,2.271869060335906,0.6055133868876323,9.867281474773018,0.9290116161200408,1.7758576803000583,-0.0746031913453258,0.3321860853574336,0.5532911529459043,-9.867281474773018,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0011,6.061308315697593,6.867421425635444,7.66685496457908,8.45327757547459,9.221678512948486,9.96793886970978,10.688695523717636,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_9,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1563931909182185,0.7854178826411253,1.944262302460494,3.611308941216017,5.2106932395669086,6.259885153134005,6.806962086914567,7.061561544412197,7.156873578821991,3.0178969338711545,0.6049391580194043,0.0097964529250946,8.748973309756861,4.564835104214566,4.898504796401427,1.2948806739674088,1.8979876992582705,3.88857527725245,0.0865011887344956,1.94466816171654,0.5799213603499406,9.283975128728178,1.4125811339237235,2.820412889092381,-0.0105801243324137,0.5307689630425537,0.5216481601678562,-7.461869583078214,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0011,6.081003366343367,6.877953453068684,7.66928352606242,8.448763843139618,9.211321442154611,9.952711636240148,10.6694358014583,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_10,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1011219743569255,0.7091621256452003,2.1191401544159403,4.041032177683891,5.686007401554232,6.693063580250442,7.20123289870587,7.434327061158346,7.521070346201293,3.385156916183698,0.5134925081601985,0.0036554976217035,11.72690741761668,5.319553840960394,7.234046684069925,1.594508629950692,1.1730896836817373,2.453612484470407,0.0904444065189247,0.9468106682576666,0.2015856162828146,4.824833746060775,0.8273716582427653,1.6928419921546265,0.0213008014311303,-0.1755466137837708,0.141626887958069,-2.1429487552594515,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0011,6.9859068878395245,7.805165576176615,8.612988318569684,9.404210345497642,10.173941684649694,10.917879648359229,11.632538200160337,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_11,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016693290511833,0.7111883248634743,2.121621066423728,4.019141164298615,5.623379790676435,6.6000859147459465,7.092000609238961,7.317490020232829,7.401383515641339,3.374943620689412,0.5149424788707189,0.0037218615797555,11.326591622217313,5.31790722884583,6.972894647583298,1.6004649803761295,1.1856148053064564,2.481310688615987,0.0926714691830276,0.9578651499240898,0.1999203010616792,4.874139183653072,0.8289715304447607,1.696498616832533,0.0213428142106885,-0.1974359315037512,0.1384707011353714,-2.1377963822038817,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0011,6.800239650241227,7.632506103240752,8.45310698015006,9.256380308270558,10.037213826932524,10.791249212997592,11.515034849554192,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_12,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2198063011366108,0.8986495174999238,2.092773483459948,3.7491395725525343,5.285376785693373,6.275450836186762,6.787693445805364,7.025293157393304,7.114122092204564,3.1674850586765086,0.7096564324236017,0.0239124650575736,10.037228129699688,4.906330383674047,6.017681460908064,1.586110544336717,1.7223288087089583,3.761544296619486,0.3167940533755971,4.256681235713735,0.1724474697962418,14.947525111056736,-1.4456117250470126,-3.209673580818285,-0.3167940533755971,-3.9799641520517897,-0.0493083675666759,-14.947525111056736,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0011,8.869387981270442,9.693285900232333,10.48078280905398,11.230527696654182,11.941799970805969,12.614413814251066,13.248657932029325,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_13,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1603859622167487,0.784493309274018,1.86820263150454,3.4506109440107124,5.041816270033241,6.11284524490885,6.677409940870131,6.941324771733036,7.040299761507039,2.8775490669630224,0.6087076541391869,0.0102695921221461,8.085849081661589,4.148244945754078,4.865243906414833,1.2150963133092156,1.6716264366495202,3.4113050110392864,0.0751659315693501,2.272953889204321,0.602937642616505,9.8614508146346,0.919967120956019,1.757239600571321,-0.0751659315693501,0.318639668401218,0.55032149051796,-9.8614508146346,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0011,6.017622198166234,6.824792902884367,7.62505721705865,8.412242845570846,9.181433753382912,9.928558490691218,10.650269975537002,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_14,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.073957731093781,0.3645638691186232,1.1553448543182134,2.634868016285541,4.212288404442132,5.293356335656144,5.867501253710118,6.136774282298789,6.237895232215435,2.0816931864970334,0.2732838717669482,0.0056130547673489,6.985545433522564,1.891546902141604,4.2739317119164015,0.148606559455005,5.138054398539183,10.892739571609589,0.5193773490552047,4.856274569532155,0.7772279775499554,19.478753922667785,0.7776770967257057,1.735572451332369,0.0721958004712841,-4.856274569532155,-0.7772279775499554,3.827399722230564,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0011,14.80567840986516,15.493101078060224,16.10288899014198,16.64890722509009,17.141570508138372,17.58880965320301,17.99675959180095,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_15,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0586905690908089,0.3873494893547067,1.3924304825261575,3.152759191712989,4.9198324189561085,6.093721572764783,6.708507941487078,6.99510599831766,7.10246840913808,2.5103172553321444,0.274376941854642,0.0033511917124241,8.307720306530692,2.821992454099294,5.011731283165409,0.5644872523650921,7.012870729080208,14.884391034973412,0.6409457584617416,2.578402513948033,0.7651353738639105,21.67750564944449,5.736508314687935,12.33170840975844,0.6339921459150728,-2.578402513948033,-0.7651353738639105,21.434129210311085,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0011,13.41284818626362,14.255099117140684,15.020351928450182,15.715415384659194,16.34647858276946,16.91928619472933,17.439197754776462,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_16,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0688213255583621,0.3880078354495926,1.240781670963012,2.8067278076703728,4.469586840328238,5.599797629520801,6.196522644910049,6.475544224680995,6.58018858334416,2.2212608078910936,0.2854129219306477,0.0045694451980524,6.992092731360378,2.1206407193532737,4.469604106447932,0.4707079404943118,5.070566335167589,10.743510286583009,0.4507394030720486,1.979275564406498,0.6031361149520965,15.97674328236547,3.859041658615719,8.318523897746214,0.442221396306282,-1.979275564406498,-0.6031361149520965,15.67861304556364,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0011,14.393139881963876,15.130401368399518,15.791664281170728,16.3882711014189,16.92891249121785,17.42043291413758,17.868379969186453,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_17,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0712475970743437,0.3797561708463604,1.262850561415748,2.9309541222936906,4.676515145700492,5.850436507509494,6.467276337872949,6.755115194027153,6.862977318504521,2.3095300241829864,0.2802597439297201,0.0050995993847167,7.986259264076732,2.226009169388223,5.1774692591830185,0.4677295114143795,5.168304871805329,10.92895076972706,0.4843180826102408,4.121704174820573,0.7979810565432575,18.95192085801329,1.3932222720169116,3.0779412241902766,0.1718346317719834,-4.121704174820573,-0.7979810565432575,8.015000078674287,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0011,14.367693308649825,15.102682781107816,15.757907152374214,16.34621923349679,16.87756421583706,17.359723579677926,17.798880049355375,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_18,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0748257769974228,0.3666411595682946,1.1602893777758454,2.642277245836948,4.221502493097299,5.304143401980533,5.879280419693415,6.1490572536503,6.250373727496257,2.0884270123905178,0.2750294367830003,0.0057451220471231,7.012872215723316,1.901448354904658,4.287933462455739,0.149267103844934,5.073457949728954,10.756028344510208,0.5137418614765291,4.830075200771466,0.7691224687080126,19.27264505156716,0.7309655712973396,1.634674545824618,0.0667004906261001,-4.830075200771466,-0.7691224687080126,3.626197071802145,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0011,14.544415436814118,15.262962937787684,15.898068015664606,16.464830103518118,16.974662913472176,17.436282558022132,17.85643088212954,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_19,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.05908368437239,0.3922221304694663,1.4041497562834986,3.163594704158097,4.926330905507799,6.096880595977191,6.70985662004618,6.995601151201705,7.102642502782496,2.52220820221952,0.2776621457080929,0.0033737070290417,8.312260619881432,2.8541540871318904,5.005203277375829,0.5793916163652877,7.0732395998341016,15.014205356422597,0.6481131812276448,2.6144449698165464,0.7687062641571363,21.865017887396306,5.785027173284183,12.434336724153006,0.6377134960841836,-2.6144449698165464,-0.7687062641571363,21.50102890737516,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0011,13.423203777955486,14.2568721397078,15.016220207398929,15.707240105140198,16.335569878533157,16.906575676274816,17.42535274604453,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_20,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683874286505923,0.3883427903809068,1.2419548576320654,2.807683513239258,4.470577423888084,5.601151014715837,6.198181195958356,6.477371804543901,6.582083816557242,2.222314295038969,0.2854395066519105,0.0044927966676056,7.013373460391553,2.1234136616552,4.4897747505656,0.4737664111559564,5.081818395688021,10.76735160389543,0.4515514289565973,1.974329386262487,0.6038822702307663,16.00123136093047,3.8780488590830617,8.359277024864399,0.444435296520511,-1.974329386262487,-0.6038822702307663,15.752166725667443,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0011,14.001761563497768,14.784068102482962,15.484111789414944,16.114244842899666,16.683967866093436,17.200786606219662,17.67079744364631,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0011_21,RSM0011.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.071676201140246,0.3838472267361084,1.279334425424876,2.9569622837508125,4.702397062816897,5.873459987199669,6.48823603888858,6.7750069705124725,6.882453421302809,2.333586527449097,0.2828884089312583,0.005143651858231,8.060925008334568,2.2771026576691016,5.210346139533414,0.4840365863614294,5.083366334161789,10.747669356273924,0.4751511722374198,4.0614087418126905,0.7891940896801865,18.664397912461105,1.3475229595028224,2.980350018911924,0.1679377571290412,-4.0614087418126905,-0.7891940896801865,7.911928383667848,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0011,14.169111362965868,14.921045617423337,15.59204797043312,16.194695840329604,16.73890526483579,17.23254345967058,17.68192477157717,[Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni], topology pcu"
RSM0114_0,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0003613246125389,0.0633076807667775,0.6933288872019462,2.299283621261219,4.10342937752556,5.338311852091886,5.990323979895121,6.295046732997938,6.409297633139355,1.6775029077140808,0.0284494427905937,3.6023270302745726e-08,5.567979131439221,1.465290234910316,3.586328322187992,0.1191267622638029,37.69788284803509,91.29553062958055,2.6753633261560963,3.691710300473964,1.3796384100397,63.04908618141232,-37.69788284803509,-91.29553062958055,-2.6753633261560963,3.5457628727179915,1.3796384100397,-63.04908618141232,0.0,0.0,0.0,5.0,1.4700000000000002,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0114,19.557655241098235,19.704548206194115,19.81809735129964,19.907648090130014,19.979499803433747,20.038018336134183,20.086304366192635,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_1,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0003612074316988,0.0632962606747547,0.6932213910434465,2.2989139194706465,4.102795412756096,5.33752732164507,5.989470389338219,6.294163325326336,6.408403446693649,1.6772339833638334,0.0284437217405009,3.600622725591016e-08,5.56613840767153,1.4647550644496852,3.585326040544936,0.1190972147064636,37.69826393245838,91.2963486776107,2.675395099406172,3.691497932854986,1.3796459298876471,63.049929854277735,-37.69826393245838,-91.2963486776107,-2.675395099406172,3.5458830968210515,1.3796459298876471,-63.049929854277735,0.0,0.0,0.0,5.0,1.4700000000000002,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0114,19.55388563167645,19.70140431668092,19.815437299045254,19.905369339858,19.977526579380843,20.036293517351872,20.084784129058384,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_2,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1445288684057891,0.5066732120262167,1.625291767689753,4.023825180345034,6.608668277310116,8.348612757735708,9.26080822831887,9.68585028958611,9.845019163507189,3.1133864825543087,0.3956600965244503,0.0212458680457941,16.373728316018667,4.673935099910227,10.297993203120384,0.6770893096707279,4.570315830231427,9.953844111366353,0.7513151087199693,9.098141422809668,0.4085769307117247,30.79691885271107,4.570315830231427,9.953844111366353,0.7513151087199693,9.098141422809668,0.4067967359721381,30.79691885271107,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0114,5.933583760406467,6.627220351308809,7.2880787365553505,7.916013613474012,8.510691527041462,9.0720688974444,9.600649552806294,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_3,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406910596888282,0.6016100372587023,2.067618905174552,4.929941718838784,7.880824100972795,9.838877898728365,10.86066755097483,11.33598368379596,11.5138686963698,3.8667301942772414,0.4505688558662899,0.0185738129465929,22.295051046125028,7.287159730483113,12.921096985970898,1.0588482626358435,1.3828776483073897,3.0331856220482223,0.2668874770490365,3.517977464699681,0.1171463458676442,11.767735151895607,1.3828776483073897,3.0331856220482223,0.2668874770490365,3.517977464699681,0.1171463458676442,11.767735151895607,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0114,2.906770598327748,3.392294893451465,3.9140831173772415,4.462638597634853,5.027963647217094,5.600824132414803,6.173433074444223,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_4,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1445440074201941,0.5067066482849889,1.625367547734171,4.023847062860363,6.608590035609811,8.348472617440182,9.260639739993357,9.685669704972833,9.844834238801427,3.1134389345404863,0.3956863727694145,0.0212503299723124,16.374558541087207,4.67391984229849,10.29917597077858,0.6777654604712331,4.569177295990636,9.951496526318614,0.7512483262327491,9.099281824523464,0.408612807488675,30.796140413260648,4.569177295990636,9.951496526318614,0.7512483262327491,9.099281824523464,0.4068260014403108,30.796140413260648,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0114,5.937628920386225,6.630904305136497,7.291431314206956,7.919066629827623,8.513476142978247,9.074614177049432,9.602981820910268,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_5,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140723074509105,0.6016520178747908,2.0675146536422053,4.929489714407409,7.88008485124154,9.837966149370365,10.859666911235456,11.33494152408914,11.512810942816612,3.866398334874739,0.4506131115809149,0.0185825770356747,22.291032629731024,7.286082783898922,12.918135763826903,1.0583521498254855,1.3817908718284084,3.0308114881922883,0.2666871094125552,3.51528774712885,0.117034597429554,11.759143299736824,1.3817908718284084,3.0308114881922883,0.2666871094125552,3.51528774712885,0.117034597429554,11.759143299736824,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0114,2.90633656783269,3.392134655696446,3.914115485123884,4.462802130248576,5.02821258281095,5.6011245868184405,6.17375988808812,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_6,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1445165204251314,0.5011419771286787,1.623851030765857,4.075124875704284,6.7270803560810615,8.515171010125743,9.45338350694813,9.890713591222724,10.05450989748271,3.1428298372182075,0.3924388425552503,0.0212610985988451,16.480595940340105,4.75624634282722,10.260198747351794,0.5913886786058462,3.707559032968153,8.097918415422054,0.6287247870165802,7.745066524667076,0.3240529976989425,26.20277850895858,3.707559032968153,8.097918415422054,0.6287247870165802,7.745066524667076,0.3217663422785963,26.20277850895858,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0114,5.652625318776515,6.377515192444961,7.06906359458096,7.725607075352225,8.346105397767914,8.930298503529185,9.478753119684214,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_7,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1317503264976711,0.58783635424514,1.981535268622728,4.701558847925502,7.59296048981415,9.551050742692276,10.58294465621278,11.065055325466329,11.245807000667636,3.6812714935490543,0.438325843423885,0.0162203395530051,20.936229803862087,6.560658563886609,12.32492883031968,0.9530766453814784,1.5807084637009696,3.4596449609334425,0.2977735415799479,3.962896796340553,0.1492227098955842,12.940605592091506,1.5807084637009696,3.4596449609334425,0.2977735415799479,3.962896796340553,0.1492227098955842,12.940605592091506,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0114,3.1044788319553103,3.614485080127299,4.158115724702537,4.725443368323688,5.3064796982087765,5.892332565660015,6.475747003010223,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_8,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1445269137467032,0.5010847128205745,1.6235958157512018,4.074898323287667,6.726917120852646,8.515006069015797,9.453201809011878,9.890520440126286,10.054311872467126,3.142573711810997,0.3924150342616784,0.0212643996142634,16.479967497808563,4.755122081611579,10.260108523349505,0.5909725437222583,3.706860832418245,8.096285169385233,0.6286985777603679,7.745929880644779,0.3241008430857128,26.202919462971064,3.706860832418245,8.096285169385233,0.6286985777603679,7.745929880644779,0.3218284762948205,26.202919462971064,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0114,5.654472031531932,6.379342327244199,7.0708446532981775,7.727326111487321,8.347753593448257,8.931871738247535,9.480250323945878,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_9,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1318022042029779,0.587860045600404,1.9812784931056888,4.701130583448514,7.592537946901921,9.550661821137552,10.582576293770636,11.064696759542368,11.245452111845962,3.680872813913977,0.4383773887953816,0.0162332122665538,20.93298119111133,6.55851096495478,12.323578863301734,0.9527919952601628,1.581579214074637,3.4615349332280885,0.2979221146066659,3.964956130927965,0.1493373742225734,12.946651952093433,1.581579214074637,3.4615349332280885,0.2979221146066659,3.964956130927965,0.1493373742225734,12.946651952093433,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0114,3.104544944435061,3.61409027941444,4.15733713937495,4.724349015378951,5.305130142815056,5.890781447273266,6.474041208706849,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_10,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1445309393802283,0.5066959342118532,1.6254400364566703,4.024123345708063,6.609090701596191,8.349133392466321,9.261387883164192,9.686459378094598,9.845639598003416,3.113638263225409,0.3956722461393951,0.0212464359523517,16.376038761703644,4.674501063111774,10.299826180841375,0.677709809920105,4.569656957795547,9.9523873923125,0.7512883925872016,9.099074518363812,0.4086273147630784,30.79698745277077,4.569656957795547,9.9523873923125,0.7512883925872016,9.099074518363812,0.4068526023964154,30.79698745277077,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0114,5.933686218704248,6.627317112243761,7.288175678191557,7.916114797860271,8.510799526373868,9.072185112366062,9.600774524664397,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_11,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406888870875475,0.6015331175418006,2.0671182315022074,4.928751810042109,7.8791106249481055,9.83688967838395,10.858553799217512,11.333815187468328,11.511680273111562,3.8657713953879753,0.4505278858049012,0.0185732937874618,22.28603752236938,7.283124597064044,12.916008591255936,1.057678879021866,1.3821535246505352,3.031609052874628,0.2667591787635027,3.5162269547585567,0.1170609516754063,11.762374890192516,1.3821535246505352,3.031609052874628,0.2667591787635027,3.5162269547585567,0.1170609516754063,11.762374890192516,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0114,2.9069229680266093,3.3924450574692675,3.9142303665163865,4.462783010410655,5.028105774296572,5.600964762590164,6.173573083798392,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_12,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1445165025807732,0.5066760662684834,1.625566465708908,4.02471624925,6.610097132213259,8.350336333626375,9.262667710643331,9.6877690957876,9.84695955707772,3.1140559853820315,0.3956500528310272,0.0212423489958301,16.381702246688356,4.676793414467393,10.30225106574525,0.6774244358650114,4.569940058993824,9.952956281411192,0.7513948805520283,9.10105921637963,0.4087037878195966,30.80229362152773,4.569940058993824,9.952956281411192,0.7513948805520283,9.10105921637963,0.4069361947545662,30.80229362152773,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0114,5.9343465824103845,6.627940963042026,7.288778247634372,7.916704153464968,8.511379518223773,9.072757135241988,9.601338581385374,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_13,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407182909842803,0.6016212068716955,2.0673763646816665,4.929109373909553,7.879458973489956,9.837189227290402,10.858815399585382,11.334056305277327,11.511913269763827,3.8661095025148695,0.4505924224426594,0.0185815493394594,22.2882883097008,7.284433491989604,12.917100146133196,1.0580850584777552,1.3817847254596365,3.0307929257271566,0.2666809551700519,3.515232366820052,0.1170445096181127,11.758743234605452,1.3817847254596365,3.0307929257271566,0.2666809551700519,3.515232366820052,0.1170445096181127,11.758743234605452,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0114,2.9058770089285293,3.3916932439366656,3.9136901517024367,4.462394800322398,5.027826393488062,5.600762420734646,6.173423765058887,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_14,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1445063177711121,0.5010849606180037,1.6237345997514376,4.075228568187762,6.72740737593852,8.515599111135838,9.453849249656583,9.891193509443625,10.05499459471674,3.142840086128365,0.3924019545628798,0.0212582540939146,16.483038508698876,4.756355156928356,10.261629460597227,0.5909902297641698,3.708406859158377,8.099594664351168,0.6289135705763632,7.747939429564994,0.3242041940351552,26.211042421301023,3.708406859158377,8.099594664351168,0.6289135705763632,7.747939429564994,0.3219347165600178,26.211042421301023,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0114,5.654389982242168,6.379180561819289,7.070601502052477,7.7270088986673775,8.34737377112673,8.931441960017034,9.479782796000247,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_15,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1317522578101399,0.5877563217417598,1.9811146918749127,4.700824318494053,7.592080068917472,9.550114133371547,10.581986011338048,11.0640876913647,11.244836181570165,3.680622671503058,0.4382852908159436,0.0162210083918121,20.93191538173649,6.557608696389631,12.32308159556103,0.9523734419778332,1.581191538936854,3.4606886085815463,0.2978512034725508,3.96400116671726,0.1492963267867018,12.94362654839428,1.581191538936854,3.4606886085815463,0.2978512034725508,3.96400116671726,0.1492963267867018,12.94362654839428,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0114,3.1052336154346407,3.615145202992631,4.15869970857001,4.725964320948713,5.306947029243577,5.892753188795813,6.476126137556762,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_16,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1444888104489797,0.5010773823762813,1.623924669420699,4.075769351101509,6.728300245753408,8.516725660378762,9.45509634771215,9.892496160417378,10.056317936416624,3.1432543078404342,0.3923831443478864,0.0212532083304087,16.486911171783056,4.757895824244761,10.26387260533976,0.5915858534932262,3.707742259363308,8.098139503662594,0.6288653210838351,7.748273439659031,0.3242210571684842,26.20996387007138,3.707742259363308,8.098139503662594,0.6288653210838351,7.748273439659031,0.3219550438159232,26.20996387007138,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0114,5.650959471890549,6.376169439906906,7.067974061767946,7.724720710414066,8.345379797185817,8.929700505839362,9.47825709269848,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_17,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1317731819584785,0.5877981222759159,1.981275025241808,4.701227068283412,7.592681883644902,9.550831743631504,10.582761240380414,11.064889287943473,11.245647589027357,3.680941917703567,0.4383203182426104,0.0162263204693506,20.93384495997532,6.559028779153405,12.3237179508675,0.952637479237866,1.5809149475261186,3.460099220307732,0.2978147219734827,3.96343272331398,0.1492374081434843,12.942455800513196,1.5809149475261186,3.460099220307732,0.2978147219734827,3.96343272331398,0.1492374081434843,12.942455800513196,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0114,3.1048050594205043,3.614331598512585,4.157574053342461,4.7245894945442135,5.305377610515557,5.8910363756140045,6.474302324413609,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_18,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2331331651950568,0.9520098769420112,2.325031840942479,4.529331580586597,6.750601337077327,8.226578538542611,8.998612433794088,9.358215835826188,9.49287402212029,3.7243884345134735,0.7497160356545045,0.0255333165334779,15.685909034047883,7.28207658922826,8.900378356477006,2.0178944341406773,3.083350738300316,6.659032375227585,0.4807954433791387,6.483549418104563,0.4264388154101293,23.666282653195964,-1.4457506534730304,-3.3074907506420383,-0.4250248349755308,-5.29211420050614,0.1094017179859953,-22.216246834702154,11.0,23.442300000000003,1.0,3.0,0.6100000000000003,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0114,9.901489131434358,10.63387902570224,11.34510946782238,12.033729814464866,12.697089006935045,13.332478394994554,13.937724842663837,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_19,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2331364218763025,0.9519951654675384,2.324935092828498,4.529113419763735,6.750304125918608,8.226249544402938,8.998272657050517,9.357872320358846,9.49252931037741,3.724209441539213,0.7497087139019538,0.0255363172073853,15.685157393549815,7.281333392151167,8.90068517121558,2.0177342153447984,3.084259105876028,6.660953271363383,0.4808496056389763,6.483082412686513,0.4264672223719314,23.66636868111185,-1.4442534890754075,-3.304274176482189,-0.4248529133513108,-5.291050334187219,0.1094713407253313,-22.210454681632555,11.0,23.442300000000003,1.0,3.0,0.6100000000000003,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0114,9.87723338059828,10.612281732403304,11.32589016741107,12.01660595836805,12.681796135163433,13.318778862704296,13.925410134185444,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_20,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2342665526149532,0.9625522011277092,2.3526092616839573,4.559115190709706,6.810509304305165,8.323500270120402,9.119345051291935,9.490954135107314,9.630248259379032,3.751467320477381,0.7563253836183539,0.025639162819064,15.630869864158816,7.339375362214047,8.763917237445197,2.013464684960671,2.950541405568368,6.389897924653775,0.4894767874567955,6.866355705222731,0.4178640350692295,24.542242776977748,-1.944226468999588,-4.381293311262488,-0.4894767874567955,-5.860040768653952,0.075230283849473,-24.542242776977748,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0114,9.978689951091669,10.695776320511778,11.393419380020768,12.070142286233985,12.723241024022888,13.349909498134112,13.947841632111626,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_21,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2342860841084363,0.9626054776904877,2.3526627074274047,4.559044117446875,6.810269112412308,8.323143706826592,9.118928230630653,9.490509528378483,9.62979330150719,3.751450505716269,0.7563701659887506,0.0256430657616,15.629543431690552,7.339435027224343,8.762808868763429,2.013350028609098,2.950863752990025,6.390616566243468,0.4895503493247449,6.867266547587985,0.4178675053831486,24.545325751445027,-1.9446397402574216,-4.382193436829191,-0.4895503493247449,-5.86104253485538,0.0751822608558275,-24.545325751445027,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0114,9.957686785292736,10.677775419182703,11.377861205473636,12.056589253971556,12.711348322130894,13.339403136338571,13.938502029856048,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_22,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2331460831303106,0.9520338457746264,2.325056118581915,4.529412249701903,6.750731819096991,8.226726055014542,8.99876327011105,9.358366912804872,9.49302497750154,3.7244464965344415,0.7497406887294111,0.0255347944871176,15.686384438928911,7.282344111119728,8.900973464450955,2.017891519567493,3.083441720050289,6.659234042769161,0.480816221417692,6.483847456991359,0.4264466020854101,23.66727817325385,-1.44589297262634,-3.3078024738697804,-0.4250507171176337,-5.292422743967876,0.1093931735980464,-22.21737506145234,11.0,23.442300000000003,1.0,3.0,0.6100000000000003,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0114,9.898548804516816,10.63091521601856,11.342178952925972,12.030872934156385,12.694333518226683,13.329842119839366,13.93521784987378,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_23,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2331016995997949,0.9519577954139916,2.325100929263932,4.529739091928486,6.7513942510362375,8.227640222892866,8.999817753917183,9.35948869039562,9.494172263502104,3.724664645913089,0.7496626495765483,0.0255275166059956,15.690385605330391,7.28325699599832,8.903051259546949,2.0179235124366817,3.083894043015705,6.660165130743661,0.4808044142391314,6.482813347881921,0.4264598796601743,23.66504072215521,-1.4444525937213364,-3.304697117421312,-0.4248649131082768,-5.290887907634389,0.1094756150885817,-22.210613692753,11.0,23.442300000000003,1.0,3.0,0.6100000000000003,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0114,9.860892645474646,10.596842295512417,11.3112888884578,12.002789920209178,12.66872032767104,13.306403390553337,13.913698107442125,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_24,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2342671432733334,0.9625766568231968,2.352734012261948,4.559421802781224,6.810921420778728,8.323943664918493,9.119794475872768,9.491404173880143,9.630698185110184,3.751715575345334,0.7563420821145406,0.025637157999156,15.632847882329944,7.340467878677365,8.764497289694043,2.013528263907492,2.950698471054368,6.390249626030852,0.489514136069396,6.866811559609536,0.4178625650709085,24.543775076659763,-1.944442889639592,-4.381763485526961,-0.489514136069396,-5.8605559781947605,0.0752026698223317,-24.543775076659763,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0114,9.97721400515108,10.694639851436744,11.392540239726188,12.06945912819166,12.72270762353118,13.349490824259943,13.947511034995564,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_25,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2342491825615646,0.9625688333125156,2.352782768652768,4.559637158239236,6.811393139080248,8.324621123867287,9.12058893914664,9.49225516878188,9.63157067049726,3.751858052251011,0.7563278881394976,0.0256317237543753,15.634721249543857,7.341136833989566,8.765925896392964,2.0135025064195906,2.9507883254025926,6.3904545003996525,0.4895390931362948,6.86710107049295,0.4178541838610516,24.54472348973886,-1.944602605960354,-4.382107804392945,-0.4895390931362948,-5.860915351050712,0.0751768186656457,-24.54472348973886,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0114,9.960404437914448,10.680014867159882,11.379708134320571,12.058114585745326,12.712610806192346,13.34045115404292,13.939375133552964,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_26,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3106979831721878,1.226257765335797,2.914935305002087,5.514114972170963,8.144445668866224,9.914728086054762,10.847867347654129,11.28410561667214,11.447713428853287,4.568069405385065,0.9693628489326432,0.0362166512059277,21.693435157609844,11.258327981999244,11.46130579619416,2.554482570329897,3.083734536060489,6.733349483982072,0.5653480288682912,7.606518767006818,0.3237990620462284,26.72563325766827,-2.569745752622421,-5.707427872239687,-0.5653480288682912,-7.092529983568751,-0.0719445581615749,-26.72563325766827,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0114,9.580947163554857,10.394879368750471,11.186993056547143,11.94907027540975,12.675121755838129,13.3613985775242,14.006086508892,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_27,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3107148730998169,1.2263218942857763,2.915055037629656,5.514125011134447,8.144293796237127,9.914482787419898,10.847580576017696,11.283801399192836,11.447402989796826,4.568134058968942,0.9694120879441384,0.0362202305329959,21.69308331228265,11.258930514765131,11.460547954323424,2.5546867158556714,3.0837813505549,6.7334521495260375,0.565357047419197,7.606637729908477,0.3238030621915869,26.726047701158443,-2.569789123637071,-5.707523664598052,-0.565357047419197,-7.092645502990647,-0.0719468710018507,-26.726047701158443,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0114,9.555535463616824,10.3696053315316,11.162054202319355,11.924662815201604,12.651410206693916,13.338505755770214,13.984094302964325,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_28,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3107207771307017,1.2263472698758435,2.9151274481459857,5.514285104355087,8.144452314568134,9.914589647886052,10.84764627704853,11.283844875874554,11.447437664379017,4.568270508376063,0.9694337562038312,0.0362193938581868,21.6940749155311,11.259584395379598,11.460958882010424,2.5548937532129035,3.083777786612267,6.733443948718323,0.5653559844345084,7.606625662088335,0.3238035481275428,26.726008621751504,-2.5697820577328176,-5.707508473874942,-0.5653559844345084,-7.092629933208886,-0.0719456409766126,-26.726008621751504,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0114,9.55116804772785,10.365652657809427,11.158464906194675,11.921393774286324,12.648424886338212,13.335772740386972,13.981586242830724,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_29,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3107125544413017,1.226263568284616,2.9148389392164527,5.513694053209855,8.143741171009681,9.913888335744671,10.84697384706041,11.283190911491028,11.446791395340991,4.567769636429578,0.9693723575661568,0.0362222745332197,21.68954945294488,11.256952064582029,11.459228891007957,2.554310193487536,3.0837415680696787,6.733365317086959,0.565349786088507,7.606539856777735,0.3237988175682774,26.72570356211853,-2.569756292815392,-5.707450707679404,-0.565349786088507,-7.092554581523448,-0.071946032693677,-26.72570356211853,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0114,9.576778241251343,10.390803235909017,11.1830374117461,11.945254353895118,12.67145771816114,13.357892965592876,14.002741562632933,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_30,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.100724923297027,0.5949669160810214,1.7372231977484969,3.575589416771425,5.4549805813782575,6.725058066154201,7.395415475992339,7.70893618450348,7.826536348141623,2.903430947113776,0.4400516392616934,0.0052185032690948,10.808359136425914,3.929383029112043,6.409143669413348,0.7295619845905377,10.805716784969018,25.21341243560185,0.8946543180916394,2.9049923522955057,0.4910404504363648,25.95611081056905,8.898728821804745,21.15131048480364,0.6445917654670588,-2.178491878552719,-0.4474504220117976,15.95360870558583,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0114,10.413266309919086,11.163364511301864,11.89955452787733,12.616329501346383,13.308177283079582,13.970520693367936,14.600071144717653,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_31,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1007214120342922,0.5949461445164133,1.7372187117783882,3.575494100723596,5.454665831398646,6.724579124550655,7.39485109499816,7.7083326005363,7.825918209686861,2.903391198990105,0.4400355642337967,0.005218030195473,10.807170612303551,3.929348790877629,6.408419132119806,0.7294709328274441,10.80801653037762,25.218970062999045,0.8948906619923188,2.9070261186228064,0.491193316302816,25.9632521850231,8.899379956121662,21.153268354947908,0.644525859070572,-2.1808646815172272,-0.4476236300764812,15.948660068153233,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0114,10.429324505301196,11.177644159566848,11.912378987311362,12.627935389524811,13.318742234906331,13.980182236196184,14.608939107473027,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_32,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1011433170427319,0.5962270708145978,1.7427104380390743,3.6075952976084222,5.523941283279111,6.820954184762272,7.5059185722489,7.826349093488374,7.946553222221593,2.9239018190087056,0.44114989247214,0.0052630966314084,11.028552501450664,3.940253167193281,6.53297749831819,0.7381648931102152,10.716125553624938,25.007537090702428,0.9038419877959633,3.4162367256282304,0.5198923266014052,26.645589163357275,8.321012391375657,19.888164178704294,0.572652813259836,-2.793532542303506,-0.4825300756019217,13.398022181912175,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0114,10.543679703895595,11.273753022601795,11.9929520752962,12.695319594998953,13.374966442545889,14.026990725987822,14.647822140483234,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_33,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1011403356112497,0.596226986744242,1.7426255123650674,3.607314294883393,5.523524206807293,6.820463574873589,7.505391087521629,7.825804446599393,7.946002128067249,2.923684702803796,0.4411490775335864,0.0052627684903303,11.028446105918071,3.93934650029238,6.532971703058639,0.7379038757366032,10.716849041144789,25.009185417649448,0.903956598192041,3.417473043195745,0.5199252495962636,26.649300991928936,8.320822930462139,19.887795960260185,0.572577447201881,-2.79476759840847,-0.4825629229090271,13.394134952322531,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0114,10.495713108872298,11.228738053293464,11.950503093742444,12.655191441179392,13.336993615744094,13.991049904577268,14.61381052176012,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_34,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1007271637851988,0.594981625425711,1.7373664134432851,3.5757986368782,5.455042755023243,6.724962902981737,7.395227486914579,7.708703231989277,7.826286322628236,2.9036481101936285,0.4400594569398631,0.0052187461950048,10.808710375722637,3.930272121196919,6.409022698783305,0.7297003307820867,10.806013676454109,25.214200654293425,0.8946951373937104,2.905672298952771,0.4910823652222424,25.957446486794105,8.898421097186894,21.15077738772292,0.6445206308104129,-2.179391903417126,-0.4475055414901037,15.9504662234622,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0114,10.440183076610063,11.1876123858566,11.921488710849838,12.636253688003286,13.32634816127751,13.987154486927126,14.615350267600476,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_35,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1007027461079239,0.5948909259144733,1.7371392164744135,3.575584187813615,5.45504777904116,6.725172966071066,7.395556346253991,7.709089487288108,7.826694367004147,2.9033971283577347,0.4399892819508784,0.0052161395885532,10.808537402437514,3.929358487169569,6.409319603481108,0.7294356473475617,10.804951739496428,25.211557410701246,0.8946017153426121,2.904901139498802,0.4910019742950982,25.954771753375024,8.898032317459489,21.14959700373228,0.6445437930702942,-2.178353198760364,-0.4474090978507918,15.952454862482307,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0114,10.43358447361348,11.181448330261466,11.915795722818274,12.631020287307528,13.321540299556252,13.982730176643264,14.61126725753268,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_36,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1011558792926874,0.5962655926779501,1.7427867740198335,3.607745425102639,5.524146940881589,6.82117757334856,7.506144770391949,7.826575097562916,7.946778910281401,2.924025319774583,0.4411823499329547,0.0052643231484468,11.030159647310654,3.940526640930189,6.533813199153316,0.7381805612317321,10.714250272422335,25.003000096325145,0.9037153946569114,3.416201059096324,0.5198192133264252,26.642583698101387,8.319098517757515,19.883533419190147,0.5725098578506101,-2.793439425956536,-0.482453515338038,13.394362225849342,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0114,10.542192389497986,11.27261269894862,11.9920830876224,12.69465999797401,13.374466520361064,14.026611363771435,14.647533088035882,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_37,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1011324396865006,0.5962091116509063,1.7427137328019575,3.6076135698582896,5.52398886015927,6.82103658723967,7.506024134633164,7.826466559408673,7.946675323734167,2.923914807597234,0.4411305331873046,0.0052619301628236,11.029398429725482,3.940258840771287,6.533453657372721,0.7381242114345211,10.716064059891073,25.007491538699576,0.9038566215831636,3.4166396489898463,0.5198769520962926,26.64575110180728,8.32066749477504,19.887467559871048,0.5725839526706754,-2.794118034370016,-0.4825256552191026,13.394844345307742,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0114,10.52603353992824,11.257449954575442,11.977714966399,12.680983845292062,13.36143169044091,14.01419179762214,14.635712243039936,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_38,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1087249750864886,0.8245475946729055,2.6900176525600497,5.323574682131465,7.674356204879341,9.173219945333535,9.947961927276893,10.307491349518788,10.44195301701276,4.414593147578669,0.5824181194332941,0.0039917464090239,20.01680793498216,9.827100640084929,10.928166743526264,2.5911509865915368,2.766724676296745,5.88453393750504,0.3540923419147549,5.599463411614785,0.6121011733644202,17.37454680063128,-2.766724676296745,-5.88453393750504,-0.3540923419147549,-5.599463411614785,-0.6121011733644202,-10.952840552549118,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0114,9.633286364990088,10.37300822655084,11.09777494660548,11.805799421846125,12.493611783268207,13.157390591036071,13.793760602656944,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_39,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1087193626752385,0.8245312502861251,2.689918982492223,5.323265663430054,7.673772459063563,9.17243006577738,9.94705911536991,10.306534991242312,10.44097647049168,4.414369139922537,0.5824059640114463,0.0039912864845386,20.01452757803368,9.825948058336522,10.92702689516355,2.590976090202677,2.7668827179434743,5.8848819064740185,0.3541241361207358,5.5998758069093615,0.6121118459387571,17.37565495092473,-2.7668827179434743,-5.8848819064740185,-0.3541241361207358,-5.5998758069093615,-0.6121118459387571,-10.954275938734137,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0114,9.628850232940026,10.369765815933404,11.095510255349913,11.804319459946154,12.492751623337671,13.15701345731772,13.793755388742383,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_40,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1087232942262515,0.8245285005102905,2.689977956945188,5.323522226396988,7.674208606010029,9.17297299770695,9.947654645033788,10.307154338900547,10.44160463132155,4.414554279619305,0.5824066922214307,0.0039915158645059,20.01712216365687,9.826794756731053,10.928305412202333,2.591102011990536,2.7668524746852694,5.884816779055649,0.3541194802141779,5.5998083163986925,0.6121068041460082,17.375457175568126,-2.7668524746852694,-5.884816779055649,-0.3541194802141779,-5.5998083163986925,-0.6121068041460082,-10.954101241566113,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0114,9.650856201852696,10.39041603535023,11.114925275257972,11.82260422326499,12.509994716846878,13.173289836588896,13.80912972831607,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_41,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1087153002491196,0.8245198409619471,2.689893820228904,5.323191909070616,7.673658359815226,9.172298024700336,9.946920455490822,10.30639387160824,10.44083452950652,4.414313331410021,0.5823954578971822,0.0039910489842268,20.01323185255332,9.825705237446508,10.92633920647191,2.591024691351,2.76700011873178,5.885138326715432,0.3541457328471961,5.600165981509349,0.6121240191994604,17.37645792213086,-2.76700011873178,-5.885138326715432,-0.3541457328471961,-5.600165981509349,-0.6121240191994604,-10.95520070564483,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0114,9.636230490896155,10.375672243339915,11.100138149836184,11.807865099058136,12.49539717482594,13.158920153039997,13.795061651402683,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_42,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,1.8202326728031145e-05,0.0113652836918575,0.2832499793443806,1.4811456518676664,3.231530106565428,4.571656901209962,5.3129311914831,5.6661664859680805,5.799644212021147,0.9616558465028752,0.0040819357362979,2.1038826146726707e-10,3.6830830409484703,0.6309477206063036,2.4895570744135096,0.0135126090855731,15.982627929704044,37.01900936912461,1.38381468653583,5.285848292076588,0.6336427842352089,39.22814325547844,0.1301813261120341,2.9812994924590583,-0.3442786055154377,-5.285848292076588,-0.6336427842352089,-17.397885554050212,31.0,76.958,2.0,0.0,0.0,42.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.4700000000000002,-71.0,RSM0114,21.91978511563123,22.18261728951964,22.38674474881214,22.548208561159097,22.677990050400425,22.78378876333331,22.871120790911068,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0114_43,RSM0114.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,1.8198514899930457e-05,0.0113643997221903,0.283248556556002,1.4811643753775343,3.231574958709443,4.57171693982679,5.312998061441201,5.666236253587652,5.799715017162762,0.9616655041414516,0.0040815210920559,2.1030078161629055e-10,3.68322881663137,0.6309641348097352,2.489664982917007,0.0135121200626738,15.982615844099763,37.01899442781427,1.3838061154521692,5.2857295905392645,0.6336449470215139,39.22766994893956,0.1302817742312523,2.9815337951379326,-0.3442643336243617,-5.2857295905392645,-0.6336449470215139,-17.397292530555603,31.0,76.958,2.0,0.0,0.0,42.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.4700000000000002,-71.0,RSM0114,21.91865736712854,22.18167304116569,22.38594321396151,22.547520047051417,22.677392475285423,22.783265391118963,22.870658720746377,Cl[Cd].n1ncn(c1)CCn1cnnc1.cat0,"linker n1ncn(c1)CCn1cnnc1, nodes Cl[Cd], topology "
RSM0158_0,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.005114485689852,0.1945117367735449,1.1394575184101996,2.905430020565203,4.644286888850056,5.775132956620511,6.36055769236427,6.63200840118225,6.733468248358291,2.2623771061574067,0.1099804846805357,7.992473476378456e-06,7.1505079608473885,2.4006553117967644,4.675376429039511,0.4405283674531583,22.66242645401608,50.73175419469721,2.0343863493935874,3.821713612047749,1.5682871983657674,55.059406918273886,-22.66242645401608,-50.73175419469721,-2.0343863493935874,3.0051280852095577,1.5682871983657674,-55.059406918273886,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0158,20.14286840019982,20.49439526863308,20.7737415979973,20.99903930824986,21.18315736904768,21.33540600609552,21.46263960202861,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_1,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0051192810597162,0.1945938946617566,1.1397469400115547,2.905520711268323,4.643670438237541,5.773899274509325,6.358971569644542,6.630252669564057,6.731648206751959,2.2626180954739783,0.1100335583085488,8.009898279508717e-06,7.151577992259076,2.4013392519960446,4.676852161030681,0.4407115079662244,22.65971926017769,50.725946292984005,2.033829646581044,3.8165302274890087,1.5688642861034228,55.0352312978676,-22.65971926017769,-50.725946292984005,-2.033829646581044,3.014320421000264,1.5688642861034228,-55.0352312978676,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0158,20.17989154106776,20.52573786779335,20.800582208942394,21.022259231595363,21.203426871085032,21.353242724531803,21.47844890059398,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_2,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0032456400747633,0.1893968371239349,1.246113476758589,3.393204328165893,5.683508909656584,7.238795621480957,8.059275406162527,8.44274268327853,8.586527558118968,2.587156011533451,0.1013715317702601,2.1007140713585177e-06,10.16394345045747,3.507216019992004,6.049207196408792,0.4345165063137035,22.261411737609624,49.882618641105736,1.993463296450361,3.654065930702092,1.6491247276638097,54.14448232939045,-22.261411737609624,-49.882618641105736,-1.993463296450361,3.644060012647474,1.6491247276638097,-54.14448232939045,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0158,20.78345470625939,21.05498501061664,21.26647252689005,21.43426217316013,21.569542236842683,21.680161188050807,21.771747019605428,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_3,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407276521595057,0.4890587165741737,1.4722527781883366,3.531156859156796,5.760134216191476,7.266015592643708,8.05644785078646,8.424881164208443,8.562865535192476,2.7492646095446505,0.3851673963075124,0.0201512669353736,12.452240869070511,3.308080920294112,8.091821216616928,0.4429363768709954,3.7866007446843546,8.284046294758605,0.710158950595173,9.467872349445736,0.3550743884067384,30.778122818240337,3.7866007446843546,8.284046294758605,0.710158950595173,9.467872349445736,0.3550743884067384,30.778122818240337,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0158,3.2026139639286195,3.858797329810166,4.5406030998796005,5.230037628771217,5.912860366668375,6.578702066643363,7.220655648920636,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_4,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411810906443647,0.4806919797541522,1.225771751951904,2.4225103933716365,3.6311249439202857,4.455749318646308,4.895251500972212,5.10191597954946,5.1796225448030135,1.9889294602584933,0.382872419991436,0.0202816356103887,7.397538338633811,1.513587056921968,4.957991043291672,0.096410175432272,3.638974480960517,7.885998809213625,0.6095885422116752,8.51568281865392,0.4795879511357708,24.47632555001469,3.638974480960517,7.885998809213625,0.6095885422116752,8.51568281865392,0.4795879511357708,24.47632555001469,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0158,3.4134623018040084,4.067414100875952,4.745073611391201,5.428897378367799,6.105058662647759,6.763542083698833,7.39772797458301,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_5,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398892677332709,0.4794931441802875,1.2887648491202053,2.777153435448071,4.362403017516934,5.446899466046875,6.0219105003521065,6.2913357320427545,6.392470517337934,2.220965923140276,0.3809753708187773,0.0199173155125371,8.609800495936488,2.094177332941762,5.52002098621808,0.1637362408596341,2.959567467761576,6.412442959335587,0.4944817734168809,6.915421655096623,0.3956885651267942,19.81588680037378,2.959567467761576,6.412442959335587,0.4944817734168809,6.915421655096623,0.3956885651267942,19.81588680037378,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0158,3.334354757843157,3.987686422504189,4.665364611753653,5.349833876356854,6.027235143357793,6.687509752983446,7.323990358383336,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_6,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404968772135986,0.4805578584785789,1.276200350032194,2.703060387597248,4.201978438474502,5.222830001320141,5.763462489504378,6.016700455687953,6.111750354839097,2.173274443633918,0.3820840451227308,0.020087672447655,8.093803543807882,1.786393224770683,5.4708243014064655,0.1692672378891491,2.870474191795682,6.247245317544771,0.5067693797508052,6.924629229802123,0.3280088352301659,21.12148562357795,2.870474191795682,6.247245317544771,0.5067693797508052,6.924629229802123,0.3280088352301659,21.12148562357795,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0158,3.3523647851990286,4.007653936940927,4.686608310766863,5.371792763838722,6.0494439930349015,6.70957604749574,7.345575771846131,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_7,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1431821346243118,0.4678824088781257,1.2341243741810706,2.798093648453539,4.492642632370968,5.638768285793781,6.2411017351792415,6.522075348481036,6.627343139077825,2.203989396175513,0.3772956653266754,0.0209148191724286,8.524560474629233,1.9714523757547444,5.745431523403768,0.1982111256632241,4.88282245958373,10.606514061028586,0.7847612231220658,10.437753045914866,0.5877505957906289,30.96684330073976,4.88282245958373,10.606514061028586,0.7847612231220658,10.437753045914866,0.568810712016583,30.96684330073976,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0158,3.6859719738848886,4.395131740222373,5.122364332168553,5.847376475162903,6.555480091692531,7.236933177171607,7.885980249345504,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_8,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430690056165935,0.4628404756882178,1.1344205469981232,2.4470740385428806,3.893907651149191,4.884883047599632,5.408497687432266,5.653283602262915,5.745071792922664,1.946547968719728,0.3754819362958366,0.0208829214858139,6.99573711514619,1.3127356053558112,4.972806617322677,0.110598886221558,3.0558380611725773,6.664310551563748,0.5117746302297627,6.636180846678865,0.3215534740579711,20.8631340641402,3.0558380611725773,6.664310551563748,0.5117746302297627,6.636180846678865,0.3080953863921378,20.8631340641402,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0158,3.725797796400722,4.432263424153002,5.155932590842292,5.876960652216755,6.581001102687025,7.2585432728177395,7.903971258920963,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_9,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407149846393636,0.4886809996056289,1.4683536107000967,3.522033307572459,5.74823719277403,7.253171048230467,8.043306694340103,8.411640271555745,8.549593039018548,2.7417161323130776,0.3850013402998625,0.0201480061727192,12.41625394649208,3.287427964470182,8.074246144780382,0.438699709777166,3.7891538948412538,8.289551893846706,0.710558694242771,9.47362344878342,0.3555042311032009,30.7933391227877,3.7891538948412538,8.289551893846706,0.710558694242771,9.47362344878342,0.3555042311032009,30.7933391227877,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0158,3.207724964425794,3.863902885271912,4.545631229739538,5.23493597496635,5.917593318759647,6.583247431105545,7.225001531138615,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_10,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408198357506566,0.4801387481928991,1.2246028523032828,2.418704655245141,3.623505445205853,4.445344685228202,4.883361791736967,5.0893324738774215,5.166779186730148,1.986277255735856,0.3823566016415373,0.0201782524792336,7.376095238387874,1.5064612632596328,4.9467207182187485,0.0958261518370955,3.6368520790825616,7.881562213929599,0.6093920477997254,8.511988461480366,0.4789793076390474,24.47318295056799,3.6368520790825616,7.881562213929599,0.6093920477997254,8.511988461480366,0.4789793076390474,24.47318295056799,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0158,3.394035869956906,4.0464611961533405,4.723040341055114,5.406190481022297,6.082029261789398,6.740481257970899,7.37486914502211,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_11,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404041979610565,0.4803500690995379,1.2904393559180811,2.7813951576429585,4.369960526812542,5.456874818361976,6.033199405302189,6.303246259760872,6.404615313320722,2.224151560687383,0.3817604250374502,0.0200625834785156,8.627102693568457,2.1008374185609897,5.529281968651474,0.1646808720807034,2.967263963582222,6.428987509165146,0.495641041059499,6.932392292058214,0.3969351568671561,19.858553056253825,2.967263963582222,6.428987509165146,0.495641041059499,6.932392292058214,0.3969351568671561,19.858553056253825,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0158,3.3619792882498705,4.017466963231573,4.696614829637381,5.381929505148964,6.059628362333758,6.719728472475813,7.355630906929144,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_12,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404444903460633,0.4806040449111502,1.2764320596004184,2.703030974678948,4.202201498913573,5.223646155563547,5.764719597541669,6.01819213194054,6.113334512692215,2.1733211284649765,0.382078355167719,0.0200720990080896,8.100828147739513,1.7874380274963384,5.475301551673801,0.1688269773475491,2.881999314406863,6.27199166375992,0.5084769025417237,6.949814534740653,0.3299562240012268,21.183386605886337,2.881999314406863,6.27199166375992,0.5084769025417237,6.949814534740653,0.3299562240012268,21.183386605886337,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0158,3.3490754298273697,4.003993155964007,4.68265088047743,5.36761698541675,6.045123832530764,6.705177087025897,7.341153656033456,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_13,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430350364323334,0.4681010729882866,1.2376138501855134,2.8040638312615767,4.497515266202118,5.641882630740116,6.243095736641366,6.523511460181634,6.628565136490988,2.209604355417901,0.3772802442784404,0.0208710689096787,8.550472360786207,1.9835640640436067,5.761993375673085,0.2023611130662501,4.837004920625532,10.506049064557086,0.779648988608533,10.397596028136936,0.5843674125471502,30.80925271459534,4.837004920625532,10.506049064557086,0.779648988608533,10.397596028136936,0.5666469153687561,30.80925271459534,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0158,3.654788641969876,4.360784677873311,5.08599786319058,5.809963005508988,6.517792131443053,7.199553277021688,7.849327392419232,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_14,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1427517109537402,0.4624791367808771,1.1348476328273336,2.448371202009157,3.895066114383868,4.885687043613217,5.409081680296209,5.653761392780625,5.745509479290711,1.947676090038902,0.3750870343353902,0.0207902984653104,6.993437144121359,1.316283718970595,4.967466568065378,0.1109255139992621,3.0226745760534355,6.591727840841044,0.5072067286502112,6.587585355230111,0.3186613758696473,20.696129537167863,3.0226745760534355,6.591727840841044,0.5072067286502112,6.587585355230111,0.3057562007499446,20.696129537167863,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0158,3.684990250443057,4.387475642870361,5.10864624693141,5.828421237283808,6.532193950688831,7.210213130920121,7.856659195099918,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_15,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173815644228627,0.9131799650010572,2.193240016166642,4.070850022548328,5.922741639183169,7.157605669969916,7.80609361538318,8.108779621721267,8.222226638783818,3.3959853199981542,0.7159056579809714,0.0232822620600852,11.90308638693785,5.65344551631053,7.133549859006091,1.7481602994111916,1.7637292176819312,3.880233591445534,0.3518299785274387,4.57836904590144,0.1251782921295117,15.85524565895843,-1.7545705675924557,-3.861968037639589,-0.3518299785274387,-4.5692103958119645,-0.1211026928396951,-15.85524565895843,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,9.34522077689194,10.132239375416448,10.888664036582306,11.612783439281625,12.30331164181735,12.959415449183089,13.580737703282136,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_16,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179534664294399,0.9136535818845096,2.189804949939694,4.011908463123278,5.750830647984301,6.889190362653139,7.482037397155167,7.757759859759363,7.860949795823444,3.365113522082084,0.716498420377556,0.0234226251994555,11.64770966665261,5.903346851139869,6.699906619452224,1.7783710026291686,2.1438126978728227,4.717571319929435,0.4287625395745644,5.573913014469338,0.1500668888510974,19.2943142808554,-2.1438126978728227,-4.717571319929435,-0.4287625395745644,-5.573913014469338,-0.1500668888510974,-19.2943142808554,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,9.47714060712577,10.243418427223087,10.9835643386096,11.694810363808203,12.375049602411613,13.02282603691629,13.63731634565318,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_17,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1554208866694131,0.7776389726472036,1.8987688451950355,3.555751703523268,5.237128955153146,6.383617042225054,6.993207808389091,7.279420043950796,7.386961406700426,2.9548931710642385,0.6003572598356214,0.0096278469395423,8.919557363975096,4.421868890869128,5.073731745886152,1.2862992823326307,1.7831064836708643,3.6701727213701294,0.1021852054120028,2.5058014471806054,0.5893657289930758,10.674876487235531,0.8111421557541422,1.5313146756443288,-0.0922076601713416,-0.0312833506435343,0.5168383306806077,-10.445392946700323,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0158,6.527251159251202,7.290417494753362,8.056783155128755,8.818521761365567,9.569056486123454,10.302815972699358,11.015185858568982,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_18,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170386728866105,0.9136950432110408,2.220049561631821,4.153515423946657,6.011481208828668,7.221596731288226,7.849096301919379,8.14027329343485,8.249138598779792,3.4627833264494896,0.7158940874761711,0.023086327131333,12.21201825494207,6.28610418140607,6.899188405705298,1.8236651382628288,2.2875233840920046,5.026055638377525,0.4499795126270696,5.887359485108561,0.1742363197451862,20.43720717300141,-2.212271742178692,-4.875977526327709,-0.4499795126270696,-5.812107843195251,-0.1407493390937622,-20.43720717300141,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,9.39201788397414,10.169019392224769,10.917667282633827,11.63568400252229,12.321371082547593,12.973597209800117,13.591789658123073,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_19,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2176032029971151,0.9127308074081238,2.148140159641309,3.82055362111374,5.403219484458836,6.451119155326766,7.00178292566337,7.2590823443805,7.355573533989475,3.2325872758705243,0.716229519431295,0.0232533509997137,10.380544341519965,5.117150694325418,6.29711045882849,1.6833509951781933,1.9596681959004536,4.307420151033129,0.3871503521198225,5.056871012859035,0.1461454369510343,17.541348021898717,-1.9118353252977724,-4.212024665546672,-0.3871503521198225,-5.009038142256354,-0.1248598095328411,-17.541348021898717,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,9.41171169187777,10.185609497849535,10.931384302793864,11.646801014591135,12.330174082427966,12.980368378443377,13.596796326587416,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_20,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2311951609321113,0.9542121569261902,2.1719365810265003,3.751051392978532,5.233569946925451,6.213672912169895,6.728466307558189,6.96896420120561,7.059148881571327,3.1986853921779588,0.7516938080677528,0.0250020550613276,8.569824270846599,5.156188831509715,4.664248972032781,1.7542571612555302,2.534693502652285,5.523925286935285,0.4543442999843887,6.169447902527395,0.2876553151312074,21.7603535129492,-2.0087494971916025,-4.474157293257182,-0.4543442999843887,-5.643503897066712,-0.0303856948578643,-21.7603535129492,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,9.485528135344218,10.123612372754732,10.769424221429022,11.414872204079115,12.052125748057188,12.67445075105631,13.276536394841695,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_21,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1002728332622481,0.7289023395599445,2.2576636933762675,4.453212911653458,6.441637959562965,7.703940432711937,8.352467204600913,8.652360320676747,8.76433735050653,3.688262201602656,0.5229793361586061,0.0035840377374139,13.739930960283903,6.690530801162874,7.8934239614342205,1.8517749965107884,1.0354676049202272,2.2680581607991943,0.1968684522231012,2.610415222705037,0.0916547362711861,9.114707069063162,-0.9332169173107852,-2.064134501965305,-0.1968684522231012,-2.508164535095596,-0.0461531802849845,-9.114707069063162,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,7.805728141932735,8.54523534739469,9.281374878555232,10.010147811017042,10.726595718843685,11.425719578983516,12.10307320628251,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_22,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1562175920225054,0.7786623115790897,1.8899973119890343,3.503818544214677,5.112246859651982,6.1960297850228985,6.768739247363136,7.036870601534742,7.137497935069979,2.922350600498418,0.6016693318606997,0.0097331764645202,8.632408202112337,4.242345445715064,5.021447914573797,1.262820975679544,2.070237406020272,4.31916435031006,0.1846482488757673,3.5474233970264097,0.5753725937677188,14.044152007616702,0.2237549172625972,0.2558836167093838,-0.1846482488757673,-1.2534310737435417,0.4461188195546818,-14.044152007616702,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,6.535770600824218,7.316617073178317,8.095344789656675,8.864903381881474,9.619650792977742,10.354911494212187,11.066841681854507,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_23,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1001677877712909,0.726904636740759,2.1957785601639124,4.1423514924696665,5.819456328542036,6.869497129799565,7.407715228567164,7.656563562770192,7.749490245918117,3.480604852253668,0.5222032102017827,0.0035723662594422,11.835798760458204,5.6377682521011145,7.116702002148262,1.7482829792346777,0.9483946543002392,2.0627553045689173,0.1661714491277827,2.2777662473225013,0.1104641540490137,8.06540225405685,-0.7133198369775883,-1.5939338426414886,-0.1661714491277827,-2.0426914299998504,-0.005855860340434,-8.06540225405685,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,7.884488273697588,8.616478523485025,9.345100047314643,10.06680595993523,10.776853973709205,11.470314052417848,12.142724938198556,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_24,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.230878796134367,0.9518546707777537,2.1259001559269968,3.5492691818337514,4.834206648965916,5.671648390109822,6.109330393792091,6.313425932666361,6.389906374906281,3.0605721451063257,0.750518889094149,0.0249506101803341,7.538816729652808,4.693207307815245,4.161869194923323,1.6988209231203135,2.665477443030469,5.809398444739801,0.4782280442688845,6.491301797181546,0.3016128876077236,22.89194810053004,-2.116802999658377,-4.714258347980024,-0.4782280442688845,-5.942627353809454,-0.0331467433804953,-22.89194810053004,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,9.527130519005484,10.16238744865711,10.80568029740774,11.448731306875294,12.083643240714638,12.703676169994225,13.303538575507794,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_25,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173153320587877,0.912931364897561,2.19158442997128,4.066027590624849,5.915536755541899,7.149290741588555,7.797324966085269,8.099826320853436,8.213208334117882,3.392256425627013,0.7157243292398311,0.0232746940540937,11.878628466082342,5.64125968446073,7.121388962253963,1.7456108223854307,1.761552123676553,3.875296574120082,0.3512527485337186,4.571574111946303,0.1252917915353432,15.83281558905714,-1.7509753616606347,-3.854202808793636,-0.3512527485337186,-4.560997349930385,-0.1205851324382596,-15.83281558905714,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,9.34805704875694,10.134689169640916,10.89089687219194,11.614914299066932,12.305413542405065,12.961530729356491,13.582887304621996,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_26,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177851787534389,0.913583810949068,2.188949740510999,4.008415113984088,5.744633518201404,6.881395702317706,7.473481238363899,7.7488665803788015,7.851933140693789,3.362639434056753,0.7164257423618967,0.0233344151477174,11.6300522376849,5.891378013570323,6.693292633271172,1.776514262052277,2.138956778865026,4.706885617644991,0.4277913557730052,5.561287625049069,0.1497269745205517,19.25061100978524,-2.138956778865026,-4.706885617644991,-0.4277913557730052,-5.561287625049069,-0.1497269745205517,-19.25061100978524,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,9.470571159563956,10.236142500173376,10.97558843460279,11.686189447210795,12.365867256475664,13.013180240032147,13.627309400950844,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_27,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1553196316592247,0.7774562490286171,1.8984687919891003,3.5550564433022647,5.23646203553402,6.383269957850763,6.9931167583628895,7.279467686085976,7.387064051640388,2.954315305870657,0.6001808023268137,0.0096127307744991,8.919343731710972,4.418794355879399,5.076337194427202,1.2856797800390354,1.776267998348712,3.6550220176806447,0.1007774371513986,2.48838116166986,0.5890890405999337,10.614569733101408,0.8180232762505365,1.5463546779780608,-0.0908715072682364,-0.0129610456685581,0.5175542416056385,-10.38673334578868,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0158,6.520352419683784,7.285100835388924,8.05279025205869,8.815676917181737,9.56722347268545,10.301877016383632,11.015032658840004,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_28,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175273270244621,0.9143352251477176,2.2211013904428745,4.155749127180833,6.015047552715644,7.226146447505568,7.854196235093715,8.145638204439216,8.254604167396007,3.464567297632747,0.7165240403539196,0.0232301515611842,12.21919762622423,6.294216225936457,6.901345832426529,1.8254063126821585,2.2899849298983384,5.031680451401321,0.4506736175774912,5.895373870518268,0.1740302608469645,20.46339700104152,-2.2167512458765737,-4.885626853672513,-0.4506736175774912,-5.822140186496503,-0.141441271457279,-20.46339700104152,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,9.387418793678156,10.16451057617375,10.913356565547002,11.631638659539515,12.317626588439808,12.970164822075574,13.58866283289435,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_29,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2176108121845267,0.9128890939787104,2.14877802421687,3.8223641712558223,5.4064653535341645,6.455336606233167,7.006497996425603,7.264025369970393,7.360601213328454,3.233923185484004,0.7163378842430226,0.0232427131061898,10.390767128818224,5.121151380172993,6.302594098200996,1.684311312117379,1.9596403979930288,4.307043562577995,0.386838861738099,5.05435129189782,0.1467171113479621,17.534979224727124,-1.908748219387961,-4.205546746176978,-0.386838861738099,-5.003459113292752,-0.1240700918687069,-17.534979224727124,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,9.40853736196388,10.18232604690998,10.927958672280116,11.643223557108067,12.326451894926493,12.976519692078194,13.592845899947095,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_30,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2312075037307996,0.9546244624529172,2.1734653394182044,3.754090555786548,5.238000549698322,6.219093155218104,6.734436788502783,6.975199303835451,7.065484468365691,3.2012123111788893,0.751971388463828,0.0249738140408112,8.587921062589837,5.163756525761608,4.6755520865752525,1.7561304738114758,2.5344905342303297,5.523497270085881,0.4543214795035581,6.169062370258795,0.2876160016813084,21.75888226122281,-2.0087242608052525,-4.474083133559259,-0.4543214795035581,-5.643296096833717,-0.0304090339711819,-21.75888226122281,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,9.481625652088036,10.118296385086074,10.76305310641708,11.40776527752376,12.044550516851068,12.6666212989762,13.26861788579764,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_31,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1004485091685062,0.7293280254951854,2.257427058057943,4.450942914733824,6.437728983667282,7.699302083582859,8.347557191798781,8.64734823155954,8.759290929084806,3.686727594623337,0.5233840861851634,0.0035978007963651,13.727771050284575,6.682950609745124,7.889330406245012,1.851295810780515,1.0295874826434015,2.25520724417523,0.1957783611850139,2.595814372123513,0.0910820025544126,9.063504636917289,-0.9281961292067372,-2.052997398448818,-0.1957783611850139,-2.4944230186868483,-0.0459628502750969,-9.063504636917289,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,7.810867524822084,8.54997664972735,9.285506437138018,10.013557460948311,10.729244032560825,11.427617514440636,12.104264267341264,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_32,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.156243754972722,0.7787015036158254,1.8897909719585824,3.503581852051655,5.112326041423237,6.196379588266124,6.76923489617778,7.037434005297258,7.138086611264065,2.922064683003669,0.6017201376936214,0.0097354583633848,8.626366019668547,4.241306808390934,5.017818165068934,1.2626818342129618,2.0698515857710977,4.318448449019,0.1847004579565853,3.547455249423781,0.5750956818702342,14.043267087987196,0.2228470062052443,0.2540188274462017,-0.1847004579565853,-1.2547566574474385,0.4458053613006246,-14.043267087987196,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,6.543215353687808,7.322173575748141,8.09948864199506,8.867969550834777,9.621883453449495,10.35649359959836,11.067913179066778,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_33,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1001863184672497,0.7269548391237387,2.19538206619425,4.141074359652042,5.818001634935956,6.868281375098163,7.4067175415367075,7.65568683856264,7.7486618158861935,3.4795770054442685,0.5222559801011226,0.0035735282028759,11.825369039861684,5.633626841179535,7.112083293265448,1.7477696996173502,0.9447292762851474,2.054455491744889,0.1652114524452774,2.2664208958473666,0.1106330546119954,8.027875430331285,-0.7073852481676266,-1.581108429268712,-0.1652114524452774,-2.0290768677298456,-0.0050149620996986,-8.027875430331285,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,7.885157849163959,8.616909637245522,9.34532307143046,10.066848875695523,10.776742828821206,11.470072949113808,12.142375880861575,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_34,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2307868833106257,0.9520705068297284,2.127108888200636,3.55291252061175,4.840181679756967,5.679027902059104,6.117407219510763,6.321820222417398,6.398418449394501,3.0633105804149,0.7506438052976593,0.0248801117997229,7.554068034829349,4.702563023517733,4.168042469044509,1.7001153509999376,2.665709628578384,5.810031622409093,0.478394160291157,6.49286291090764,0.3013734101352863,22.896431348715065,-2.1182319743331863,-4.717280639761169,-0.478394160291157,-5.945385256662444,-0.0335025020685232,-22.896431348715065,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0158,9.530533344782318,10.16333514248756,10.804588479770082,11.445989090625066,12.079597406875354,12.69862553609365,13.297734507382987,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_35,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1027020347831694,0.6000176983656018,1.6980058154826465,3.437575627011703,5.18432697804012,6.345596130300103,6.952982797050598,7.235845713563534,7.341756122315034,2.804404546291555,0.4461760718826827,0.0053703478573461,9.59212025708026,3.489946066026252,5.7746362250915455,0.7302220396955644,5.547562317571745,12.301342118594087,0.5193353916628457,2.3564428263110404,0.4535852324649826,15.79095938050575,4.174553626157232,9.333282850431928,0.2968648999553177,-2.0206302361909416,-0.3192601964169432,5.213076761604135,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0158,9.713511248744355,10.4530295855723,11.193120609697727,11.92543531770023,12.641373198109187,13.333538284749784,13.996310341238557,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_36,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1008700372268781,0.6187238259829406,1.852624359759477,3.762238319630071,5.612172765603993,6.825369960416984,7.457261884845327,7.751135781354069,7.861116903681768,3.077909886270757,0.453450301992654,0.0051640563519819,10.482768010027682,4.328507994660982,5.955158922202236,0.9720934814154032,4.808173652645811,10.575921131209354,0.4535225681388784,3.0094589674658634,0.532088669419209,15.91333840727223,2.465649310891825,5.589265435459224,0.1494657907823412,-2.6700021315222515,-0.3963059350417642,2.053783133292686,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0158,9.973293675085394,10.697437044214814,11.419057330542588,12.130777090924893,12.825120843673236,13.49569686371868,14.13765563114784,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_37,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.099076152793164,0.6197742872800994,1.7797591928700915,3.3797514818492043,4.861276161043715,5.828247611387344,6.33309435796747,6.568338371114698,6.656461083210988,2.821122215675407,0.4538741164455653,0.004931894595124,8.351277140990318,3.4435263600419965,4.978847517019586,0.8720285682432086,5.961147594518314,13.165965662619705,0.5573274355803959,3.0719479351806465,0.5777505107623939,18.23410099244025,3.7277684179558417,8.403122577694578,0.2590969137508079,-2.7719119400153347,-0.4577361126962692,4.8047001434301695,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0158,10.100332365658396,10.808067211823332,11.516259335253256,12.21696044415446,12.902203443303126,13.565193274285916,14.20076015577116,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_38,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1024855723179515,0.5997077010032166,1.697718820603772,3.4368135133294664,5.183629460651724,6.345289158591965,6.952977109756693,7.236001144199733,7.341975138180362,2.803779044164679,0.4458326528072014,0.005347046622887,9.594900468153575,3.4905568167702854,5.775046762100523,0.7285262674088361,5.573763203843778,12.359249213539032,0.522599498877806,2.384861457475976,0.455849049911035,15.898849620753031,4.177771470147603,9.341354437013967,0.296255805276666,-2.050162781261024,-0.3219695794250544,5.171608495632674,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0158,9.7231394598708,10.462556239362844,11.20266847547849,11.93504574945866,12.65103648976508,13.343216572661197,14.005953490544936,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_39,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1009205165825139,0.6186116111162817,1.852367828260136,3.763218893599478,5.614821626608832,6.829161997866665,7.461652573495539,7.755805026801821,7.865890393961484,3.0783443152038714,0.4534208689491759,0.0051691286826741,10.494466172721484,4.33026875998401,5.962344284975823,0.97132416017288,4.80604783848034,10.57119220027356,0.4527899886480332,2.99867798047404,0.532089518245386,15.888862955437371,2.4725682186863422,5.604405846728951,0.1505088743731406,-2.6579988480508585,-0.3958178652761133,2.0942227223257577,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0158,9.972590567420845,10.699250074003851,11.422941730754312,12.136323388204236,12.831962839209924,13.503516215439154,14.146182450068212,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_40,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0991627750806661,0.6198305447596021,1.7800497482662083,3.3825391775422555,4.867577218707386,5.836974149518252,6.343072375000334,6.578891857762224,6.667228648453626,2.8228024826456903,0.4539668022334716,0.0049407701819526,8.369265878143429,3.4489487419925373,4.986421831328651,0.8716390136826245,5.968095569610156,13.181555605665132,0.5582427008563299,3.07796274877056,0.5779710032973865,18.25873119200353,3.7304679245361134,8.409298514604423,0.259098902220363,-2.7788276900062567,-0.4583169797916657,4.797303952743348,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0158,10.08341916465452,10.793884305457984,11.504320352456814,12.206859451738875,12.893605384515864,13.557824450684384,14.19439876633854,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_41,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0636763212166768,0.3754585129394069,1.2211435760765283,2.683158070624009,4.194015551154667,5.21890798339496,5.761154876738895,6.01508003030786,6.110379663884702,2.1450601941030354,0.2733428927201027,0.0039658025471505,6.7263690516019485,1.864714093015753,4.401073373061588,0.3336226764697068,7.272533955737925,15.930591479430523,0.7340520218032053,6.529457608564626,1.030425889743824,25.855711067914832,1.2886916604489416,3.2857020506911687,0.0442412160319644,-6.529457608564626,-1.030425889743824,1.7123328659214074,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0158,14.000491743285554,14.827436459878246,15.57825323613431,16.25901271500585,16.87602953627124,17.435417110579532,17.94287980616328,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_42,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0639211245652389,0.3724178816488296,1.2074980904115495,2.639705835239156,4.138646505539204,5.172064424703707,5.7241002057201005,5.983801448697737,6.081459458599487,2.1119004133055315,0.2713564393103445,0.0040438285143305,6.748784579003134,1.8982322057848031,4.322559672916761,0.272477629204662,6.856718482851335,14.945487405467407,0.7082318266041604,7.181187099984308,1.0480438115476776,25.800214656379712,0.0556633939373024,0.5698564356666356,-0.0798334741688297,-7.181187099984308,-1.0480438115476776,-1.7820708706749449,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0158,14.48146420497762,15.268037168526146,15.980664606203382,16.626039379026867,17.21072476437527,17.74083820001342,18.221944819379274,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_43,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0711131713584586,0.3804739635020134,1.3919893149678852,3.418030950791371,5.506831614942185,6.885582285980124,7.602691234237563,7.9357469236740625,8.060307814411335,2.6635392490396628,0.2783264221688414,0.0051379590326855,10.200906748982495,3.354680107189586,6.160296158868955,0.6086044204095832,6.734325147713885,14.711621523623824,0.6657871082320828,6.186681423604217,1.0083139480684584,24.34242597803466,0.8672450275366594,2.350655576193314,0.0252647258816031,-6.186681423604217,-1.0083139480684584,1.9241425957678784,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0158,15.39097924030848,16.06487378397804,16.669126873494893,17.214189615820516,17.708341349256724,18.15818024071156,18.56902361759977,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_44,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0696737697866403,0.3660728997235321,1.2702983872385605,3.0623337311258134,4.958115428768301,6.234458611072848,6.904934966439948,7.2177254181106525,7.334923427389036,2.390253025885984,0.2699996599270409,0.0049635760764596,8.81199279255428,2.659275930424548,5.375025082319827,0.4128343392791652,6.505854499181015,14.266636050163015,0.6452337088775885,5.4800137339356825,0.9082251097069648,22.701732391247248,1.5017707712809194,3.7070612421357385,0.0827322248007692,-5.4800137339356825,-0.9082251097069648,3.014180448558572,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0158,15.535749679356162,16.2087499646677,16.810018560840106,17.351223997334955,17.841206940333613,18.28680456428813,18.693424935478635,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
RSM0158_45,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637145486286741,0.3756265823859036,1.2207913143031248,2.680981389473517,4.190068756402536,5.213825455818256,5.755479241259899,6.009127126162466,6.104322689344578,2.143557626987892,0.2734803670826857,0.0039699122011989,6.718583208983319,1.862408832842005,4.395633488284362,0.3326919501672389,7.279128165731222,15.945737674667058,0.7348618024385574,6.531076087375753,1.0304183408761718,25.87049050851928,1.2969202432691542,3.303826691945849,0.0447789620160223,-6.531076087375753,-1.0304183408761718,1.7175910937305596,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0158,14.205282847839628,15.004460127773834,15.732784487321853,16.39505027659886,16.996667758304667,17.54309270384294,18.03954043720355,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
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RSM0158_48,RSM0158.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0695254108249112,0.3657755111725315,1.270802806429677,3.0652603968744003,4.962997493337529,6.240320350480074,6.911228527600913,7.224203999661363,7.341468856767949,2.3923158141780085,0.2697131101863324,0.0049425850619738,8.824109477039466,2.6639501830468606,5.382082902892968,0.4137299119662781,6.5053305671793,14.265114093212334,0.6453703124346185,5.48669278204074,0.9085221885664616,22.708817089742457,1.494387448205474,3.690834789992632,0.0818767798730881,-5.48669278204074,-0.9085221885664616,2.986543450088896,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0158,15.271489022750504,15.978125663703343,16.60738328488396,17.17208358901154,17.681946622734788,18.144487239135564,18.56564191536041,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn],pcu.cat0","linker [CH]1C=NN=N1, [N]1C=CN=N1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology pcu"
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RSM0244_48,RSM0244.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.068049502269909,0.3546360252400541,1.281864954376357,3.250906186985396,5.401863430264497,6.865745226796547,7.637401754343251,7.997827564553623,8.132932883636478,2.5010813102652385,0.2615384914991419,0.0047761325142927,9.7081096601195,2.9555385124737423,5.883729350061155,0.459405046469638,11.498025877326947,26.72827422679348,1.0080221510674146,7.344852951659771,1.1018017214307627,32.6481841137482,4.791774301615047,12.53486824650863,0.213712862353235,-7.344852951659771,-1.1018017214307627,4.84735900875192,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0244,15.51480791317403,16.20247408921357,16.81681320820351,17.369659246673145,17.86992196800671,18.324489318863986,18.738833140360487,[Cd].[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1cnn(c1)CCn1ncnc1.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], n1cnn(c1)CCn1ncnc1, nodes [Cd], topology "
RSM0244_49,RSM0244.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0581516456595531,0.3514628517332004,1.319782541243467,3.177822504211371,5.130383602539788,6.452082149215435,7.14926576532807,7.475192244738599,7.597421277870744,2.485607009445114,0.2513172651922924,0.0034671726125292,8.57379208839189,2.933916443319229,5.010829483233911,0.3726784905560042,14.6542103288344,34.43584587556245,1.240669766487472,7.165476844510503,1.1684108821958477,37.86239869118385,8.564578492797164,21.528168633327898,0.500739395134895,-7.165476844510503,-1.1684108821958477,11.964835693843652,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0244,14.858401129976633,15.657288302345602,16.375031392870202,17.0210338157891,17.603317347202665,18.12883514791151,18.603685974646258,[Cd].[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1cnn(c1)CCn1ncnc1.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], n1cnn(c1)CCn1ncnc1, nodes [Cd], topology "
RSM0244_50,RSM0244.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0639414405944439,0.3622343261818921,1.3263693992440553,3.2280622658140885,5.294554682254877,6.724484895037736,7.487196675116253,7.845567183497552,7.980247406641211,2.511325291103542,0.2621397442673766,0.0041896157523384,9.54585259204062,3.071066865097596,5.648060373292599,0.344385568261471,10.461674794420434,24.02699369308676,1.0056901739942106,9.089949538257894,1.133529602167755,33.159972454265855,2.094654069734529,6.237400204897312,-0.0639655091825881,-9.089949538257894,-1.133529602167755,-4.277976456922101,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0244,14.627335110392847,15.406536215793128,16.10911798600655,16.743795477418733,17.318170321316913,17.838847870683406,18.31157818804068,[Cd].[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1cnn(c1)CCn1ncnc1.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], n1cnn(c1)CCn1ncnc1, nodes [Cd], topology "
RSM0244_51,RSM0244.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0680565724283779,0.3546488080341686,1.2818700111946213,3.250894518855139,5.401839654125867,6.865716271110518,7.6373708781515,7.997795960675737,8.132901033186693,2.501075368769062,0.2615510518024275,0.0047771248530223,9.70791642232664,2.9555294606387026,5.883588653440875,0.4594261789738183,11.498301131914246,26.728972411405664,1.0080330194643567,7.344603666231242,1.1017972132771696,32.64831702939559,4.792314363282896,12.53613521051306,0.213763142675429,-7.344603666231242,-1.1017972132771696,4.848871341783122,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0244,15.515306939406813,16.202895099108236,16.81717136240099,17.36996630710651,17.870187134316232,18.324719851830466,18.73903482262531,[Cd].[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1cnn(c1)CCn1ncnc1.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], n1cnn(c1)CCn1ncnc1, nodes [Cd], topology "
RSM0244_52,RSM0244.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0723711434697878,0.3563258999766684,1.2009884609953116,2.886353371271491,4.684954749424807,5.905372409266625,6.549339216239094,6.850403272609174,6.96330972023986,2.252775794627232,0.2664681739870496,0.0054059181842566,7.85289575008589,2.226728729714861,4.883809425126217,0.3174433333687484,7.65965067964141,17.08121437905713,0.8397087207084107,10.215762161907891,1.1110199493712674,29.836418221958752,-2.110906301773672,-3.707131292526291,-0.4235528923683303,-10.215762161907891,-1.1110199493712674,-14.37773823572719,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0244,16.02663633129523,16.61878718762575,17.154369248707848,17.641495552128013,18.086559091503595,18.49464384736952,18.8698467700284,[Cd].[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1cnn(c1)CCn1ncnc1.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], n1cnn(c1)CCn1ncnc1, nodes [Cd], topology "
RSM0244_53,RSM0244.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0639227519938037,0.3621923332199097,1.326313458413265,3.227995691617721,5.2944777291175456,6.724400473132961,7.487108186954999,7.845476769082996,7.980156266042521,2.5112623138864185,0.2621018636636225,0.0041871717007721,9.54549740684199,3.0709403980224272,5.647846785313233,0.3443661933312166,10.461498510945344,24.02658791758521,1.0056758351051416,9.0898331716502,1.1335083830498582,33.15944611378294,2.0945975159030272,6.23724477496714,-0.063968633091514,-9.0898331716502,-1.1335083830498582,-4.278110273100006,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0244,14.627978624651105,15.407114215703947,16.109639623691198,16.744268292973004,17.3186005883946,17.839240849503277,18.31193831946464,[Cd].[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1cnn(c1)CCn1ncnc1.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], n1cnn(c1)CCn1ncnc1, nodes [Cd], topology "
RSM0306_0,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0151962835369784,0.3466570219152286,1.438378915446073,3.176170115826478,4.978160563377046,6.224284673933969,6.890952754724819,7.2047543479829805,7.322779444967689,2.541552199181361,0.2150382696964841,5.278389709199842e-05,7.493739591541616,3.313682694623896,4.193017046161481,0.6392313523400652,5.10020730945011,11.196746295904138,1.0143153299214445,3.1288379692930004,1.8122489908974084,55.50103654725054,-5.10020730945011,-11.196746295904138,-1.0143153299214445,2.7852700511783324,1.8122489908974084,-55.50103654725054,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-12.0,-25.9735986,-2.0,-12.0,0.5900000000000001,-90.0,RSM0306,15.26767034915423,16.368583504463214,17.29818093736806,18.084832060627694,18.753001047195056,19.323135456334256,19.812055994547457,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_1,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0215574039203885,0.3691363328677784,1.444190521307997,3.1964310245109844,4.9830575196385976,6.195315421765219,6.837553698623701,7.13854221230271,7.251545656670359,2.557343169338324,0.2378970839966546,0.0001291339996428,7.739241263742801,3.397337872700818,4.389129320037733,0.6497358830783972,5.240631402452606,11.497483749230309,1.034375914636087,3.309383231724779,1.7873738658512528,56.20315701226304,-5.240631402452606,-11.497483749230309,-1.034375914636087,2.484361280458702,1.7873738658512528,-56.20315701226304,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-12.0,-25.9735986,-2.0,-12.0,0.5900000000000001,-90.0,RSM0306,14.372162983394045,15.421830281026056,16.33979666756448,17.140635638662634,17.838966838103545,18.44847238478126,18.98144719668789,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_2,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0151922369409811,0.346617664462275,1.438293795711007,3.175997589006604,4.977848708889157,6.223860893581776,6.890466178071292,7.204237719790115,7.322251445545909,2.5414181337725865,0.2150091769082228,5.275224885200887e-05,7.492719994319077,3.313332364284783,4.1923909720348265,0.6391620222760506,5.100187174156176,11.196703173410766,1.0143124534508825,3.128812081057941,1.8122525577209057,55.500935870780886,-5.100187174156176,-11.196703173410766,-1.0143124534508825,2.7853131982367656,1.8122525577209057,-55.500935870780886,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-12.0,-25.9735986,-2.0,-12.0,0.5900000000000001,-90.0,RSM0306,15.269044013598863,16.369868801602035,17.299372421986085,18.085930787425244,18.754011548780063,19.324063923072785,19.812909212584923,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_3,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0215574818981687,0.3691295208128627,1.4441648206877842,3.1964097781450893,4.983048937365575,6.195312045294902,6.837551485438769,7.138540148047652,7.251543582843205,2.5573177839717616,0.2378934331080598,0.0001291441120377,7.739159190086636,3.397282352146654,4.389075581671756,0.6497306982235513,5.240543012279579,11.497294449552689,1.0343632874685114,3.309269587216602,1.7873895235390456,56.2027150613979,-5.240543012279579,-11.497294449552689,-1.0343632874685114,2.4845506879723285,1.7873895235390456,-56.2027150613979,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-12.0,-25.9735986,-2.0,-12.0,0.5900000000000001,-90.0,RSM0306,14.372761426728124,15.422411576112742,16.340360539181365,17.141179711496353,17.8394886691104,18.44897020594752,18.98192006275469,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_4,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0619361969794454,0.5768628588971505,1.7512938937026123,3.4927777321164366,5.212732158502075,6.360922374082476,6.9644763116773545,7.246344933118865,7.352016314331722,2.866426049612788,0.4070640148820509,0.00120460379986,8.466591186190287,4.2603001305449855,4.767047603124452,0.9552786762664136,7.582298111944117,16.16050933068219,1.0240939381057794,1.3132211953751354,1.036053474133205,39.77508510768399,-7.582298111944117,-16.16050933068219,-1.0240939381057794,0.2249503832096461,1.036053474133205,-39.77508510768399,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0306,10.817906113366588,11.812266621248456,12.740080389434986,13.5997898524505,14.39197980771601,15.118837849420997,15.783658210943177,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_5,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0595920101628504,0.571097655260345,1.8167924118511627,3.861275026682078,5.979295241219971,7.41469240042993,8.173056757104561,8.52790486964647,8.661034550014794,3.1081629161767284,0.4007768691409338,0.0011018193434023,10.89056002202468,5.092286818999366,5.944104297017451,1.006098124127502,7.7276105751384225,16.470451455271377,1.0436264485737912,1.5671438314592825,1.00801288513926,40.41579852447325,-7.7276105751384225,-16.470451455271377,-1.0436264485737912,-0.0766221637287506,1.00801288513926,-40.41579852447325,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0306,10.903727201479612,11.906271477819324,12.842100343378576,13.708681137626511,14.506142164930845,15.236562895862663,15.90333483994422,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_6,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0592425270263551,0.5693501812122868,1.7674725724457143,3.588368426128951,5.397975557855114,6.605221365144792,7.239099567423453,7.5349378737916,7.64581401795691,2.9306764278649147,0.3997302779154099,0.0010867130186419,8.884999870285052,4.431767327319947,4.919055118208681,0.965407281154758,7.644347336860938,16.291331808841818,1.0309557594719807,1.4024248731357511,1.0213074841068464,39.94516647873396,-7.644347336860938,-16.291331808841818,-1.0309557594719807,0.1080065873632144,1.0213074841068464,-39.94516647873396,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0306,10.817539515155676,11.819602815404592,12.756381805204104,13.624999899849024,14.4252636632075,15.15898145936805,15.829331395158388,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_7,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0619374825165306,0.5768701588448313,1.7513204920837668,3.4928395725119934,5.212831291995814,6.361046633740348,6.964613666152071,7.246488359422006,7.352162008730048,2.866474781067468,0.4070693467949877,0.0012046527444583,8.466812947032077,4.260419811907809,4.767198823372293,0.955308150309486,7.582465010303916,16.16085655371359,1.0241078752039012,1.3134023776507184,1.0360053364220718,39.77522621275351,-7.582465010303916,-16.16085655371359,-1.0241078752039012,0.2246719880648714,1.0360053364220718,-39.77522621275351,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0306,10.818280958880566,11.812474491468784,12.740174022498874,13.599805677497462,14.391943024950518,15.118765944372962,15.78356335697165,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_8,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0595897408717812,0.5710921073749535,1.8167908319336488,3.861270385057576,5.979296995640228,7.414705598884746,8.173078021595158,8.527930341358259,8.661061667855845,3.1081590035986992,0.4007711188165381,0.0011017361579567,10.89069701075236,5.0922000577488,5.944387306424259,1.006114229326973,7.727845607237466,16.47095404786396,1.04365928659268,1.5675707257048372,1.007969867140602,40.416922025300245,-7.727845607237466,-16.47095404786396,-1.04365928659268,-0.0771198999789043,1.007969867140602,-40.416922025300245,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0306,10.904275706968336,11.906673256684588,12.842400796182142,13.708912174216646,14.506325760862964,15.236713973226111,15.90346343470205,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_9,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0592392693697795,0.5693619584850905,1.7675788829381958,3.58864922954486,5.398413933115508,6.60576021072923,7.239690788369099,7.53555355507918,7.646438875926547,2.930895937464572,0.3997345313411471,0.0010864612422458,8.886661529103081,4.432383134642875,4.919967314028601,0.965537303767602,7.64443457099462,16.291513468226547,1.0309632123484973,1.4025217605304656,1.021282639060827,39.94525200942173,-7.64443457099462,-16.291513468226547,-1.0309632123484973,0.1078597302174017,1.021282639060827,-39.94525200942173,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0306,10.817287358836474,11.819453315635894,12.7563167761823,13.62500177111034,14.425316909152794,15.159073075820936,15.82945086006031,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_10,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420888488929101,0.5059809390542401,1.618792124139309,3.900743534253139,6.319054306660523,7.945716247784034,8.799929541513306,9.19839887479942,9.347695427574097,3.043084085510156,0.3936860780715558,0.0205153010041947,13.9022035581015,4.3321426033741295,8.31686049993813,0.6310863410881692,5.148424080703255,11.123788038665015,0.8307769959339781,11.316532888590707,0.6595340557759014,32.59155949670634,5.148424080703255,11.123788038665015,0.8307769959339781,11.316532888590707,0.6589364218264209,32.59155949670634,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0306,2.969393756889586,3.590882598544576,4.243340958537869,4.909473073538887,5.575052807857973,6.229288787463231,6.864615063270191,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_11,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398569386629898,0.5063996148331069,1.6991153094171598,4.114871300440153,6.60686085308456,8.25972801088067,9.122514535299356,9.523974730634183,9.674240445578764,3.216237224782067,0.3911901186518299,0.0198960629860759,15.9030102792702,4.891939860458018,9.586569354543869,0.549120514555539,3.937867379855031,8.610643972176502,0.7344947226068059,9.70785646989707,0.3588144625035616,31.76503194225592,3.937867379855031,8.610643972176502,0.7344947226068059,9.70785646989707,0.358682001640046,31.76503194225592,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0306,2.819924408563758,3.4689798656188136,4.148824902210917,4.840655380996839,5.529445721220397,6.2041059586264655,6.857093382035055,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_12,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407762616830607,0.5107734461497924,1.7007661553521214,4.073462884437988,6.5108403747375325,8.128329315902226,8.973443545270866,9.366900010645098,9.51420746369749,3.193268228178176,0.3942503766686344,0.0201423935646495,15.43885955260452,4.81488661329854,9.327058048049684,0.565164176543426,3.896092988424363,8.50425156170199,0.7122069827153984,9.3934812057073,0.3674569696470053,30.449124214621165,3.896092988424363,8.50425156170199,0.7122069827153984,9.3934812057073,0.367206635091455,30.449124214621165,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0306,2.895245176893876,3.5340020384004385,4.20296662644347,4.884168879740599,5.563078174363766,6.228849968853132,6.874019848235793,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_13,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1435596896250376,0.5187580259163878,1.7151700794153888,4.08047347977717,6.488026734885272,8.071059265894398,8.893522241062392,9.27537350037358,9.418165769310448,3.205101176503702,0.4004266849727042,0.0209194019359431,14.636795598043475,4.801300544591902,8.673379163685077,0.7519892439825193,4.737062754046403,10.262913669644185,0.7918049065511609,10.428119249025157,0.5735492752181928,32.11702682817974,4.737062754046403,10.262913669644185,0.7918049065511609,10.428119249025157,0.5336737510911336,32.11702682817974,14.0,29.965822,2.0,15.0,1.2399999999999998,90.0,0.0,0.0,0.0,0.0,-0.5900000000000001,0.0,RSM0306,3.191424220758418,3.831228007747542,4.495470132920029,5.1676005102287625,5.834404676310389,6.486120876823256,7.116108745597327,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_14,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399541455605255,0.4828262704370265,1.3664968338996184,3.029084417583815,4.722553025275188,5.839863713149359,6.421525926107738,6.69183921338036,6.792963756452092,2.414728932838916,0.3821260803900175,0.019931920625582,9.703774099029143,2.564328695220872,6.108382273794309,0.2792021051112332,4.756347421335743,10.249456055189585,0.7408461733942748,10.50977463271664,0.7007283289951372,28.14249834683551,4.756347421335743,10.249456055189585,0.7408461733942748,10.50977463271664,0.7005116512754205,28.14249834683551,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0306,3.2814286135275434,3.9098965767341847,4.563642567301375,5.2269494338923055,5.886801445442099,6.533336098666495,7.159701141132508,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_15,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141655023546965,0.4845949044169825,1.3710453124032973,3.017519581319758,4.677415055325512,5.76623731277242,6.331288507844652,6.59348121627479,6.691503250845771,2.41172567567038,0.3838112756175943,0.0204359743091182,10.197090033181796,2.692752751293189,6.461557917355737,0.2505279383305264,3.949812259101929,8.509380935301909,0.6131821928858467,8.757473586002424,0.6010335711837701,23.23262706217664,3.949812259101929,8.509380935301909,0.6131821928858467,8.757473586002424,0.5944555562774615,23.23262706217664,14.0,29.965822,2.0,15.0,1.2399999999999998,90.0,0.0,0.0,0.0,0.0,-0.5900000000000001,0.0,RSM0306,3.066695569378406,3.728540176360874,4.415720671672151,5.110350126146121,5.798254793088803,6.469096660507582,7.115972797288815,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_16,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420877045674143,0.5059657690978979,1.6187330185568805,3.900692139288935,6.319047807092356,7.945745023738173,8.799977243163381,9.198455415563483,9.347755277226218,3.043022649196708,0.3936775024305212,0.0205150076562333,13.902103190428672,4.33199605012031,8.316920769907409,0.6311002672903807,5.148833282086262,11.124663310869211,0.8308343712586908,11.317426258053736,0.6596124565788365,32.59352032546531,5.148833282086262,11.124663310869211,0.8308343712586908,11.317426258053736,0.659014854086209,32.59352032546531,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0306,2.969367657607805,3.590877221137915,4.243354146054201,4.909502432390282,5.575095866211948,6.229343137874759,6.864678465606981,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_17,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398272871040408,0.5063363914459916,1.699009423475808,4.114781819117682,6.6068166570969815,8.259714311055998,9.122515722780008,9.523982530198676,9.674250664796917,3.2161353524680867,0.3911364433377594,0.0198878446990244,15.902907319827234,4.891655889267426,9.586661185219768,0.5490594093956178,3.938005743490365,8.610933872112213,0.734508569896136,9.707804033471705,0.3588035144920986,31.76542252622309,3.938005743490365,8.610933872112213,0.734508569896136,9.707804033471705,0.3586706766556139,31.76542252622309,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0306,2.8198851774768907,3.468933108694343,4.148772163741232,4.840598285613209,5.529386031231622,6.204045598208205,6.85703442761905,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_18,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408102794881418,0.5108283573506914,1.7008409631516952,4.073538871588319,6.510887286836201,8.128346305950508,8.973442576900101,9.366890246065118,9.514194342135555,3.1933480118078847,0.3943013387352273,0.0201520381175258,15.43908532051605,4.815066687449613,9.32711766116512,0.5652092598885489,3.896307210952365,8.50470378188147,0.7122315229329256,9.393596296551705,0.3674606751418016,30.44988171224199,3.896307210952365,8.50470378188147,0.7122315229329256,9.393596296551705,0.3672099712694715,30.44988171224199,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0306,2.895414171178415,3.534178003201548,4.203144306678215,4.884344346489783,5.563248687241738,6.229013755607632,6.8741758782833005,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_19,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1435588731006915,0.5187345225840495,1.715068369294411,4.080358721078233,6.487939265907138,8.070992336824322,8.893465778743458,9.275321811463796,9.418115850305966,3.204982071971821,0.4004141923975808,0.0209192232159632,14.63651597305075,4.800915634780671,8.673313944480483,0.7519008368121516,4.737281679104598,10.263380197414785,0.791834057530829,10.42839654017583,0.5735456600172143,32.11798558182563,4.737281679104598,10.263380197414785,0.791834057530829,10.42839654017583,0.5336852163733038,32.11798558182563,14.0,29.965822,2.0,15.0,1.2399999999999998,90.0,0.0,0.0,0.0,0.0,-0.5900000000000001,0.0,RSM0306,3.191058827340941,3.83083198487836,4.4950609043055625,5.167190728482873,5.834003063491595,6.485733124416954,7.115738312135066,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_20,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399175550030506,0.4827914484230277,1.3666327489425572,3.0295484518985973,4.723282178208996,5.840741671233688,6.422475527491194,6.6928209926573725,6.793957407458076,2.4150804974190407,0.3820828089850283,0.0199215077676318,9.705501907293751,2.565160381349786,6.109435960980036,0.2795088685332664,4.756745648444603,10.250327291048425,0.7409210423984,10.510622959215606,0.7007421815490977,28.14580386132106,4.756745648444603,10.250327291048425,0.7409210423984,10.510622959215606,0.7005253177635775,28.14580386132106,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0306,3.281021428280629,3.909476614581362,4.563222860578753,5.226539284235152,5.886407000060803,6.532961047693417,7.1593473702102335,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_21,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416479361545099,0.4845735601552243,1.370988778431153,3.0173637999629395,4.677138864859881,5.765879853782155,6.33088891848187,6.593062136385576,6.691076896366646,2.4116104023050937,0.3837943466736252,0.0204340708273098,10.196639920088971,2.692601304527518,6.461155963028888,0.250441717063521,3.948518604326568,8.506571696801874,0.6129597366680767,8.754497119826343,0.600884524889555,23.22347232521665,3.948518604326568,8.506571696801874,0.6129597366680767,8.754497119826343,0.5943109117834797,23.22347232521665,14.0,29.965822,2.0,15.0,1.2399999999999998,90.0,0.0,0.0,0.0,0.0,-0.5900000000000001,0.0,RSM0306,3.0665174667120825,3.728338507066258,4.4155043055134415,5.110126052236223,5.7980283064182325,6.468871643393058,7.115752007991359,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_22,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0814519343078485,0.6155838129683013,2.0388350356769527,4.256984110366675,6.364903177162445,7.733918614660012,8.44443362158319,8.77443907670932,8.897881672742821,3.467643933729742,0.4359449152640231,0.0030796429018976,14.195388157549791,5.674853334282423,8.558630209761379,1.4549671789997274,2.8897660018416675,6.152484257041732,0.3803358904511899,3.264842742689229,0.2777116776305193,16.386875754862977,0.7536635865559921,1.451879814880008,-0.0468845926059451,-2.2890235370535272,0.008142041336234,-6.049885521660389,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0306,7.950497614926991,8.775589637222174,9.585242810986305,10.375151487354582,11.140857908796438,11.878348478009428,12.58441220810123,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_23,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2189949055128227,0.9228614070397624,2.313276930308469,4.493614486092742,6.671812304319968,8.122821228669997,8.883556057375088,9.238306541582178,9.371212773754008,3.702697489789836,0.7211829374781212,0.0236696093380289,14.557365318158396,7.016885569028535,8.160131100553238,1.8606170965921984,2.244725545132202,4.93647526630057,0.4458801324586213,5.811766604801171,0.1628776192239145,20.14123037483344,-2.214075779454012,-4.875348906120272,-0.4458801324586213,-5.781116839122982,-0.14923847349712,-20.14123037483344,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0306,9.441583568359816,10.23226096764068,10.989960208011828,11.71431383225926,12.404683537448763,13.06051756484525,13.681560765658002,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_24,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161639086611308,0.9191463684578106,2.367474920417738,4.690719784497001,6.9612108842166185,8.447226754264811,9.220029734179152,9.579187972409624,9.71356377467725,3.852100341463923,0.7166502878661543,0.022999130714464,15.820484151481851,7.591194514883328,8.803166016046234,1.946029974296844,2.272125291824578,4.999929855175158,0.4544250583649156,5.907525758743902,0.1590487704277203,20.4491276264212,-2.272125291824578,-4.999929855175158,-0.4544250583649156,-5.907525758743902,-0.1590487704277203,-20.4491276264212,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0306,9.118885879471003,9.970676132837555,10.780300168449068,11.54801540081762,12.274206024007263,12.959428104923909,13.604474738280135,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_25,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0796467102088532,0.61134524008138,2.072892428172378,4.509760090697468,6.922518129475766,8.50684758320603,9.330345052146484,9.71276635517354,9.855784893091055,3.62510280581954,0.431919716356499,0.0029191558468937,16.37611934850764,6.307852938639676,9.75806120035636,1.490001589238189,3.063641385713406,6.5656494541111545,0.4448371382479621,3.8568394706098,0.2233174532197537,18.33826427371575,0.34370689141335,0.5802921628101767,-0.0991497606120491,-3.2149902145703466,-0.0915254173301786,-7.621955567002452,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0306,8.046257785251653,8.868083424918135,9.675370754024788,10.464016582618603,11.229348607192424,11.967018918817148,12.673501433135574,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_26,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177651335515842,0.9205308182916284,2.3520555895987503,4.660514902324299,6.925567617615773,8.409450160249014,9.181287294521344,9.54000931516292,9.674222824925408,3.825505908829248,0.719097852585585,0.0232990516898382,15.69560865532396,7.443842925462372,8.752794717654474,1.9447496870046743,2.236624841722015,4.921809268701063,0.447324968344403,5.81522458847724,0.1565637389205409,20.129623575498137,-2.236624841722015,-4.921809268701063,-0.447324968344403,-5.81522458847724,-0.1565637389205409,-20.129623575498137,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0306,9.228495963339816,10.056995770236814,10.84645158792611,11.5970180176585,12.308815760213754,12.982079737596202,13.617275687813954,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_27,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2218388100502878,0.9287591912512916,2.3200014686879813,4.528745707445617,6.751220478725583,8.23110601112739,9.00581080026684,9.366733970163544,9.501893235644806,3.724146539816932,0.7267375083524963,0.0241882196974703,15.001171984965804,7.041262286376564,8.545665160457032,1.8660123621972693,2.172096449278849,4.779747112300248,0.4343571436561947,5.646953598528407,0.1521632755737228,19.547625119518145,-2.1714749872830974,-4.77850769956902,-0.4343571436561947,-5.646332136532656,-0.1518867249856131,-19.547625119518145,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0306,9.420230837541258,10.208633279378176,10.964472113605074,11.687137281376987,12.37593937899707,13.030356406815711,13.650182027963,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_28,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0811477866719293,0.6169072227038541,2.0243715755563363,4.096291812539555,5.940052359464895,7.089339190796014,7.673987420995865,7.943112266968254,8.043409676960481,3.376587641384716,0.4367494770723099,0.0030257529696681,12.566316611021003,5.344851970454638,7.550051844846711,1.4496022753859512,2.731984310297792,5.820212855026238,0.363148688089547,3.0825048494121754,0.2522189735948962,15.494223761375665,0.6971655329035676,1.342488324793823,-0.0438150673892979,-2.2080239718128087,-0.0051784442747889,-5.594881519667943,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0306,8.089720661920625,8.888005407728429,9.67254335099388,10.440223346231614,11.186966533503556,11.908690485423302,12.601895207398949,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_29,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165432605530639,0.9100523558536,2.1812581782498714,3.983460620967995,5.682159620171687,6.786158325246087,7.359246643987742,7.625409770392786,7.72496600250302,3.346590236419642,0.7136894966352783,0.0230545578592286,11.31716546318397,5.702370155911671,6.490464193405495,1.693275366191227,2.4268677303640818,5.322196760811859,0.467670636327729,6.1682328209859145,0.2030736968975245,21.48775137837499,-2.249838632913208,-4.9691387803107085,-0.467670636327729,-5.99120372353504,-0.1242957485318854,-21.48775137837499,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0306,9.383856399504444,10.17218716661998,10.927708530189385,11.65032990208181,12.339533469433748,12.994793463371492,13.615825157229656,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_30,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165349952009752,0.9064707259322426,2.19402702392803,4.052574406208531,5.770775218539617,6.864236742606686,7.425337611057348,7.684544033191545,7.781281571742394,3.3977575546853696,0.7110745242123129,0.0234190463219759,11.694972725389803,5.922660970130552,6.674556249857426,1.7333577849831003,2.3696963546970977,5.214224457985057,0.4735361761718114,6.157985764071589,0.1666345475180618,21.31920529692172,-2.365665407021017,-5.206185337487264,-0.4735361761718114,-6.153954816395508,-0.1648407758022058,-21.31920529692172,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0306,9.415556999736156,10.241628613502108,11.027494793496976,11.773863203871446,12.481125171145385,13.149647289140423,13.779962762741564,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_31,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.081460450341548,0.6156064907090635,2.0388515305851045,4.256971789073472,6.364885470535797,7.733913642877505,8.444439975297403,8.774451708226938,8.897896811870659,3.467640667806054,0.4359654746203241,0.0030803029349641,14.19518357740112,5.674842154315716,8.558536531334196,1.4550125439177757,2.8897592658971143,6.152468076220003,0.3803335272834615,3.26452650259507,0.2776809635815734,16.386177289319114,0.7538621065435849,1.452315310410273,-0.0468459045872444,-2.2888061117241074,0.0081126182561883,-6.048060985736383,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0306,7.950713112689252,8.775767289700605,9.585393218362247,10.375282112970458,11.140973961118682,11.87845357298049,12.58450885104198,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_32,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190033867244437,0.9228643295197588,2.3132171613177004,4.493534977277227,6.671770054133545,8.122815112745286,8.883570288088384,9.238330416839077,9.371240277639496,3.7026151976624178,0.7211926184548145,0.0236701075096965,14.557185654866691,7.016582940448317,8.16016707930578,1.8605309902932807,2.2446637311703923,4.936336304454318,0.4458649209946033,5.811583099127219,0.1628786335059432,20.14061707574403,-2.213985478775641,-4.875153131790846,-0.4458649209946033,-5.780904846732467,-0.1492268111902788,-20.14061707574403,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0306,9.440837253848134,10.231600239791682,10.989375412352574,11.71379615362359,12.40422500894043,13.06011103758485,13.681199865123675,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_33,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216123100730884,0.9190791962320858,2.3674240579540142,4.69068503959588,6.961187338448985,8.447212644826969,9.220021540202133,9.579182781097291,9.713559748912823,3.852061233734012,0.716584509599449,0.0229899895996932,15.820441069374342,7.591021369938712,8.80328878019381,1.9459450872074409,2.2721984364128462,5.000090813645161,0.4544396872825693,5.9077159346734005,0.159053890548899,20.449785927715617,-2.2721984364128462,-5.000090813645161,-0.4544396872825693,-5.9077159346734005,-0.159053890548899,-20.449785927715617,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0306,9.119197471033251,9.970952502278603,10.780541631681666,11.548223938544858,12.274384468071329,12.959579640526972,13.604602604927006,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_34,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0796471535652866,0.6113587572110022,2.072939300264755,4.509813658871176,6.922555175051548,8.506871985801492,9.330363367755911,9.712782032220142,9.855799618253812,3.62515860993462,0.4319280240561454,0.0029191369672575,16.376402137557292,6.308022737278784,9.758208244810117,1.4900921743679931,3.0637095111804906,6.565820375880205,0.4448711760262612,3.857144763402844,0.2232800614199349,18.33921099495374,0.3434565984102141,0.5797623881777467,-0.099179406527794,-3.2155128097998764,-0.0915866794934323,-7.622766140501254,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0306,8.046366372053905,8.868178643265887,9.675451669011002,10.464083626183896,11.229402933197388,11.967061991958182,12.673534784629368,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_35,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178106992086843,0.9206053951658592,2.352124711454277,4.660561027143355,6.925568183485976,8.409413414376928,9.181229932918942,9.539942207207403,9.674152051286494,3.8255633669046416,0.7191703118777453,0.0233096239825844,15.69551720308675,7.444117484218731,8.752603093362456,1.9448615289601487,2.2366265181157283,4.921812957692602,0.4473253036231456,5.815228947100894,0.1565638562681008,20.12963866304156,-2.2366265181157283,-4.921812957692602,-0.4473253036231456,-5.815228947100894,-0.1565638562681008,-20.12963866304156,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0306,9.228094824473551,10.056611142420689,10.84608875253971,11.59667961356247,12.308502635443965,12.981791567730864,13.6170114198453,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_36,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2218370756083292,0.928762682072892,2.3200045113146595,4.528713914312597,6.751180382835931,8.231076821404121,9.005791633970784,9.366720366240184,9.5018818521601,3.7241257142555946,0.7267382216476879,0.0241879393565052,15.00092483662798,7.041227173686437,8.545525465823689,1.8660046783196909,2.172102714790064,4.779761813950847,0.434359283333122,5.64697698145504,0.1521620518319744,19.54769924061276,-2.171490118541157,-4.778540082621839,-0.434359283333122,-5.646364385206134,-0.1518894465012107,-19.54769924061276,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0306,9.42233218857433,10.210545739615323,10.966213861226718,11.68872540010404,12.377389624063884,13.031683107019768,13.65139808328334,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_37,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0811337038206208,0.6168971026894418,2.0244065201154573,4.0964142170195394,5.940277078741814,7.089636939910575,7.674324459800919,7.943467809260064,8.043772177739811,3.3766761709540685,0.4367345289114968,0.0030242396133546,12.567245981016102,5.3451803337222925,7.550509579934831,1.4496438919472805,2.7322112714242137,5.820705891469654,0.3631880492536827,3.08287336224472,0.2522269936406293,15.495777447875694,0.6971072183929848,1.3423535973636764,-0.0438327613525631,-2.208397175636477,-0.0051981937159596,-5.595763522940987,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0306,8.090917331164047,8.889081441585553,9.67351545349697,10.441106231879363,11.187772759356786,11.909430558665408,12.602577827309124,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_38,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165177601740388,0.9100510830669446,2.181305490013599,3.983568306915084,5.68236182427158,6.786437329648707,7.359568801435994,7.625752573001505,7.725316614795573,3.346672236320956,0.7136780783286578,0.0230449799104269,11.317967722713794,5.702454650494717,6.491129323132526,1.693346800061083,2.426772674743846,5.321977576336797,0.4676419166268121,6.167908007758343,0.2030852465857382,21.48670170625548,-2.249646491524276,-4.96872597283285,-0.4676419166268121,-5.990781824538773,-0.1242640950530299,-21.48670170625548,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0306,9.38478555374773,10.1730567508046,10.92852495082412,11.651098579552466,12.34025891836922,12.995479434905276,13.61647479092335,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_39,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2164986192659515,0.9063885585601184,2.1940069201469594,4.052647774644587,5.77086136426496,6.864299683711948,7.4253808185728545,7.684576512240021,7.781309798253948,3.3978073298623195,0.710996362127503,0.0234147411887094,11.69545462110577,5.922927320354122,6.674635916728463,1.7333435169700064,2.369817209430665,5.214495018866431,0.4735648221049103,6.158335786269948,0.1666346167499389,21.32038248925153,-2.3658310116184382,-5.206545145259616,-0.4735648221049103,-6.1543495884577215,-0.164860758723498,-21.32038248925153,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0306,9.41673398104782,10.2426914000496,11.028454574851985,11.774730612667907,12.481910058900985,13.150358633350038,13.780608650041176,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_40,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0240786418893713,0.2820626726051406,1.29356598346752,3.2441329534807264,5.2009329427967605,6.480424280500417,7.14399006007408,7.45188824589572,7.567002791841579,2.5269658163229227,0.1845796795366514,0.0004511218186576,8.991379265990258,2.9665014245917365,5.334893826199007,0.6189315321203337,2.993279149493435,6.440206230030862,0.4629387972022868,2.377410634621624,0.7227113416404082,21.280494789698377,1.3260997429966703,2.899118727526049,0.2532917005126428,-2.377410634621624,-0.7227113416404082,13.94284640556084,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,14.136022667795968,14.986580697276157,15.751852798365883,16.443523695323723,17.070180921422512,17.638598268427934,18.154476496660934,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_41,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0219128974369212,0.2759286270483033,1.2777626299773552,3.2940116193311946,5.399965815647185,6.807969414900639,7.545745614578233,7.8896232946437665,8.018427005053118,2.5409690299919694,0.1797745157977351,0.0003307205189867,9.96808523918432,3.2105651041043544,5.798352663224478,0.4541852857763468,3.637104541909692,7.828381621003059,0.563910100964429,3.8829894467806674,0.8209281452714746,24.49524141377704,0.628291360934764,1.3958806595794102,0.1450253239532446,-3.8829894467806674,-0.8209281452714746,9.834274218385586,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,12.438262313687371,13.497119073840508,14.45860676062684,15.32756943336424,16.11028063452754,16.813790414128785,17.44540112172801,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_42,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0224354788448116,0.2702468967756236,1.2775183468004374,3.2624399285596057,5.2876025606687485,6.624552898415987,7.320879110649336,7.644554723097578,7.765654127594011,2.5279864837991446,0.1754776648503765,0.0004151854795062,9.230385598360918,2.9900417903214485,5.447205473837122,0.5319122061430673,3.435080702653478,7.390564646288357,0.5304371123645347,3.114577674133522,0.8001445746681567,23.7203253628752,1.1289192247827555,2.474856396620748,0.2235389190626921,-3.114577674133522,-0.8001445746681567,12.978888597310709,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,13.203307427957688,14.187414411350488,15.07048659358455,15.863778698498326,16.57691082681631,17.218317918580727,17.79553113716693,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_43,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0222162018182955,0.2548788977754074,1.093852718694311,2.694951681136856,4.3592711269591895,5.475349002522487,6.061260842822219,6.3345878420626605,6.437001820972494,2.100046587256397,0.1684402341445791,0.0004200670875697,7.054613722567797,2.044773668690293,4.327105189284753,0.3321120558942361,2.016838751668606,4.339200964961027,0.312434800986245,1.2015878983401267,0.516633133041644,15.041721770207763,1.2978905095498343,2.830372508832144,0.2396963896620965,-1.2015878983401267,-0.516633133041644,12.495877373862568,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,13.411427404633464,14.373024378012596,15.23904902110934,16.01887804516036,16.72090299835076,17.352785574472396,17.921580965854663,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_44,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0235825465292545,0.2828605648311633,1.3170298027432794,3.464120288566209,5.760755572598188,7.314732457467611,8.133288680876714,8.515674359984208,8.659031934680279,2.654440396663012,0.1850201578944019,0.0004081871495677,10.734994006603648,3.503178248706681,6.273194296553758,0.5594983061535046,4.366351673437915,9.384151822575143,0.6627064820085289,5.0806686214265016,0.9728125007356916,28.49563669149488,0.2209832346417299,0.5336123493555712,0.0970243573866527,-5.0806686214265016,-0.9728125007356916,8.696762329729214,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,13.56098893733424,14.493235779628533,15.33576596864693,16.097034331764366,16.7844713637456,17.404889034500002,17.964645266939453,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_45,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0212112357221273,0.2545019107021384,1.1629350003078864,2.9181007027750776,4.700332292325231,5.876473926200686,6.4892537743307335,6.774166807487117,6.880776829220317,2.27050881096942,0.1662382015681868,0.0003773462026906,8.021493122888513,2.504159619988464,4.839690394638244,0.4091658251959894,3.6698674105032576,7.88480238482181,0.5539757589049923,4.707946728675229,0.8083225909104527,23.496533287595533,-0.2761406574352907,-0.5427699418839805,0.0129032800613865,-4.707946728675229,-0.8083225909104527,4.558996528069334,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,13.256475345607724,14.291445561490802,15.213112549726096,16.03440126950359,16.766775693376726,17.420425863505507,18.004427799398645,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_46,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0240785523089136,0.2820826711156166,1.2936528657382032,3.2442247730709,5.200948707668388,6.480364671159153,7.143885340042362,7.45176137014097,7.566867444530595,2.5270685659325864,0.1845908180488534,0.0004510559356546,8.991488252491163,2.966763503864142,5.334894362994473,0.6190647156064519,2.9927487652040883,6.439080687367983,0.4628729160815277,2.376625832396266,0.722630115854886,21.27827532943569,1.326357496255956,2.8996732853918146,0.2533308410779281,-2.376625832396266,-0.722630115854886,13.944302704309704,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,14.129932176501423,14.980999500317331,15.74672811033919,16.438808218003,17.06583306217086,17.634581560641145,18.150758866971827,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_47,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0219077186069317,0.2759469926693385,1.2779359634095395,3.2942739981834817,5.400211418846323,6.808183590519167,7.545940570960058,7.889808920513054,8.018609091076417,2.541218147597782,0.1797769672373581,0.0003304867226332,9.969004783175768,3.211161410426233,5.798833061964475,0.4543544370653378,3.63737761741731,7.828964537215996,0.5639470388560502,3.883724466331087,0.8209765262761537,24.496469811645,0.6278518445173136,1.3949402327294322,0.144963149947643,-3.883724466331087,-0.8209765262761537,9.832033699850752,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,12.440836426844,13.49945308202422,14.460728070318789,15.329502010114918,16.11204542754053,16.815405762870466,17.446883108281543,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_48,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0224378386830377,0.2702758756004556,1.2776896336390946,3.262811275632061,5.288120257638633,6.625153636738336,7.321520828784705,7.645215125966005,7.766321471928171,2.52829349698077,0.1754945174291463,0.000415276999646,9.23201341461021,2.990832591003918,5.448046621524048,0.5320481646066535,3.4351868862108,7.390789991265277,0.5304511545022524,3.114114652832516,0.8001777949066798,23.72135457130013,1.129494583185504,2.476093591994907,0.2236268223116133,-3.114114652832516,-0.8001777949066798,12.982502944627765,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,13.20502422504145,14.188834474807823,15.071668920364846,15.8647708442869,16.577750370477673,17.219034330237196,17.796147506069005,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_49,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0222139044749115,0.254874214829454,1.0938210212177055,2.694846947372182,4.35906740506254,5.475062945696325,6.060926362579797,6.3342295680885625,6.436634436623638,2.099971040341877,0.1684363610867241,0.000419932337571,7.05427556434337,2.0446874592634594,4.326897177124551,0.3320890631863954,2.016627190380708,4.338759749322494,0.3124163445533746,1.2011934386398948,0.516611554188507,15.041341367154793,1.2981373177871016,2.830903865532258,0.2397345990968056,-1.2011934386398948,-0.516611554188507,12.497480276174878,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,13.403272768707971,14.365240524929588,15.231672497105974,16.011922289714228,16.71436615301535,17.34665594448649,17.915840816695315,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_50,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0235773215488317,0.2828509655661728,1.3170678475909725,3.464204580691409,5.76092095442831,7.314975360425064,8.13357830412931,8.515986994222649,8.659353375254543,2.654506227362559,0.185006847802587,0.0004080241818224,10.735555527096968,3.503476436723921,6.273421788203519,0.5594336001987327,4.367014194481645,9.385561684076976,0.6627920430773476,5.082272563712092,0.9729406597912122,28.498733517263627,0.2200637809066884,0.5316505070041229,0.0968997435267725,-5.082272563712092,-0.9729406597912122,8.692503032993498,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,13.558257776732736,14.490681604059755,15.333371463950066,16.094786855701344,16.782360939165397,17.402907109923717,17.962784032467386,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_51,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0212157454919851,0.2545016229643833,1.1628324328271955,2.917785064063498,4.699830176966827,5.8758643499942,6.488592388125333,6.77348221443684,6.8800836898029205,2.270268825539212,0.1662433273172827,0.0003775739906394,8.019856545630857,2.503586703878016,4.838786522804537,0.4091092071356172,3.669143044998441,7.883227199536939,0.5538479621154099,4.706913052066593,0.8081794571021065,23.49156006664433,-0.2761293551433131,-0.5427434141612753,0.0129059707908765,-4.706913052066593,-0.8081794571021065,4.558590370285665,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,13.27956779878461,14.3123222605748,15.231984123003128,16.051481464874996,16.782265554764354,17.434507534463002,18.01726306645937,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_52,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.023862189459373,0.2782964847100435,1.1511061631405306,2.7557481630329,4.370621481098579,5.438134331530115,5.995791509984242,6.255487754570924,6.352733352873668,2.167297065421759,0.1853809297725678,0.0003760454024383,7.1824270427931625,2.2675315047194315,4.340091898596189,0.4022894625847206,2.882919248110444,6.209939602900036,0.4520341104425368,2.945757611439153,0.6694950547096938,19.981329939889,0.6705152721011409,1.481553184919015,0.145462352237603,-2.945757611439153,-0.6694950547096938,9.25131840271632,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,13.375858479724489,14.299636049629532,15.138321208517098,15.899522860904789,16.58975433195221,17.215010796705762,17.78098444736627,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_53,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.022707070420805,0.2742642394016838,1.3217576519061491,3.5303618911475376,5.862035202940043,7.418720034066557,8.232530359716783,8.611341031921988,8.753143295585321,2.699443212562243,0.1785863795216818,0.0004023417233852,11.084179353234813,3.623366259142799,6.444460093664645,0.5487518365294838,4.175413913713149,8.986151523046942,0.6461480342995769,4.683963205719097,0.9263247297763078,27.70120948339362,0.4852210686775192,1.0912835669249286,0.1269175170153538,-4.683963205719097,-0.9263247297763078,9.528141378445811,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,13.260139620434286,14.245170905490856,15.129686084905508,15.92425336620553,16.63815980036647,17.27973591253713,17.856535491701766,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_54,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0223161091199502,0.2686543149402196,1.1190824581449113,2.774142762864576,4.524620803135137,5.707251533088918,6.330131648800975,6.621120654821556,6.730216925837521,2.1543859776230896,0.1786114699142333,0.000323495016679,7.564542240975788,2.2450198698657906,4.621179567052836,0.3701552794383996,3.789009453372111,8.135338177943963,0.5667318217516624,4.89821844604629,0.8705522338355672,24.683501608318064,-0.3643638720329898,-0.7142994456552917,0.0174087966814983,-4.89821844604629,-0.8705522338355672,5.457195730862319,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,13.512918823535498,14.454023760190951,15.30882459334665,16.08316667635786,16.782958790657908,17.414257708579434,17.983147984677203,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_55,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0238618612692163,0.2782969925152325,1.1511190158135076,2.7557717566098487,4.370640379598134,5.438144282591878,5.995795332962855,6.255488421280719,6.35273279076644,2.167318875805914,0.1853806501155633,0.0003760326192369,7.182422395223056,2.2675961319744182,4.340058267273183,0.4023092845319762,2.882468433666504,6.208975596003094,0.4519704750875942,2.945293972624617,0.6693998284782622,19.978626171663187,0.6704698280761356,1.4814503230973712,0.145449826552106,-2.945293972624617,-0.6693998284782622,9.250403472921104,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,13.391157424499452,14.313104393168022,15.150191100819582,15.91000941425202,16.599048939598767,17.223279794908127,17.788370421484355,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_56,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0227056341397038,0.2742579661736367,1.3217595775647908,3.5303414273386275,5.861958105669522,7.418591537370231,8.232371258368502,8.611166869445862,8.752963366052121,2.699435685501605,0.1785799009910241,0.0004023407457648,11.083834513517624,3.623328209291208,6.444276247506801,0.5487585877160649,4.175108081555283,8.98550194906202,0.6461099235108458,4.683091754846887,0.9262649356104796,27.69987337370172,0.4857876332398799,1.0924927079677902,0.1269946821490715,-4.683091754846887,-0.9262649356104796,9.530839926039611,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,13.263888663101053,14.24883814985385,15.133238619473676,15.9276699677496,16.64142776606282,17.28284885079575,17.859491667550383,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0306_57,RSM0306.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0223149073501672,0.268665962575396,1.1191552382673022,2.7742888660234377,4.524825856849229,5.707497807148332,6.330401040533927,6.6214012349988485,6.730501767166333,2.154508864960165,0.178616987152653,0.0003233780553227,7.565206550100299,2.245325425579236,4.621552488910361,0.3702322969835578,3.788751353491353,8.134777759022429,0.5666869672819361,4.897983821951211,0.8705035046657648,24.681738174853177,-0.3644880836957219,-0.7145637449487193,0.0173921666329571,-4.897983821951211,-0.8705035046657648,5.456420152138911,7.0,14.974362,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0306,13.530205668100928,14.469552015713386,15.32281838944785,16.09581990104006,16.794437687879682,17.424704591404115,17.99268486662183,[Al].[O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O]pcu.cat0,"linker [O]P(=O)(c1ccc(cc1)P(=O)([O])[O])[O], nodes [Al], topology pcu"
RSM0516_0,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0133791030618084,0.3794741947555389,1.8119341698728693,4.07499902111672,6.167443109041806,7.50583828823097,8.195912318822879,8.515545963580106,8.634977594948724,3.277766139611358,0.2259293144319196,3.310396631192029e-05,12.143807540649178,5.650541146997104,6.470133226161304,0.9904344842528432,5.126030633566399,11.252050485983622,1.0180043762237714,3.1620393860139417,1.807674573482524,55.63015316783199,-5.126030633566399,-11.252050485983622,-1.0180043762237714,2.7299343566434304,1.807674573482524,-55.63015316783199,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-12.0,-25.9735986,-2.0,-12.0,0.5900000000000001,-90.0,RSM0516,15.445309254690551,16.532603050921086,17.44771180694319,18.220022388405425,18.874563421559905,19.43206257343304,19.90944788927192,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_1,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0133803788085065,0.3794948613859492,1.8120237562161587,4.075199157129089,6.167729353097507,7.506173057189909,8.196270780531277,8.515915168568261,8.635350781763174,3.27792916788545,0.2259427914123351,3.310917269841967e-05,12.145082049626936,5.651208493890129,6.470643866224368,0.9905171087180468,5.126026960385929,11.252042619363891,1.0180038514837042,3.162034663353338,1.8076752241602063,55.63013480192965,-5.126026960385929,-11.252042619363891,-1.0180038514837042,2.7299422277444383,1.8076752241602063,-55.63013480192965,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-12.0,-25.9735986,-2.0,-12.0,0.5900000000000001,-90.0,RSM0516,15.445899329896216,16.53315940977687,17.44824592973549,18.220543791589986,18.87507927585791,19.43257797330728,19.90996629062353,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_2,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.013366217001533,0.3793438980297932,1.8118533531488128,4.075228792224859,6.167916066798355,7.506444849568842,8.196584638860807,8.516248430745927,8.635691303722528,3.277888011397368,0.2258291811167722,3.3035066388479e-05,12.14587601844595,5.650864865752807,6.471323232066307,0.9903636765571624,5.1258405277859085,11.25164334838305,1.01797721825513,3.1617949642961687,1.8077082493636385,55.62920263892955,-5.1258405277859085,-11.25164334838305,-1.01797721825513,2.730341726173052,1.8077082493636385,-55.62920263892955,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-12.0,-25.9735986,-2.0,-12.0,0.5900000000000001,-90.0,RSM0516,15.435535484865138,16.522536713559738,17.437219684604276,18.20904200860699,18.863076259975944,19.42007624106788,19.896984669533733,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_3,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0133618037849201,0.3792804278668627,1.8116518516032327,4.07485232617893,6.167404580944812,7.5058559835688,8.195957756649769,8.515604285148855,8.635040757811177,3.277569204850842,0.2257859651238995,3.301552594304651e-05,12.143735515093274,5.649585288271269,6.470583019971073,0.9901675352701051,5.125655686294837,11.25124748498023,1.0179508123278338,3.161557310950506,1.807740992713486,55.62827843147418,-5.125655686294837,-11.25124748498023,-1.0179508123278338,2.7307378150824904,1.807740992713486,-55.62827843147418,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-12.0,-25.9735986,-2.0,-12.0,0.5900000000000001,-90.0,RSM0516,15.434713511206118,16.521609575145103,17.436170930827572,18.20787012381344,18.861787114544715,19.4186789494286,19.895489381092275,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_4,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410045665852715,0.5028539905655316,1.4479394146950664,3.0906448644310225,4.712256324567735,5.777567340615047,6.332468044381814,6.590522464402333,6.68709529221952,2.494413870738878,0.3931570627390142,0.0201686267890432,9.593027481428702,2.568074622721531,6.218227242213184,0.3310217423605869,4.227554169237846,9.1886980966489,0.7346926210506224,10.105095137642826,0.5037129408409243,30.29071262735434,4.227554169237846,9.1886980966489,0.7346926210506224,10.105095137642826,0.5037129408409243,30.29071262735434,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0516,3.305114391722957,3.9642820409195294,4.646986163147904,5.335578723704757,6.016228811017222,6.678959357097135,7.317200640261303,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_5,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410661915070473,0.5029883551435573,1.4482321331945855,3.090943626547582,4.71242154208297,5.777622950499596,6.332464823823224,6.590491852524845,6.687054445444717,2.494736823253426,0.3932681208067327,0.0201859012732657,9.593899000473488,2.5687234985298866,6.218782664525159,0.3312500068995506,4.226792256473164,9.187092361294315,0.7346089995218872,10.103664252648262,0.5035306800270193,30.28866868416628,4.226792256473164,9.187092361294315,0.7346089995218872,10.103664252648262,0.5035306800270193,30.28866868416628,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0516,3.306869266183261,3.9662148406256086,4.649029878613864,5.337677753312911,6.018339371159181,6.681048385515688,7.3192441100319074,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_6,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410212403591199,0.5027420100440702,1.447325892855158,3.08974913694629,4.711404007860427,5.776819452446806,6.331788880719772,6.589877856665505,6.686463995069194,2.493563858373036,0.3931082524938187,0.02017394882364,9.589953332497185,2.566228697995208,6.216597814662985,0.3304667619888447,4.226824499361467,9.187141684075884,0.7345944692819075,10.103580253616723,0.5035722723122762,30.287490352926188,4.226824499361467,9.187141684075884,0.7345944692819075,10.103580253616723,0.5035722723122762,30.287490352926188,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0516,3.301619667165992,3.960866059427948,4.643553106931654,5.33206290731337,6.0125885171851445,6.675170702379682,7.313252378488893,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_7,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410108530422099,0.5027502122352717,1.4475488545082211,3.0902495385238846,4.712015196082534,5.777444503049396,6.332407452218169,6.5904906877335385,6.687074263788263,2.4939863583931885,0.3931030154381982,0.0201709975314509,9.59180919432976,2.5674238613782685,6.217460131707805,0.3307735312734837,4.227452604716703,9.188456933563144,0.7346551743885956,10.10469399982547,0.503737957120316,30.28859918361817,4.227452604716703,9.188456933563144,0.7346551743885956,10.10469399982547,0.503737957120316,30.28859918361817,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0516,3.298306451972477,3.9574895797174654,4.64016978484445,5.32871685410257,6.009311452677635,6.671983630258692,7.310167800010154,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_8,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410386187705367,0.5027428292512159,1.4472097186752269,3.0896407689611585,4.711406074775437,5.776897903735389,6.33190404980827,6.590009133187433,6.686601129512973,2.4934306313704155,0.3931207506503316,0.0201790139575311,9.59005757831802,2.5657818177208487,6.216739257398857,0.330307007536517,4.228421859039893,9.19056407926588,0.7348240508721233,10.10701426601688,0.5038526318875213,30.29557426584916,4.228421859039893,9.19056407926588,0.7348240508721233,10.10701426601688,0.5038526318875213,30.29557426584916,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0516,3.298824908777771,3.958001894803993,4.640663432451149,5.329184599111647,6.009750036732718,6.672392533970886,7.310548240568956,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_9,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410226240000586,0.5027401540691939,1.447257048035581,3.089649395827868,4.71134780159223,5.776806144591083,6.3317998222835,6.589900337254352,6.686490826612412,2.493462168994744,0.3931097054803563,0.0201743159826288,9.589945803184644,2.5657544307625946,6.216800369911687,0.3303478265875592,4.227601681594504,9.188840591432998,0.7347389237204269,10.10551307135792,0.5036472663337538,30.29371625245736,4.227601681594504,9.188840591432998,0.7347389237204269,10.10551307135792,0.5036472663337538,30.29371625245736,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0516,3.3018905644842618,3.9611247070200655,4.6438076236009085,5.332319253058141,6.012850792831967,6.675441529840101,7.313533265260823,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_10,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410441055347401,0.5029034135554699,1.4477615083793285,3.090136906989424,4.711567665491523,5.77680070033616,6.331668682075279,6.589709322723099,6.686277203914353,2.494003246457779,0.3932137104046353,0.0201797191706943,9.591458568077297,2.5666941256891747,6.21769147692949,0.3306730058039851,4.228447872993268,9.19059129419476,0.7348001267598135,10.106848887071775,0.5039090658073537,30.29376950822061,4.228447872993268,9.19059129419476,0.7348001267598135,10.106848887071775,0.5039090658073537,30.29376950822061,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0516,3.307033290104272,3.9663225989488127,4.649086704807886,5.337690253401101,6.018314748610235,6.680993855279933,7.319166481784504,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_11,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410276855983903,0.5029148589331143,1.4480447833210086,3.0907295736864184,4.71226380018385,5.777502198037603,6.332359835782766,6.590393192378648,6.6869579817348646,2.4945140751085573,0.393206105516043,0.0201749861787773,9.593521000169918,2.568099276870396,6.218660634963137,0.3310551622895868,4.228758525266541,9.191231042546582,0.7348197182192744,10.107316271020736,0.5040105720824712,30.29358764901649,4.228758525266541,9.191231042546582,0.7348197182192744,10.107316271020736,0.5040105720824712,30.29358764901649,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0516,3.304793339595137,3.963972776496166,4.646690995775446,5.335298787688548,6.015964093822538,6.67870896884019,7.316963125492177,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_12,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2108302124816106,0.5196547477016108,1.2353659712446874,3.0027784007480816,5.081069013074435,6.527199124509045,7.294701018416209,7.654028099687199,7.78883664782165,2.304698276624804,0.4424080953933446,0.0454790792156032,9.820123169573083,2.5778613013972684,5.999138590416737,0.2175253359766612,3.4549482017008635,7.456128563367879,0.5489358575426947,7.686801920291431,0.4982201455048951,21.25053973307867,3.4549482017008635,7.456128563367879,0.5489358575426947,7.686801920291431,0.4864472013007597,21.25053973307867,12.0,25.9735986,2.0,15.0,1.2399999999999998,90.0,0.0,0.0,0.0,0.0,-0.5900000000000001,0.0,RSM0516,7.398310195635704,7.9119151105790495,8.408308896088583,8.88163024022979,9.327665869744486,9.744019115012277,10.12984997443924,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_13,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2108824365107216,0.5197088397954526,1.23538631978438,3.002743066613528,5.080995560702336,6.527109200243917,7.294604825525728,7.653929482962879,7.788737200750401,2.304681352550096,0.4424650636883205,0.0455014472748641,9.819611997915024,2.5777387888669225,5.998919116508674,0.2175555804936909,3.4551634622835605,7.456584536878691,0.548961627284859,7.687300699875682,0.4982724532641518,21.251218961451546,3.4551634622835605,7.456584536878691,0.548961627284859,7.687300699875682,0.486505214438504,21.251218961451546,12.0,25.9735986,2.0,15.0,1.2399999999999998,90.0,0.0,0.0,0.0,0.0,-0.5900000000000001,0.0,RSM0516,7.426396804342084,7.939914041430188,8.436247195855778,8.909527359592845,9.355535719304983,9.771871593526535,10.157692090241913,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_14,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2108030018636265,0.5196247162721299,1.2353868823721434,3.002938510116984,5.081337704916399,6.52751743304254,7.295038848782545,7.654373631934973,7.789184845537227,2.3048090966779764,0.4423770873093458,0.0454674393861197,9.821530929581805,2.5783175347089395,5.999767992066505,0.2174902511348794,3.454742568363419,7.455730656520741,0.5489474530226666,7.68687754902521,0.4981186782842502,21.25226177196928,3.454742568363419,7.455730656520741,0.5489474530226666,7.68687754902521,0.4863596358246841,21.25226177196928,12.0,25.9735986,2.0,15.0,1.2399999999999998,90.0,0.0,0.0,0.0,0.0,-0.5900000000000001,0.0,RSM0516,7.211170448424944,7.726730605915351,8.224660375620552,8.699194046377727,9.146191033540028,9.5633103216603,9.949754682868187,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_15,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2108012134454115,0.5196108906134022,1.235198824716222,3.002357544739639,5.080463258910783,6.526506009730921,7.293971227005168,7.653283079499375,7.788086210262771,2.304363242727347,0.442370213790911,0.0454666990836718,9.817807136910265,2.5769929984680275,5.998097647879964,0.2174973494351068,3.45527219740839,7.456796790150666,0.5489573369348684,7.687236048521393,0.4983201933209839,21.250461876127545,3.45527219740839,7.456796790150666,0.5489573369348684,7.687236048521393,0.4865426985489958,21.250461876127545,12.0,25.9735986,2.0,15.0,1.2399999999999998,90.0,0.0,0.0,0.0,0.0,-0.5900000000000001,0.0,RSM0516,7.105883485045822,7.6174918979391055,8.11231684347026,8.584399297883634,9.029451666187263,9.445020438324908,9.83022199938152,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_16,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410789001604153,0.4810441976506422,1.3022964365799297,2.722702613649981,4.130047787386764,5.058151258368115,5.542784496114608,5.768446210026777,5.852943221240588,2.206664275180274,0.3820476408239393,0.0202714155180012,7.731010625652388,1.783783739429732,5.242692107537755,0.270127006537704,4.776397857881428,10.330260666770112,0.7802558645447549,11.01844477423947,0.66251730073582,30.735921228725697,4.776397857881428,10.330260666770112,0.7802558645447549,11.01844477423947,0.66251730073582,30.735921228725697,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0516,3.5005181384198045,4.181114222080017,4.88084636606776,5.581992368226415,6.270985793230572,6.93830748883945,7.577927996399813,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_17,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410186002940174,0.4810157231559421,1.3026544455078493,2.72359450336835,4.131299702499518,5.059579627476816,5.544289701374621,5.769983977909426,5.854492680614754,2.207386988675603,0.3819902623175979,0.0202540787189006,7.734176321094113,1.785345943403801,5.244276039145077,0.2704633388946871,4.775268449813398,10.32791281790754,0.7801633204548823,11.016575013452456,0.6621882343140576,30.735090182774773,4.775268449813398,10.32791281790754,0.7801633204548823,11.016575013452456,0.6621882343140576,30.735090182774773,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0516,3.508482324419385,4.188939159583624,4.888527631628507,5.589537080267611,6.278408012162857,6.945624569434076,7.585158079891553,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_18,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410187149683361,0.4810195054151028,1.302667906301424,2.7236341254531617,4.131373542710709,5.059676663934138,5.5443985615797695,5.7700982377369385,5.854608942754797,2.2074155623144187,0.3819926659445457,0.0202540743024107,7.734496419235629,1.7853985364798255,5.244486292348377,0.2704640083288083,4.775126558955551,10.32761961719936,0.7801534071894093,11.016353816470826,0.6621436802550777,30.73510570848089,4.775126558955551,10.32761961719936,0.7801534071894093,11.016353816470826,0.6621436802550777,30.73510570848089,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0516,3.50894800103356,4.189398701328591,4.888977157004006,5.589975208689717,6.278835038219996,6.946041769037294,7.585567203582835,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_19,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411090172565238,0.4810885424472032,1.3023776624085344,2.7228117890113426,4.130159955122034,5.05826218599581,5.542894696067985,5.768556113144413,5.853053023234578,2.2067680449503126,0.3820889070339494,0.0202800959755773,7.7313882486401715,1.7839916758868604,5.242898054791205,0.2701664153339583,4.776100825022982,10.329641022474032,0.7802294275413872,11.01793624535408,0.6624346904951254,30.7355558027822,4.776100825022982,10.329641022474032,0.7802294275413872,11.01793624535408,0.6624346904951254,30.7355558027822,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0516,3.4999780112338885,4.180552290258394,4.880265497920672,5.581395433743001,6.27037548834901,6.937686237482575,7.577297910886994,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_20,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583717290168048,0.7848271750894744,1.9319185164846784,3.658061358579925,5.348275047228559,6.454469825127829,7.028454558812456,7.294785353307762,7.394352992472948,3.035708770341785,0.606634923083989,0.0099762145221718,9.994420414432032,4.495509804455132,6.008400625170999,1.304807103043422,1.838510129433568,3.813648259281836,0.1425937504447101,2.9792601329912487,0.5507737255141063,12.04442565606204,0.4125726249864668,0.6757986319957596,-0.1425937504447101,-0.728177378571214,0.4509581002028093,-12.04442565606204,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,6.329723541035693,7.1214986622374905,7.904890507566063,8.674880301935948,9.427535698885835,10.159521927884304,10.867973594516515,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_21,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025213652930784,0.7347140481567629,2.1805587972942506,3.985660623303696,5.4579597231503145,6.354114601196353,6.807961929572695,7.016754222277435,7.094567184729898,3.385694442315766,0.5289366213953782,0.0037489155855139,10.951901419238164,5.309234760139159,6.729887112222004,1.733413068618617,0.8613946189597111,1.8114808634937016,0.0907445176782006,1.587350760385316,0.2131746347904453,6.121863448362569,-0.0460505578222948,-0.1853994351642956,-0.0907445176782006,-0.7720066992478999,0.1496534724157049,-6.121863448362569,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,7.578833827967868,8.365789629276826,9.13801381353464,9.893279300456404,10.62869571535621,11.341177941846668,12.02786582698081,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_22,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166758078225291,0.8979012160009424,2.161640539275968,3.948010115769186,5.552611948027272,6.555113029263481,7.064797670493262,7.299260838644179,7.386610108370258,3.325197846289587,0.7060687884169087,0.0232630090774447,11.57166336956664,5.327936912454547,7.0060465060554495,1.68605984291129,2.1222372686081936,4.659541543720678,0.414212904891249,5.435940507738186,0.1677463878595539,18.89544444086595,-2.019891780304297,-4.455428819121802,-0.414212904891249,-5.3335950194342905,-0.1222026455643201,-18.89544444086595,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,9.182726654233951,9.958339498708373,10.71192968049948,11.439475578444124,12.137530811172654,12.803550505851703,13.43594310198286,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_23,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1584055617122693,0.7849190363254751,1.9320617029135103,3.658189396054697,5.348353017935095,6.45451382319281,7.028481968224942,7.294805396538575,7.394370340434822,3.035850031584465,0.6067141485144478,0.0099799816227683,9.994738572775248,4.495762721904174,6.008760556382655,1.305019018901507,1.8381712393643976,3.812932212396256,0.1425547775190051,2.9786094595164387,0.5506959936690222,12.041951747202091,0.4126234641743459,0.6759402046062369,-0.1425547775190051,-0.7278147559776954,0.4509076494057187,-12.041951747202091,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,6.330728751445188,7.1226504565811135,7.906166056353564,8.676250985684733,9.428973827050262,10.161003591589887,10.869479463174589,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_24,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025413117964748,0.7347990821144094,2.180722742938852,3.985845437670961,5.458129868396952,6.354271707847792,6.8081125034797605,7.016901913084833,7.094713827213492,3.3858790552884823,0.5290038834810988,0.003750195581778,10.952594523205562,5.309851604592922,6.730259667771231,1.733684289996967,0.8622062499081337,1.8132208500728293,0.0908621793857899,1.5891036849944526,0.2133151948607634,6.128274837256467,-0.0464155439497652,-0.1862486556447575,-0.0908621793857899,-0.7733129790360846,0.1497116692907106,-6.128274837256467,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,7.579159086144217,8.366133979761653,9.138356482537406,9.893608710789533,10.629007179269442,11.341471448776565,12.02814423398334,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_25,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167571468626242,0.8980448517864524,2.161816272792005,3.9482264012906976,5.552829139522946,6.555303733712814,7.064966311653349,7.29941737682378,7.386761824142813,3.3254024520619367,0.706203518699663,0.0232819513849861,11.572578411752568,5.328564539680749,7.00655098443977,1.686339694906662,2.1222405031813008,4.659622891836418,0.4142855494289973,5.436524898613279,0.1676116187363087,18.89691350448645,-2.0206149911086726,-4.456946051834373,-0.4142855494289973,-5.334899386540652,-0.1223882658639891,-18.89691350448645,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,9.181681031714438,9.957307355714391,10.710895957665937,11.438435289932816,12.136485022672767,12.802503612394176,13.434901028423573,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_26,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1584342224632049,0.7849506673779325,1.9320272530035871,3.65822270381701,5.34854636099163,6.454820132199564,7.028845696800103,7.295195240870709,7.394769849057458,3.035839896949974,0.6067529867894478,0.0099845344291616,9.994728562162406,4.496317321068316,6.00837232369234,1.3049537601421135,1.8402825376539824,3.817559614990212,0.1429589781088376,2.9839543625246834,0.5508776453019516,12.060592250446666,0.4106927565656061,0.6716729630366238,-0.1429589781088376,-0.7329790683050948,0.4508063606257654,-12.060592250446666,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,6.364058935644309,7.155043110581095,7.937580262477006,8.706701709126879,9.45851102517013,10.18969628526504,10.897404700347618,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_27,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025141776975492,0.7346848631587131,2.1805033449453304,3.98565630015768,5.458086048746967,6.354354780671786,6.8082678043456974,7.01709189937099,7.094916951485391,3.385659965314167,0.5289139025824101,0.0037482632967369,10.951719501714614,5.309217194742396,6.729824952277551,1.7333137897915938,0.8630514995255235,1.815048837016639,0.0910001638567147,1.5910528103792412,0.2134326100575178,6.135260774761911,-0.0469501390416238,-0.1874570887355738,-0.0910001638567147,-0.7749514498953415,0.1497324953578175,-6.135260774761911,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,7.596966822736059,8.383911807784722,9.156093909239646,9.911295128036224,10.646634895941332,11.35903625237622,12.045644971119216,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_28,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166772103664133,0.8978379812499928,2.1612852355608667,3.947367720245964,5.551909079073291,6.554436872024022,7.064148715538924,7.298626945630007,7.385982201656783,3.3246255311005948,0.706033005773907,0.0232669675946663,11.568447916380832,5.326410826442526,7.004304464399962,1.6855253779951616,2.1227169869976086,4.660553627851788,0.4142665976402812,5.436849768119859,0.1678591886384084,18.898916887793664,-2.0199489894052034,-4.455598271853374,-0.4142665976402812,-5.334081770527453,-0.122127429709788,-18.898916887793664,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,9.097305890720596,9.872893213489832,10.62635708300961,11.35372576939599,12.05158434282352,12.71740646462164,13.349610681037673,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_29,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1584223853297714,0.7849451193457407,1.9320763290978384,3.6582756049442313,5.348556492618979,6.454794489997812,7.028800582390904,7.295140987042531,7.394712167536652,3.0359002727500006,0.6067411945907148,0.0099824803118637,9.995204972629386,4.496303032923555,6.008786131091455,1.3050392196230858,1.839862596910376,3.8166777914536487,0.1429159962613757,2.983190567001382,0.5507713626350377,12.057632909779397,0.4107026342966182,0.6717369774040193,-0.1429159962613757,-0.7326253357943879,0.4507301652520747,-12.057632909779397,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,6.361356480576563,7.151988631815692,7.934301426466362,8.703292725352627,9.455039436417335,10.186209102296832,10.893933567481328,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_30,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025433217132688,0.734783121345184,2.180652899021657,3.985835075301301,5.458278103257526,6.354547659877579,6.808458652632241,7.0172812453508895,7.095105645839297,3.385830326820095,0.5289967652441852,0.0037504397795044,10.952527132015655,5.309809757089349,6.730088821076845,1.7335639469808029,0.8631201793238645,1.8151924560321728,0.0910066113787678,1.5911730703540077,0.21345108346393,6.13573312419468,-0.0469459344638139,-0.1874553507955309,-0.0910066113787678,-0.7749988254939569,0.1497464554987925,-6.13573312419468,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,7.593016161140249,8.379902766631625,9.152021348985704,9.907158684808962,10.64243730712288,11.354782112019755,12.041339830814696,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_31,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216664202358967,0.8978275809211664,2.1613667465391133,3.947631910072947,5.552317898874228,6.554919162567276,7.064663322423807,7.299155317093312,7.386515527521755,3.324826346332993,0.7060175531526425,0.0232638025953851,11.57001076918125,5.32698250265024,7.005187560466662,1.6856412038609347,2.1226758137266057,4.660524512968331,0.4143180026019872,5.437219834542503,0.1677444822296132,18.899739120672773,-2.020504212293268,-4.456758579649752,-0.4143180026019872,-5.335048233109165,-0.1222781195917775,-18.899739120672773,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,9.088292005509851,9.863969591994492,10.617487800616392,11.344890596665737,12.042773356046489,12.708616065318326,13.340840858906644,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_32,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1584324844241645,0.7849397185340472,1.9319930403913472,3.6580351616920463,5.34816194516133,6.454307424601777,7.028268719535462,7.294589112138059,7.3941529382205555,3.0357182598860235,0.6067432768027249,0.0099848527568664,9.99324457806813,4.495847205612686,6.007496282217496,1.3049126924039585,1.8400799132231604,3.8171476180411408,0.1429513225909848,2.98369049395104,0.5508018315262098,12.0594260179355,0.4105666873133118,0.6714294297387721,-0.1429513225909848,-0.7330438934145669,0.4507359057125205,-12.0594260179355,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,6.356977077573062,7.147593528718356,7.929901252804538,8.698888776857315,9.450629494719092,10.181790344321596,10.889503802929662,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_33,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025230760550196,0.7347086931503907,2.180524833703968,3.9856179987109823,5.457975538717747,6.354199650800849,6.808090879656046,7.016905189784411,7.09472663699078,3.385647059301788,0.5289346508741637,0.0037491776842244,10.951278937259232,5.309152379404246,6.729609455025718,1.7333705902441132,0.8632241313620812,1.8153950063546167,0.0910019883150024,1.591240037882101,0.2135060103654965,6.136160423110455,-0.0467957517879432,-0.1871510675509353,-0.0910019883150024,-0.7748116583079628,0.1498046185449949,-6.136160423110455,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,7.575761423307792,8.362771211763956,9.134999180629409,9.890232638118013,10.625595066042983,11.338012523977088,12.024632983813431,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_34,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166770031970334,0.8978130013130862,2.1612391860467257,3.947267491526216,5.551806525093661,6.554375461522644,7.064122013501955,7.298619349254389,7.385982226691243,3.3245427275381405,0.7060128592574241,0.0232706056763452,11.5679123745228,5.326185652182798,7.004038430857275,1.6854750338120557,2.122513978387642,4.660145505306204,0.4142634431371272,5.436621523484661,0.1677747645003872,18.89783875468076,-2.0201204529836296,-4.455936977916711,-0.4142634431371272,-5.334227998080647,-0.1222096456956014,-18.89783875468076,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,9.073446298164535,9.849326645379906,10.603028717748714,11.330594805791383,12.028619719984054,12.69458394298766,13.326910891011655,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_35,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1584166907372785,0.7849491721953568,1.932127041514285,3.658269828327316,5.348424025344397,6.454572324924026,7.02853273924707,7.294852361997258,7.394415852316467,3.0359291662311505,0.6067391674753767,0.0099813317449043,9.994158675507448,4.496366756773678,6.008017618604916,1.3050950114593145,1.8404287752554969,3.817884868732991,0.1429915721498252,2.984361352454098,0.5508816072077738,12.061975319273987,0.4105130537572445,0.6712809679585694,-0.1429915721498252,-0.733419523441357,0.4507875067028962,-12.061975319273987,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,6.360063487264266,7.150830202525095,7.933186577596553,8.702161073485748,9.453853292197628,10.184946967218282,10.892585084048202,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_36,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.102554125546343,0.734821179786264,2.1807066788855445,3.9858120727300608,5.458165950769912,6.354393936122408,6.808290133000968,7.017107489349563,7.094930198458703,3.3858417706990203,0.5290280109611175,0.0037512122722025,10.951840822066991,5.309854885174061,6.729784728140673,1.733670186233889,0.8639723468636503,1.816993844251355,0.0911054153537154,1.5928156696933735,0.2136450405661078,6.14197004139256,-0.0470818066735044,-0.1878281954231377,-0.0911054153537154,-0.7759251295032279,0.1498712498185071,-6.14197004139256,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,7.581214881868638,8.36807134239778,9.140172886809216,9.895302629888771,10.630580704908562,11.342930365490242,12.029497145611137,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_37,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166870506130921,0.8978688523714599,2.1613280557854315,3.947361377214487,5.551870501160233,6.5544006429378765,7.064121287698548,7.298605309633199,7.385963003394132,3.324638808790604,0.7060584723683236,0.0232680285657002,11.568343803445115,5.326409779172004,7.004339922274933,1.6855949047211944,2.122795980496974,4.660783245980075,0.4143365071880341,5.437488038001247,0.1677632603435891,18.90071004624556,-2.020569091383368,-4.456907049676355,-0.4143365071880341,-5.33526114888764,-0.1222722946880344,-18.90071004624556,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,9.08466699512364,9.860106042785077,10.613435787161633,11.34068765406699,12.03844794897199,12.704190101972506,13.33633146618438,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_38,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1584087090361806,0.7849074318787885,1.9319674178121644,3.6578928623994735,5.347864406169896,6.453916371912763,7.027833757498682,7.294134943897117,7.39369178332506,3.035629069815577,0.6067087035978099,0.0099810587378862,9.992544605346822,4.495127504916522,6.0073690490856615,1.304891081581106,1.838560835247507,3.8137711468483193,0.1426148583160718,2.9794797017760817,0.5507567123425059,12.045101342558972,0.4124122520867889,0.6754570298768339,-0.1426148583160718,-0.7285066144417857,0.4509263115212558,-12.045101342558972,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,6.335969271721935,7.127615172192544,7.910853425956679,8.680677071896922,9.433163775364523,10.164986004349563,10.87328298309309,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_39,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025118398068167,0.7347076006664455,2.1805965360517425,3.9856630887024207,5.4578897063520735,6.354001518564205,6.807829680344163,7.016613912736098,7.09442400149256,3.385719149915772,0.528924383584367,0.0037480424095213,10.951634500979967,5.309241736630358,6.729875690091151,1.7334961202432908,0.8623763585508234,1.8136213413181448,0.0909215726736997,1.5897489399404214,0.2132795307919292,6.130313246228112,-0.0468393681861745,-0.1871551445844085,-0.0909215726736997,-0.7742119495757726,0.1496344299203394,-6.130313246228112,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,7.594059788403223,8.380942728868249,9.153100562467785,9.90830755350619,10.643673657929495,11.356113477177152,12.042766235261288,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_40,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167354136796535,0.8980057232686687,2.1616832884127204,3.947839033252751,5.5522645488927,6.554689826500901,7.064347611417234,7.298801104296031,7.386147199844972,3.325105756246785,0.7061694999502475,0.0232757656021934,11.57038828921576,5.3277146269794695,7.005394310698944,1.6861570090870144,2.122673795967264,4.66052470172389,0.4143220887640057,5.43725050607931,0.1677359227729215,18.89981075511643,-2.020547091672793,-4.456848309014213,-0.4143220887640057,-5.335123801784839,-0.1222895393618821,-18.89981075511643,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,9.196468642161271,9.972199643991274,10.725889401992676,11.45351844390903,12.151642588534902,12.817719110698397,13.450158436037135,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_41,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583802430145998,0.7848650305236906,1.932010854218571,3.658010397335642,5.347996116003823,6.454045099885901,7.027959173274793,7.294258573215159,7.393814713651173,3.035730054203986,0.6066617360380592,0.0099771277978413,9.993413213063118,4.495205539662173,6.00802925062859,1.3049843904691067,1.83805718594606,3.812698916475737,0.142549119488862,2.9784501418569564,0.5506558487043806,12.04126831950754,0.4125659910574398,0.6758314165811933,-0.142549119488862,-0.7278269648534567,0.4508714650621772,-12.04126831950754,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,6.333272889710245,7.125509609957761,7.909307962473827,8.67964914083097,9.43260420966068,10.164843728140744,10.873508357787198,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_42,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.10255397300176,0.734830064115062,2.180753126907107,3.9858394974966016,5.458090580999549,6.354218878697681,6.808055397516175,7.016843438962332,7.094654939409613,3.385887680144297,0.5290318468548698,0.0037514244104391,10.952513349575414,5.309831577300806,6.730256924999585,1.7337496982658238,0.8623171680278255,1.813474055913001,0.0908932133119052,1.589462874523067,0.2133063648125601,6.129450106377231,-0.0466149650912264,-0.1866783674863949,-0.0908932133119052,-0.773760671586468,0.1496811154942265,-6.129450106377231,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,7.595871852116009,8.382876285088246,9.155116369476325,9.910376829428929,10.645776786733844,11.358238016723812,12.044904958681718,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_43,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167320476884139,0.8980332751387866,2.161813725275992,3.9481639451124217,5.552749379117071,6.555252856867356,7.064942939441537,7.299409558717851,7.386760264766622,3.3253615262735456,0.7061862618151388,0.0232720878460268,11.572170336859749,5.32842652590655,7.006382647642281,1.6863333905487934,2.122619272563297,4.660499135744756,0.4144027599229327,5.437841351946759,0.1675604014351683,18.901151561275142,-2.0214083266660303,-4.458649085794541,-0.4144027599229327,-5.336630406049491,-0.1225215305108843,-18.901151561275142,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,9.196977814284756,9.972462095244058,10.72592961975565,11.453365658466971,12.151327106492657,12.81727000897985,13.449602272595044,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_44,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169041694979013,0.8923897663353827,2.095448335589332,3.729268820707849,5.160178762596154,6.041040490452394,6.4855970408233405,6.689417850810672,6.765245664055823,3.1654625008928297,0.7038060158306406,0.0233576260734192,10.138605592387746,4.848124638277271,6.247009584485861,1.6034498829551975,1.6315721338069644,3.5188670517747016,0.2569724510109334,3.687351741894432,0.244226253898599,13.297309689253492,-0.9381523763023696,-2.1359453583954138,-0.2569724510109334,-2.993931984389837,0.0643455381909458,-13.297309689253492,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,9.1644684294528,9.94901215310819,10.710991701761234,11.44591215822478,12.150147129205829,12.82114518066899,13.457400930360626,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_45,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1040265144907654,0.7311170079813774,2.219861091480491,4.22490319597119,5.896039862359992,6.903211719812118,7.407853863795485,7.638627827932529,7.724401771960938,3.5473801845323334,0.5278521084012722,0.0038316207453044,13.071493539854796,5.811829434193135,8.10182126105643,1.76966460612059,1.270814470293345,2.7964933242329613,0.254162894058669,3.304117622762697,0.088957012920534,11.437330232640106,-1.270814470293345,-2.7964933242329613,-0.254162894058669,-3.304117622762697,-0.088957012920534,-11.437330232640106,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,7.286715288178826,8.1120924805331,8.918130453154488,9.702152085425343,10.461594709604244,11.193995143029683,11.897168426394009,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_46,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168696881360834,0.8924069195972048,2.095671567902712,3.7297514286949087,5.1608395070242645,6.041795727103196,6.486396754515563,6.690237344369434,6.766072425126746,3.165863434242695,0.7038010877178394,0.023342355748427,10.140350560105787,4.849091748018989,6.2475343599276005,1.6036704577464318,1.6315443963512373,3.51877459455422,0.256936429027003,3.687035828567261,0.2442814519506698,13.296450562296243,-0.9378198939187924,-2.135245133128074,-0.256936429027003,-2.9933113261348168,0.0644259516317679,-13.296450562296243,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,9.236725463687415,10.02087864583732,10.782414856390146,11.516873261970462,12.220652398373357,12.891216968833293,13.527070815753,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_47,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1039999210425556,0.730999735924932,2.219547461513261,4.22435040237697,5.895283551596871,6.90233336951151,7.406915735195301,7.637662806842177,7.723426836209242,3.546908313602191,0.5277632200117971,0.0038295735631071,13.067248139283151,5.810393333870683,8.09898274178747,1.7691643946412388,1.2706201953732612,2.796065812169021,0.2541240390746522,3.3036125079704792,0.0889434136761282,11.435581758359351,-1.2706201953732612,-2.796065812169021,-0.2541240390746522,-3.3036125079704792,-0.0889434136761282,-11.435581758359351,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,7.141365684765359,7.966731393792144,8.7725847292781,9.556303251441564,10.31536118036442,11.047320594138617,11.75001446731589,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_48,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168820427921323,0.8924414528916419,2.095723160630946,3.729824589434956,5.160935403096876,6.041908793843534,6.486519570231964,6.690364884683027,6.76620176466803,3.1659288789348645,0.7038315314104806,0.0233433401985489,10.140671503170893,4.849314555692121,6.247706985514085,1.6037440527746307,1.6310430586036184,3.517656719332029,0.2568219468345633,3.6856186332801246,0.244273010763804,13.29165422970936,-0.9371764097420144,-2.133843768174889,-0.2568219468345633,-2.9917519844185207,0.0644976479796099,-13.29165422970936,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,9.223439739599549,10.007656138702032,10.76924887082506,11.503758922856944,12.207586148445497,12.878196139936325,13.514093303757855,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_49,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1039816843282108,0.7309539970952783,2.219518433223654,4.224325830634258,5.895191045821985,6.902156352643439,7.406682860351727,7.637401310288976,7.723154206136094,3.546890016057941,0.527720471350666,0.0038281213666255,13.067002599263622,5.810289085499568,8.098799250059683,1.7691138304171037,1.2707855450205456,2.796429672666051,0.2541571090041091,3.304042417053419,0.0889549881514381,11.437069905184908,-1.2707855450205456,-2.796429672666051,-0.2541571090041091,-3.304042417053419,-0.0889549881514381,-11.437069905184908,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,7.131713544812777,7.957088233538462,8.762948321038564,9.546672474411714,10.305735389823708,11.037699309375906,11.74039723795822,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_50,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169203198732167,0.8923942127299394,2.095470725684137,3.729331457298551,5.160262742634041,6.041131786837992,6.485690736682888,6.6895124024389085,6.765340498060042,3.1655128859796857,0.7038128540003271,0.0233651791503016,10.139011647618586,4.848285048942879,6.247220985800144,1.6035047401721445,1.6316166107932906,3.518969999125533,0.2569862672427375,3.6875067487351902,0.2442201407228813,13.297808398821202,-0.9382460616340844,-2.136146444409872,-0.2569862672427375,-2.9941361995759843,0.0643297536529652,-13.297808398821202,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,9.17648164958381,9.960955416656873,10.722869314473307,11.457728402971767,12.161906367057547,12.832851831854285,13.469059398262464,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_51,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1040388592579638,0.7311517966628359,2.21991108609684,4.224935443906245,5.895996153750431,6.903085060212884,7.407673949052924,7.638420877317613,7.724184339560095,3.5474252923740863,0.5278825053254818,0.0038326113108473,13.071338276266696,5.811985756881006,8.101653103151465,1.7697486629173735,1.2706673041980223,2.796169477587567,0.2541334608396045,3.3037349909148586,0.0889467112938614,11.436005737782205,-1.2706673041980223,-2.796169477587567,-0.2541334608396045,-3.3037349909148586,-0.0889467112938614,-11.436005737782205,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0516,7.29715738695001,8.122521786063675,8.928550585935351,9.71256579920694,10.472004031716027,11.20440152413022,11.907572877251456,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_52,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681223427530505,0.4107029946873768,1.513274947488501,3.464091600814416,5.32871937862396,6.520762406030905,7.132967012218624,7.415854246863842,7.521439727756416,2.761810628436012,0.2937944920470623,0.0044762290012714,10.657118798200138,3.649335721752923,6.402548300789541,0.7162818509503482,3.3202732472394927,7.026187966619386,0.3937789850079234,5.699919548381723,0.853232663812049,18.91312297296093,-2.549687668318336,-5.333652440444708,-0.2396618692236919,-5.699919548381723,-0.853232663812049,-3.2573069251456044,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.653017528996696,14.49305473113187,15.245928932552374,15.922792882977587,16.533175579789276,17.085157224454388,17.585587609224113,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_53,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707290748410738,0.4073230660346468,1.4318336679783965,3.2613423957012846,5.086771182097038,6.28838553903769,6.914126488458689,7.205015609199768,7.31385420611255,2.5936411287736494,0.2946326203124674,0.0048666779418904,9.76562779415508,3.031127161201868,6.077798193424302,0.6323902946465862,2.822146031856903,5.985273414534303,0.3478595984144444,4.770817255638274,0.7270806605522976,16.613346849887066,-1.987940468322719,-4.153001190609601,-0.1810184857076077,-4.770817255638274,-0.7270806605522976,-1.89738609438476,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.932949911286682,14.75421538760453,15.49057416396962,16.153013518260195,16.75093871379202,17.292312489576272,17.783855509366454,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_54,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681504925565075,0.4107933966212093,1.513432033715363,3.4642366429932747,5.328818371777107,6.520824095007836,7.133007409847303,7.415884312978412,7.521465857026418,2.7619671198211795,0.2938680546392915,0.0044798038225713,10.656934929585129,3.6494706970707806,6.4026240982363225,0.716560250142396,3.320029660124504,7.025681595488225,0.3937597844931877,5.69914544496777,0.853216051513808,18.913035773929224,-2.549067169022268,-5.332318208951021,-0.2395672862727406,-5.69914544496777,-0.853216051513808,-3.2534117028782683,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.644866025469176,14.484208068448204,15.236756306469935,15.913536021826692,16.523989695137963,17.076139359291254,17.576795895904766,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_55,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707310295050128,0.4073877646458683,1.432040279349425,3.2615850210212045,5.086971884372726,6.288552649736943,6.914277165042066,7.2051590860354935,7.313995071206198,2.5938870165546604,0.2946734188097348,0.0048664028334856,9.765965309140675,3.031572265874648,6.07806790469493,0.6326720173997408,2.8209521598815144,5.982710187235505,0.3476833190367084,4.7679789630654295,0.7269145708216889,16.608080046736827,-1.9865124107717624,-4.149923591621,-0.180795369214758,-4.7679789630654295,-0.7269145708216889,-1.888674042064496,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.91700508563248,14.738592574917352,15.475339241777354,16.13818994677341,16.736524158276506,17.278289901831474,17.770200210331314,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_56,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681614301952834,0.4107658418610285,1.513032301664462,3.463672297075273,5.32827070916234,6.520280951081331,7.132457475891069,7.415328735514133,7.520907747672877,2.7614198247289083,0.2938751942004258,0.0044806072536713,10.657354682770944,3.648874665393664,6.402753303306799,0.7161738516014384,3.319240366517268,7.023812113716346,0.3934703517653173,5.697521660991725,0.8531883184481303,18.90464639153058,-2.549758846869188,-5.3337015739335785,-0.2395740478357012,-5.697521660991725,-0.8531883184481303,-3.251907594505066,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.791110293099504,14.63663959401242,15.39403544058904,16.074608141618874,16.688032180275698,17.242513201539648,17.745005162006862,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_57,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707571791373416,0.4074260004978113,1.4320439178426108,3.2616717303908445,5.087305580677715,6.289099719004047,6.914945565432371,7.205885734739478,7.314743780139869,2.5939191025798625,0.2947123658007006,0.004870469758912,9.766928005291614,3.031815884992452,6.078465871372538,0.6325823961955419,2.8209630922867865,5.982742096126574,0.3476935837111289,4.767840635093335,0.7269344333878608,16.60882884208138,-1.986291965404303,-4.149447295958249,-0.1807593583346321,-4.767840635093335,-0.7269344333878608,-1.887024129520253,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.895192546987298,14.717486494326794,15.454586974930642,16.117550520503652,16.715838698954407,17.257457603915253,17.74916032002466,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_58,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681662912801093,0.4108112475146228,1.5132596742976046,3.464039704015105,5.328653919573966,6.520640880586104,7.132798177269202,7.41565912551629,7.521234073122232,2.761756700584626,0.2939014963189213,0.004481235262274,10.658064552599944,3.64962864883068,6.4030599216509865,0.7165081901251112,3.31931831827539,7.024006616905682,0.3935088630752291,5.697585006852475,0.8531985573381565,18.906004239451192,-2.549514102250643,-5.33318729785606,-0.2395480198702796,-5.697585006852475,-0.8531985573381565,-3.250986663641616,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.806767946095128,14.646987728284495,15.399977726044094,16.076862117462152,16.68717062776747,17.23899654581632,17.739206519719403,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_59,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707361680092238,0.4073821830925135,1.432009459803678,3.261572858852371,5.087069028514804,6.288754363361424,6.914540564815119,7.205452542252216,7.314299977923635,2.5938556593407047,0.2946706646939462,0.0048675845141284,9.76607286440383,3.031521827999532,6.0780942152827695,0.6325618350649275,2.820735566336463,5.982262328821472,0.3476683300372081,4.767428471525693,0.7268779609960092,16.607639037007623,-1.9860818312280275,-4.149005728427766,-0.180737583015521,-4.767428471525693,-0.7268779609960092,-1.8865679198379,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.90476447536918,14.726870124620223,15.463770485141056,16.126537206175207,16.72463971535173,17.266087711019324,17.757635451916773,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_60,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681860914835898,0.410799830453057,1.512948772999673,3.463432172011368,5.327945651112676,6.519929314723829,7.132099828277804,7.414969974310316,7.520548833947554,2.7612270954752383,0.2939155386515306,0.0044839016886542,10.656033292843343,3.648121969068447,6.402234360814026,0.716143322681343,3.319165028297105,7.023662948158215,0.3934713894754633,5.6974620593085055,0.8531517468749792,18.90424739586244,-2.5496909435048,-5.333568738498767,-0.2395765725170023,-5.6974620593085055,-0.8531517468749792,-3.252431273873852,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.718579770149846,14.557947665298355,15.310305731384831,15.986716255521792,16.596667324083903,17.148223530418754,17.648231130074027,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_61,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707383451913493,0.407380242518056,1.431937439338099,3.2613738595248,5.086782932144935,6.288426416895321,6.914194165445534,7.205098182103442,7.313942728994957,2.593698183825109,0.2946721797651068,0.0048679016788523,9.765219949852431,3.0311716417368006,6.077433762188951,0.6323846692873485,2.821620820502629,5.984152469571976,0.3477891189160224,4.769328317763591,0.7270382743580762,16.6119204647148,-1.987015366435412,-4.151001914995554,-0.1808680281025789,-4.769328317763591,-0.7270382743580762,-1.8910796809362471,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.857553883591764,14.679660133868,15.416608979627265,16.079447659991978,16.677631486275807,17.219162210195016,17.710789791320227,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_62,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681748146433225,0.4107828008383002,1.512898075727306,3.4633474155463886,5.3278451696351565,6.519818081529189,7.131981817391414,7.414848464661851,7.520425954499603,2.7611508892806755,0.2939001782676637,0.0044821539343416,10.655947556856118,3.647813759990965,6.40234544523319,0.7161109002718897,3.3189172558041595,7.02311273835821,0.3934169330494461,5.696817619710202,0.8531378242375892,18.90289158048937,-2.549482155314634,-5.333104154902032,-0.2395299129515409,-5.696817619710202,-0.8531378242375892,-3.250248029545177,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.714681603478676,14.558591066258966,15.314508116231336,15.993744754985205,16.60596751675558,17.159370049678095,17.660893292826618,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_63,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707242177079569,0.4074123950419194,1.4321510077724686,3.2617233037853746,5.087187049972372,6.288858287967243,6.914640976329908,7.205552262037763,7.314399593110852,2.5940144495329243,0.2946816374556863,0.0048653735363628,9.766390189101674,3.031905356057157,6.078032956673832,0.6326375055907372,2.820677398357173,5.982125616834298,0.3476484751495306,4.767097946482683,0.7269061048180409,16.607688750998065,-1.985910145286438,-4.148619682441481,-0.1806950245353835,-4.767097946482683,-0.7269061048180409,-1.8843337379739284,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.852568079353228,14.674227149631363,15.41080716320371,16.0733417137607,16.67127396183088,17.212595432672668,17.704047756327633,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_64,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681419198143201,0.4107196374530132,1.5130112417708512,3.4634328105505445,5.327816606814507,6.519746035490401,7.131901495665499,7.414767785044506,7.520345711446175,2.7612734832040284,0.2938261721557728,0.0044786400162051,10.65434636963965,3.647513701481044,6.40158859947928,0.7160742305504394,3.319660908395295,7.024853886106672,0.3936686702152654,5.698848093870964,0.8531043496667584,18.90879107071584,-2.5494987321488414,-5.3332483333034375,-0.2396362349659747,-5.698848093870964,-0.8531043496667584,-3.256880610627576,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.746381922730588,14.58509225251575,15.337001188935403,16.013147161201974,16.622983918128796,17.174541717371344,17.674636749599262,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_65,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707486209456755,0.4074163419547198,1.4320345333096924,3.26147863586035,5.086777568485789,6.288312837429533,6.914017281363273,7.204890647646015,7.313723552940503,2.593817636975212,0.2947021013442732,0.0048689759095763,9.765059297388689,3.031358044459195,6.077351956423627,0.6325808556753378,2.8214897955283287,5.983871789964382,0.3477700409261495,4.769189978229064,0.7269942336904279,16.61082941176702,-1.987029650819868,-4.151040396891509,-0.1808780119844574,-4.769189978229064,-0.7269942336904279,-1.8918524401042216,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.972628794898617,14.794196709963067,15.530840495058971,16.19354256176824,16.791706012126877,17.33329330624546,17.82502602655644,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_66,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681465867908953,0.4107786786754422,1.5132770126710218,3.463844038139282,5.3282359446219445,6.520135555984394,7.132268306195067,7.4151226684286735,7.520695927164966,2.7616549363832634,0.2938613399993758,0.0044790480876792,10.655061974188618,3.648419548025564,6.401804739185821,0.7164414231057622,3.319730740079167,7.025035981049791,0.393710996830936,5.698862268627734,0.8531144142998642,18.910323038692592,-2.549174293980246,-5.332564443013437,-0.2395997076111519,-5.698862268627734,-0.8531144142998642,-3.255551616780482,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.725405842889709,14.568012306858831,15.323310376381444,16.002428266180033,16.61488731184151,17.168770427826864,17.670935974191085,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_67,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707199746701651,0.4073809463688043,1.4320589626055826,3.2614951452064,5.086714930443141,6.288184820467763,6.913853708978201,7.204710401654506,7.313537056978933,2.593849822532812,0.2946613740690322,0.0048647221181796,9.764615302197411,3.0313213375853265,6.0771863450650745,0.6326542736067017,2.8208618224810147,5.982528042515741,0.3476815191052645,4.767813814330422,0.7268866865086014,16.607809595383202,-1.986361661488306,-4.149608756566892,-0.1807814869067227,-4.767813814330422,-0.7268866865086014,-1.888395615036354,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,13.95309868844804,14.77573545604934,15.513328226631392,16.17687148391348,16.775780272104214,17.318028455116544,17.8103481312168,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_68,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2150918662663053,0.6350042570676044,1.730908392253434,3.83825813601944,5.9905826783892175,7.406150145547956,8.141257109467173,8.482439574845372,8.61000417711426,3.057149223166464,0.5119444653714518,0.0454894207562505,11.583166323427804,5.161020112440066,6.172416647082955,1.1601550521313684,4.251421192076688,9.176376192121372,0.6822552113400776,6.868914840227614,1.0330550195117958,29.77875008809253,-1.410873149506993,-2.9373177314295527,-0.1141456028261384,-6.868914840227614,-1.0330550195117958,1.9047215922749705,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,15.727905427085156,16.67446346620568,17.472367981241124,18.147845100188977,18.722581295677124,19.214244216016656,19.637142552234053,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_69,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2151420031827739,0.6350287659357202,1.7308321048074595,3.838086779995439,5.99038059582315,7.40594502167538,8.141053454563675,8.48223710525228,8.60980221972335,3.0570023978259875,0.5119815892383986,0.0455117788385101,11.5823564787512,5.160517188539243,6.172176867738769,1.1601023362646052,4.251241793231931,9.175988251520897,0.6822256461606528,6.868656756565743,1.033007261917794,29.77737958401388,-1.4108515872805216,-2.937276467552711,-0.1141476049703708,-6.868656756565743,-1.033007261917794,1.904315794428059,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,15.752330467802867,16.69707578590617,17.493485553470197,18.16772234670357,18.7414219261563,19.23221205486989,19.65437016778358,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
RSM0516_70,RSM0516.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2150654104078282,0.6349863801416628,1.7309756381268833,3.8385140532341726,5.990997090302208,7.406651064494095,8.141798373284205,8.482998616746888,8.61056972009603,3.0573384005410684,0.5119213743736027,0.0454777844372556,11.584834347622962,5.161684938576654,6.173137769894887,1.160172152669515,4.251709847322185,9.177004559498176,0.6823068389078589,6.869354288081047,1.03312547914073,29.780980048122952,-1.410899576818175,-2.9373701341024683,-0.1141447848070569,-6.869354288081047,-1.03312547914073,1.9051732181009,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0516,15.702494788897477,16.64917509399463,17.447133540948933,18.12262342039837,18.69734784558759,19.18898474739067,19.61184921718325,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Al], [OH], topology "
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RSM0113_41,RSM0113.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0679742361568532,0.3670883139846277,1.1530789019669032,2.474526186090296,3.7814621355880695,4.644167548294128,5.094781554310714,5.304613727449443,5.383183934971383,1.995531907729687,0.271437404924104,0.0046461446135907,5.945542792721545,1.5990879988911817,3.916205553798757,0.3158363242737104,6.119885797314722,13.26084468907881,0.6798451378141648,8.054226556603087,1.0068120997910712,25.033584912039856,-1.5847535884353694,-3.081410618452096,-0.2675603915524054,-8.054226556603087,-1.0068120997910712,-8.125608615790096,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0113,14.729940916363374,15.48353185647244,16.16251260196363,16.775733640510442,17.33093847956268,17.834796688114174,18.293028691591065,[N]1=CN=NC=1.[O-]C(=O)C(=O)[O-].[Zn].cat0,"linker [N]1=CN=NC=1, [O-]C(=O)C(=O)[O-], nodes [Zn], topology "
RSM0113_42,RSM0113.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0712773978050487,0.3745772871700817,1.288083099560608,2.8336435066462813,4.240009127719119,5.111776424368896,5.5528216789624185,5.755259046172725,5.8306084738703134,2.287161814773788,0.2749646991225688,0.0052065709250482,6.628693912032785,2.2533291973709098,4.2655617946846265,0.4936237835774325,5.989414186054673,12.967664531861228,0.6899245503620629,8.433130658391171,0.9847736355132294,25.06216751114865,-2.009122511212312,-4.03361039191938,-0.328079852649121,-8.433130658391171,-0.9847736355132294,-10.567986594242791,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0113,15.24395960119768,15.95616883660488,16.59022670627619,17.158366854110557,17.670347761954158,18.13395913886143,18.555459582532624,[N]1=CN=NC=1.[O-]C(=O)C(=O)[O-].[Zn].cat0,"linker [N]1=CN=NC=1, [O-]C(=O)C(=O)[O-], nodes [Zn], topology "
RSM0113_43,RSM0113.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0679648489310115,0.3670725671700994,1.1530842916564084,2.474550950153128,3.781483336020413,4.644179340135369,5.094786958976193,5.304615881440877,5.383184830940432,1.995553050912778,0.27142113179942,0.0046448459361137,5.945557316162939,1.599099637054974,3.916216954755869,0.315847559210449,6.1197402081859,13.260521125265328,0.6798139001019123,8.053841677049087,1.0068091943646047,25.032873819593792,-1.5846217315419884,-3.081117877639767,-0.2675304022251931,-8.053841677049087,-1.0068091943646047,-8.124176761854905,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0113,14.730232739948438,15.483772054452215,16.162710693442165,16.775897084279425,17.33107322194691,17.834907541743906,18.29311959843656,[N]1=CN=NC=1.[O-]C(=O)C(=O)[O-].[Zn].cat0,"linker [N]1=CN=NC=1, [O-]C(=O)C(=O)[O-], nodes [Zn], topology "
RSM0174_0,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0062458207900516,0.2139860369355139,1.2312701252278735,3.257790216990464,5.347062022251878,6.730237689645571,7.4507507143978,7.785602799553375,7.910867393552578,2.504464057109462,0.1231156832197601,1.0968108052633189e-05,9.93187326676751,2.923406879061362,6.661310466639884,0.4889991472895512,20.446069802904297,45.88989258881045,2.0768448571852955,6.1499398793187225,1.0901255541906991,58.12066722556016,-20.446069802904297,-45.88989258881045,-2.0768448571852955,4.860424803524108,1.0901255541906991,-58.12066722556016,0.0,0.0,0.0,6.0,1.16,0.0,-26.0,-57.925255,-3.0,-8.0,0.0,-95.0,RSM0174,18.989525859703967,19.51617949081226,19.93618609881795,20.27580001579092,20.55388789764442,20.784207682448685,20.976942047104988,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_1,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0062543045172591,0.2141178017270052,1.2316715031331518,3.2583250006712503,5.347405582460299,6.730346116935905,7.45071312808816,7.785492877833624,7.910729747611199,2.5049965307123703,0.1232053630077548,1.0997103866490251e-05,9.934034180063229,2.924725103889698,6.662298006094087,0.4892282008711195,20.44774301365385,45.89351791858476,2.077123403754511,6.15049745529072,1.0898922606962194,58.13180305290925,-20.44774301365385,-45.89351791858476,-2.077123403754511,4.8565333597256775,1.0898922606962194,-58.13180305290925,0.0,0.0,0.0,6.0,1.16,0.0,-26.0,-57.925255,-3.0,-8.0,0.0,-95.0,RSM0174,19.07234533509401,19.58828343591112,19.999249670085465,20.331252323511137,20.602919513898268,20.82780100683046,21.01590576843321,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_2,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1396458121324534,0.5076767730277257,1.439211051529087,2.998246366029016,4.500599454240981,5.4727903596815,5.975286188680558,6.208142688842513,6.295156483637431,2.437598921233255,0.3958825528688995,0.0196979220958702,8.243369972295058,2.390964820432917,5.473360344850175,0.5756142583986804,4.588193492276476,10.244007303838798,0.6884714805252321,10.095965336478333,0.7871468875838146,23.724254722516783,4.588193492276476,10.244007303838798,0.6884714805252321,10.095965336478333,0.7871468875838146,23.724254722516783,8.0,17.990463199999997,1.0,16.0,1.7799999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0174,3.293251498333979,3.9863494488273616,4.696090328924347,5.405378442742882,6.1013173828648855,6.774951901232086,7.42067098819409,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_3,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430021034977184,0.4781640502062898,1.3662612860362102,3.2151990885638275,5.202833220767397,6.541078187363584,7.242898369548437,7.569971238787537,7.692462072195203,2.514677041239908,0.3814276123806925,0.0208454736702657,10.839147040097068,2.6149990458285246,7.316916368622389,0.416083902148501,4.774081131868908,10.547856997056602,0.8093500520392937,11.076829578437954,0.6074364655492068,32.129770124771085,4.774081131868908,10.547856997056602,0.8093500520392937,11.076829578437954,0.604814721248326,32.129770124771085,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0174,3.577049378570812,4.279312684965194,4.995623829211075,5.708415842033511,6.404814812841983,7.0761246663527775,7.717079264958476,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_4,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1423119283125971,0.4673029178091852,1.156613397678831,2.402462392398649,3.704579345935624,4.577256991086402,5.034516033554405,5.247569896918551,5.327355093927647,1.9384847397944869,0.3770993479084847,0.0206482805881433,7.361451297135071,1.4874579844085951,5.009533032688526,0.1079993167072695,3.5442182884652387,7.891095993095167,0.557573264315389,7.9393015813138685,0.5465373461707493,20.36432460040149,3.5442182884652387,7.891095993095167,0.557573264315389,7.9393015813138685,0.5455392079357095,20.36432460040149,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0174,3.790434161039993,4.510412010107268,5.238794038175901,5.958669024622452,6.657986730332548,7.328892726976828,7.966898173497645,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_5,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1397842031420242,0.5081528571424603,1.4335331755454674,2.97887351411173,4.473855994474285,5.444721706043765,5.947504516679145,6.180704381005758,6.26787957927534,2.422639691806778,0.3963968245099517,0.0197259186669058,8.171021544040498,2.355104650021284,5.436845126131487,0.5618734908747798,4.784003987429259,10.68039529960046,0.7190903459322144,10.536726754886974,0.8182248639457772,24.83156793441781,4.784003987429259,10.68039529960046,0.7190903459322144,10.536726754886974,0.8182248639457772,24.83156793441781,8.0,17.990463199999997,1.0,16.0,1.7799999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0174,3.3135478586743483,4.009877277502634,4.722313323663923,5.433705992406117,6.131156261897122,6.805741098469884,7.451901626943378,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_6,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430607741209726,0.4750161095393184,1.3296324875149363,3.124841766059995,5.077612105939129,6.399816757987479,7.094881771287383,7.419131220261596,7.540613671948584,2.441399370784981,0.3802097643015169,0.0208645586061871,10.44616273007814,2.437843665508205,7.084112640663247,0.3591667533276804,4.668157972649642,10.31450055503766,0.7913165077241526,10.852046683147863,0.5971749208913193,31.39475947314657,4.668157972649642,10.31450055503766,0.7913165077241526,10.852046683147863,0.5949403555382526,31.39475947314657,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0174,3.628170271777542,4.335438024752256,5.055370800895704,5.770519390934149,6.468184853795971,7.139861901081291,7.780467314813085,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_7,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1424138580796333,0.4669670005294365,1.148123456048192,2.371447274548092,3.652551344210966,4.513192230324282,4.964724158445878,5.1752337475143655,5.254085570350201,1.9158188667394216,0.3770491018128647,0.0206781378588126,7.259482233824778,1.4342609807751352,4.965575249893659,0.09897158283507,3.582196902074559,7.98087327408802,0.5558259988166536,7.968618580435088,0.5689452716839044,19.9856697853197,3.582196902074559,7.98087327408802,0.5558259988166536,7.968618580435088,0.5680281469269871,19.9856697853197,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0174,3.801161687163829,4.522491976766836,5.2519755076766685,5.972695298881709,6.672613481040881,7.343899184652341,7.982092671085875,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_8,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.139740050216865,0.5078517764957138,1.4394778142530424,3.000665726023956,4.5067329137731,5.481796951793723,5.985875154933956,6.219483406611692,6.3067808706664055,2.438980087134198,0.3960516876464709,0.0197232896788382,8.260116329464951,2.394739802985572,5.482311096926304,0.575397075712732,4.733143172835142,10.57640270957062,0.6965943885444102,10.305898281190425,0.8397229890111167,23.428996360448885,4.733143172835142,10.57640270957062,0.6965943885444102,10.305898281190425,0.8397229890111167,23.428996360448885,8.0,17.990463199999997,1.0,16.0,1.7799999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0174,3.2945020494082224,3.987624037215714,4.69732376181942,5.4065313761593,6.102369273012016,6.7758949949077945,7.421505730174711,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_9,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430263271485998,0.4772202094420149,1.3551450243986671,3.184420560975854,5.155952921501656,6.485316934639764,7.1829565370337285,7.508178152004668,7.629990553175334,2.4907020011281977,0.38105818031822,0.0208528600936975,10.693320894662635,2.554572894339619,7.233310921138536,0.4007524368826709,4.771003270883425,10.54070437232997,0.808723542152856,11.0505344485844,0.6046573238200714,32.11441515282134,4.771003270883425,10.54070437232997,0.808723542152856,11.0505344485844,0.6017581671035476,32.11441515282134,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0174,3.596066544514224,4.299416999100962,5.016331098947204,5.729318029979095,6.425590044348739,7.096531936675893,7.736946741462595,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_10,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1423665028894691,0.4675630358130117,1.1571843260461467,2.4013573651936784,3.700985174935494,4.5719910885042205,5.028397605852445,5.241060801898602,5.320700808876981,1.9381718337866205,0.3772706820620716,0.0206632473474634,7.330486239196859,1.4810428556166095,4.9936410314608,0.1091403751918675,3.586689153059149,7.989102430437216,0.558743611545767,7.989171894194375,0.5641281464162989,20.18698486691212,3.586689153059149,7.989102430437216,0.558743611545767,7.989171894194375,0.5631000907784945,20.18698486691212,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0174,3.794641850054514,4.514353823452731,5.242504619671344,5.9621690117498565,6.661289755660947,7.332009182883674,7.969837116655688,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_11,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1397908771606791,0.5084860958018915,1.434785593791568,2.9778257538161528,4.467645641039713,5.434299486657719,5.934719566520504,6.166788824603419,6.253536187477673,2.422890651553553,0.3965772399700574,0.019726047109338,8.157237515529014,2.3541876043677243,5.42905681829453,0.5634262237050012,4.802801002750138,10.72570567274798,0.7167159443904331,10.536528557873604,0.8320127243836853,24.530482719182324,4.802801002750138,10.72570567274798,0.7167159443904331,10.536528557873604,0.8320127243836853,24.530482719182324,8.0,17.990463199999997,1.0,16.0,1.7799999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0174,3.313392697455354,4.009293502446075,4.721383095509092,5.432505684340686,6.129755230040961,6.804201487083636,7.450278717754329,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_12,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1431248124594853,0.4761631026296601,1.341631596870415,3.1578543042159275,5.1276685753218745,6.459195783078213,7.15862691738494,7.484804690290659,7.606992989885232,2.4671614819342387,0.380745206854281,0.0208817359871034,10.599202262137272,2.499869974592017,7.172592799903216,0.3746233751871362,4.678233276234148,10.337058011217584,0.7928029516803322,10.887001026348765,0.6008090285925773,31.436423515646823,4.678233276234148,10.337058011217584,0.7928029516803322,10.887001026348765,0.5987723678180547,31.436423515646823,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0174,3.620762496773771,4.327206888231561,5.046560359888554,5.76134508786584,6.458827019014397,7.130465324883956,7.77114420891321,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_13,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1423533018586462,0.4666942804842082,1.1475061812922849,2.372688953266514,3.656716822891764,4.519394792584392,4.971986292887034,5.182985986446992,5.262020678239436,1.9161641201238204,0.3768680999358419,0.0206614771076311,7.293102572434972,1.441089383180261,4.983276579622069,0.0978813730919284,3.557550451323542,7.924521978472576,0.5545341865649065,7.936862327904742,0.5602756045301727,20.03976387193791,3.557550451323542,7.924521978472576,0.5545341865649065,7.936862327904742,0.5594076180015929,20.03976387193791,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0174,3.798898485332312,4.519901042826976,5.249177522448364,5.969787721796608,6.669670408768682,7.340974618104973,7.979224597915077,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_14,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165694107948386,0.899571960301932,2.104459851099756,3.729049105063825,5.199956285847769,6.136359861984421,6.618141660731967,6.841067887270545,6.92432751313366,3.1642734298431687,0.7082333966479457,0.0229208007216708,9.848166676219533,4.848693697976794,5.990687062964566,1.6092457388058503,1.981184658787364,4.359699863263852,0.3962369317574728,5.151080112847146,0.1386829261151153,17.830661929086276,-1.981184658787364,-4.359699863263852,-0.3962369317574728,-5.151080112847146,-0.1386829261151153,-17.830661929086276,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,9.056991234742847,9.884075602324785,10.674196671446898,11.426072090880956,12.139172502737814,12.813513099417902,13.449545924634675,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_15,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.12175207106693,0.7496911304630746,2.012454185372829,3.671861837201764,5.125989426537451,6.037033058551562,6.50261879398493,6.717448556516615,6.797594464280851,3.1028329776793706,0.5579945994487855,0.0051625961067271,9.865014862596,4.519922244061751,6.118248379696671,1.4352462436723554,1.623333268549014,3.661262783570312,0.1862895130934599,3.1136493732966937,0.3950001813849947,12.764970875389889,-0.2395618623855853,-0.4381348225980827,-0.1862895130934599,-1.729877967133265,0.2645975222195729,-12.764970875389889,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,7.545694337380184,8.378591176563907,9.185791892577436,9.967140352414134,10.721527370029992,11.447322181704688,12.142834978886942,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_16,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1041587196259931,0.7089049060989142,2.0934379700701884,4.025961798090759,5.690632316425969,6.704433302046134,7.213482347764215,7.446344491477672,7.532895659198596,3.362724315638969,0.5167990525859619,0.0038283969276337,12.259044388509366,5.172389670365871,7.818871817458659,1.5554981288423284,1.0907216783180975,2.416748345746574,0.1924087648624411,2.6299917972176265,0.1286795114446628,9.473354160847167,-0.8333659703063135,-1.817306577609172,-0.1924087648624411,-2.3726360892058427,-0.0060066239590457,-9.473354160847167,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,7.190279052471353,8.017323057969161,8.830181116539679,9.623572262921355,10.393141005675208,11.13531852486722,11.847318540848423,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_17,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1042307601794301,0.7350536966564009,2.222949521987817,4.184029055168303,5.793674847316236,6.759222371431778,7.242751540637914,7.463916363069814,7.546132977779322,3.5260849672343486,0.5302729730811979,0.0038102101024596,12.031331447560882,5.809729981911559,7.083855078462256,1.7546616288606856,1.1228963772413,2.5098159142531493,0.1642383966302519,2.436803550283315,0.2012958666701741,9.301522344264926,-0.519487589061219,-1.1043354075617915,-0.1642383966302519,-1.8333947621032345,0.0863289890289979,-9.301522344264926,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,7.771117782680967,8.511157032461952,9.24156062637994,9.96069846984251,10.665581232959628,11.352664804862728,12.018475801215397,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_18,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2278217805960049,0.9301140229440712,2.1358279511269185,3.858111577859544,5.56018849792885,6.700054545591256,7.300304147349517,7.580860817607532,7.686076573858217,3.239515429590145,0.7351169296254005,0.0247094845796895,10.644028465122508,5.228316659555111,6.155241271549564,1.6814291000174837,2.484301864539305,5.423588063978397,0.4255015797890494,5.8883145028517,0.3225648210775225,21.050518417450792,-1.7707139333511903,-3.939795460101129,-0.4255015797890494,-5.174726571663586,0.0247137152251881,-21.050518417450792,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,9.024943422516497,9.754881829528768,10.476351303479532,11.183578272925311,11.870957594638345,12.533750906829932,13.16837361635396,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_19,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2265688455913336,0.9299585127927942,2.1364673438764883,3.734188207193186,5.170207900852759,6.078572027080833,6.54411138937281,6.759110979331748,6.839344272740512,3.180151915079992,0.7339171970734645,0.0244509681242669,9.567278237964496,5.273706820667677,5.295670649033348,1.7135879679767438,2.604229932004132,5.709752354558981,0.4367148628064669,6.097948834455868,0.3563684855393789,22.015743841056484,-1.762918696060538,-3.900385293225983,-0.4367148628064669,-5.256637598512273,0.0506680815748524,-22.015743841056484,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,9.0218992163462,9.761364493153003,10.490482666042128,11.203821345689214,11.896031626583184,12.562582522826078,13.200064662908805,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_20,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166026646191734,0.899541795500561,2.103804586391846,3.7250445979305415,5.191433047648986,6.12485690633583,6.605161559586973,6.827424682757676,6.910440420157251,3.16172962568524,0.7082229819794689,0.022942859257333,9.808897769067409,4.843019882970272,5.962326605150374,1.6087108456456962,1.9850240767550824,4.36814870215155,0.3970048153510164,5.161062599563213,0.1389516853728556,17.865216690795737,-1.9850240767550824,-4.36814870215155,-0.3970048153510164,-5.161062599563213,-0.1389516853728556,-17.865216690795737,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,9.060984540660517,9.889338687606902,10.680466625750377,11.433153027171253,12.146903132865862,12.821752527206812,13.45816817821738,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_21,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1217275470338821,0.7497316258756316,2.0117899154874443,3.669942296024957,5.123192898483244,6.033452630445989,6.498514997074627,6.713071170426337,6.793109595131901,3.101272313860652,0.558017327785008,0.0051593900138505,9.847028283332817,4.516273755934667,6.106504056219025,1.4348832336897186,1.630962169162601,3.67993059349051,0.1848933436454999,3.1101089183266,0.4014755018883231,12.794671653303135,-0.2179712672923983,-0.3887435779674106,-0.1848933436454999,-1.6971180164563973,0.2720501613364734,-12.794671653303135,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,7.552999482103694,8.386486395853439,9.194558607960827,9.9768934183512,10.732255115380813,11.45892992593292,12.155182017256315,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_22,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1038682351659496,0.7076130388021887,2.0894960189394807,4.018374783946688,5.680635721885848,6.6933422715928375,7.2019435862754575,7.434622617913764,7.521109115205284,3.356303715528121,0.5158146181772417,0.0038109725108468,12.214206290587793,5.150202300459615,7.79861367664503,1.5496760401914351,1.0770851763399325,2.391332051314618,0.1825452325204061,2.5374470365031816,0.1422352945972087,9.25547588375832,-0.7483671488641285,-1.62567071381783,-0.1825452325204061,-2.208729009027377,0.0144536318329246,-9.25547588375832,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,7.198951756966438,8.028081389002617,8.842993576033228,9.6383005511809,10.409574303264368,11.153204964933218,11.866390834926383,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_23,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1036360323621083,0.7326223476545867,2.218698079222981,4.179870149596455,5.788393797100177,6.751740289312643,7.233618599884237,7.453897393356483,7.535763191443245,3.521860381036361,0.5283399557416883,0.0037698483255924,12.020561429557072,5.796168297789572,7.076348450580269,1.7465413982386506,1.126682587673135,2.519143425200165,0.1634480175830044,2.43426672833717,0.204707731038752,9.314963289703249,-0.5077975881569091,-1.0776151946829895,-0.1634480175830044,-1.8153817288209444,0.090294118730649,-9.314963289703249,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,7.784187650842004,8.52789243488374,9.262005719757283,9.984706175729151,10.692854331762584,11.382806715668352,12.051038032092071,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_24,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2273869895734956,0.9290799587707752,2.133640891697567,3.8415115599100216,5.520995490151248,6.643962138782461,7.235024333377486,7.511239232715571,7.61482008636612,3.229566765379553,0.7341066883255607,0.0246832718516582,10.481982826175823,5.230192345040026,6.01661437077207,1.6790361518196202,2.498635990124125,5.45614989840716,0.4288780307704803,5.92966023628797,0.3224780848133445,21.191709138977043,-1.7901443175806782,-3.9815341852732624,-0.4288780307704803,-5.221168563744522,0.0222634632740086,-21.191709138977043,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,9.043780806615834,9.778105853308205,10.50352736354171,11.214178194174588,11.904405982385104,12.569467190491956,13.205803722030335,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_25,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.226345941691563,0.9289640686385108,2.132387655833217,3.723774618263047,5.153044227240276,6.056923620797366,6.520149232418265,6.734081595896427,6.81391715467706,3.172121136573445,0.7331780381175202,0.024451188798575,9.54563096191405,5.247934282252333,5.28784582712078,1.7100096063242132,2.6121072796124643,5.728818789527645,0.4334097866243007,6.079385572606871,0.3669000240500005,22.01593123545586,-1.7219905866305434,-3.808588938229138,-0.4334097866243007,-5.189268879624949,0.0635131734129903,-22.01593123545586,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,9.025305388994845,9.768871678933625,10.501898889388375,11.218793506282084,11.914109791485284,12.58327489389591,13.222878694935773,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_26,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168970680220943,0.9004702201538987,2.105810839152771,3.731023317341752,5.203159562748544,6.140655536983847,6.6230777329425,6.846316397596245,6.9296951951994,3.165953927317928,0.7090037316823001,0.0229656405261589,9.855906302000356,4.854833629198658,5.99329359500497,1.6110526920150778,1.983367364787319,4.364503021317465,0.3966734729574638,5.156755148447029,0.1388357155351121,17.85030628308587,-1.983367364787319,-4.364503021317465,-0.3966734729574638,-5.156755148447029,-0.1388357155351121,-17.85030628308587,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,9.044165194649006,9.8712312069383,10.661165167924292,11.412767158674464,12.125571938628372,12.799640119581522,13.435452732106617,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_27,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1221894291583132,0.7508475974812265,2.0132282080539983,3.6711234789761664,5.123866007970806,6.034062539894801,6.49921745257723,6.713848190004084,6.793919756182809,3.1026425751145177,0.5590408581741655,0.0052015294417553,9.852146659244072,4.520799161581578,6.109103018640987,1.4366460387553948,1.622908588978602,3.662431774150287,0.1829352566537983,3.086390642208989,0.401618072217077,12.717557818915129,-0.2064439775593812,-0.3631536748500059,-0.1829352566537983,-1.669926030789768,0.2735633925594182,-12.717557818915129,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,7.543393969583314,8.37521177453082,9.18100815299095,9.960838961056483,10.713743088072322,11.438182852244932,12.132519068991972,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_28,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.103940886455628,0.7082294403726843,2.092066996508348,4.022430276434458,5.684162540974572,6.695751698090881,7.203574575618357,7.435850260911098,7.522179367352614,3.3601004694135894,0.5162194348247876,0.0038123670040132,12.233648265141063,5.162531140975518,7.805926663542839,1.5535601904998924,1.0812231570978177,2.4007254777043907,0.1829258606995981,2.5446300426946022,0.1434337881274433,9.286758137614152,-0.7480354498981641,-1.6246532084378305,-0.1829258606995981,-2.211442335494949,0.0153856856377247,-9.286758137614152,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,7.186040539783736,8.014221994226354,8.828257131670115,9.622806982557218,10.39347019551017,11.136646500316695,11.849531606595855,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_29,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1041353571328984,0.7345132790663798,2.219793778516,4.175516249151902,5.779280224510522,6.7404487581442805,7.221515123603153,7.441491260042252,7.523255924838335,3.519558867282824,0.5299114552875619,0.0038037884975458,11.9797531543096,5.781121941257252,7.062887775131398,1.7502521042168555,1.1226018662163528,2.5102198672569926,0.1625443992936616,2.4229570605656456,0.2045999443326828,9.277070476619055,-0.5028421267202632,-1.0666541622876633,-0.1625443992936616,-1.803197321069556,0.0908188648271198,-9.277070476619055,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,7.783610646492844,8.523039860283747,9.252969778852698,9.971731084254396,10.67629994861736,11.363105636517536,12.028656072942416,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_30,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2278081862363943,0.9299085475268616,2.13237116267168,3.84405960507568,5.53345736022268,6.66452480860661,7.260116395504643,7.538495124414629,7.642894249593517,3.2297099584348423,0.7350185212563204,0.0247131364181906,10.545302602120245,5.197997092390032,6.097504042578946,1.6770486943452712,2.479773550282504,5.41358453209887,0.4246032811733809,5.876599799669552,0.3222342256433381,21.00972572797896,-1.7662592614513062,-3.9300314638275897,-0.4246032811733809,-5.163085510838355,0.0250119288219718,-21.00972572797896,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,9.040487762150786,9.769321049114977,10.489723223213268,11.195933202805625,11.882356460450511,12.544261142067008,13.17806511950798,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_31,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2266898967379798,0.9300123050054924,2.134242391902513,3.7275656417193104,5.160377041626698,6.067127284815641,6.531940136099962,6.746623943032976,6.8267423505424905,3.174998809869073,0.7340674660492787,0.0244734359643795,9.52388648593216,5.247417507460479,5.2797693332676685,1.7113506232408664,2.602868673084759,5.706464765353239,0.4367825236573825,6.097128862343819,0.3555849771675235,22.007731134921944,-1.7649565634890665,-3.9051617946397648,-0.4367825236573825,-5.259216752748126,0.0498372106073561,-22.007731134921944,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,9.03677762794853,9.773930428842071,10.50111001242944,11.212815660247529,11.903646977652668,12.569032363348477,13.205529223157532,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_32,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166652541008849,0.899757331834194,2.104292034377504,3.724767662127385,5.18901274147544,6.120514882370419,6.599697428900691,6.821414456049524,6.904222131019284,3.1619227647177826,0.7083943747364981,0.0229484993194829,9.803442032160596,4.8422470624730245,5.960012396106247,1.6094806793042065,1.982568909951844,4.36274597993235,0.3965137819903688,5.154679165874795,0.1387798236966289,17.843120189566598,-1.982568909951844,-4.36274597993235,-0.3965137819903688,-5.154679165874795,-0.1387798236966289,-17.843120189566598,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,9.06825604235386,9.89583432433137,10.686199343233696,11.438146758270255,12.151196993660491,12.825398013652537,13.461224468940548,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_33,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1218853882910458,0.7502031103147513,2.0129267909409227,3.672379552124117,5.126866675662295,6.037952962794776,6.503460247167221,6.718227644113791,6.798345881493699,3.1032438658412964,0.5584161979262208,0.0051732598107406,9.862908230662574,4.521379639611054,6.116235687614537,1.4363483533151646,1.624889184938387,3.66531722082271,0.1856206675096888,3.1098545250158987,0.397101820884264,12.76590707140564,-0.2313174901585012,-0.419362090475099,-0.1856206675096888,-1.7162828302360122,0.2671673536274819,-12.76590707140564,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,7.55443086490082,8.388763532763685,9.197056029252414,9.97920711079021,10.734146490858048,11.460277737886688,12.155944187299353,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_34,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1039229459386207,0.7078681706517238,2.090729812372164,4.0227295259037,5.689048113283371,6.70476507367886,7.215026564526105,7.448497950147663,7.535284214707365,3.359374731434566,0.5160031641462026,0.0038142302535612,12.24660022674036,5.161621442237864,7.815514048511142,1.5515153409667466,1.0676257930719488,2.369861064844254,0.1816715552495305,2.520998235068193,0.1395027990235834,9.183917426116084,-0.7490897594233569,-1.6279159776303955,-0.1816715552495305,-2.202462201419601,0.0123327103489121,-9.183917426116084,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,7.191113076900984,8.020226661660173,8.835127204696938,9.63043815922912,10.40173871105199,11.145422769864489,11.858689644200696,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_35,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1037715764906229,0.7334498972733865,2.2229438103019348,4.190540680625826,5.805817365254852,6.774035274461373,7.258607033837543,7.480175635188575,7.562530218443074,3.530184919381855,0.5288945598795493,0.0037790166002558,12.082602826634975,5.832771115925848,7.100978048436652,1.7522898070542583,1.1286775718419648,2.522790477017365,0.1650018181591445,2.448692117115122,0.2024992789877426,9.348315530454371,-0.5213406097494809,-1.1081603325200549,-0.1650018181591445,-1.841355155022638,0.0869980062763414,-9.348315530454371,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,7.78740116051633,8.530031737898696,9.263109830798506,9.984840889811936,10.692105475239028,11.381272414819469,12.048821560782873,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_36,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2277190308469901,0.9300589899858256,2.138455755597984,3.857676002994553,5.550379848893099,6.682385992334226,7.278195214278058,7.556621010613831,7.6610294610744605,3.2412354409725403,0.7348824056948012,0.0247265049798755,10.589893362500774,5.26676017647514,6.078105428510816,1.6852069669270378,2.5022917320577114,5.464156670634452,0.4295873990077505,5.9389909241197145,0.3227803493330378,21.22411278634004,-1.793582258019793,-3.989137429978583,-0.4295873990077505,-5.230281450081797,0.0220691700276126,-21.22411278634004,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,9.051937006340273,9.784334291791358,10.507963235802109,11.216980360864856,11.90575150891443,12.569541177860518,13.204789486967687,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_37,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.226329282953983,0.92919377560201,2.135070836704234,3.731243191738592,5.164153824853012,6.069942102497041,6.534050594166287,6.748372073974566,6.82835006242436,3.177969621771604,0.7332777159870234,0.0244378245253597,9.594318357052954,5.277883077875094,5.305550180808609,1.7130571447024152,2.6139720016554806,5.7332757626769295,0.4330462165970331,6.0783417344317465,0.3685329484508199,22.022412090877687,-1.71649016431485,-3.796131417573415,-0.4330462165970331,-5.180859897091115,0.065400596832897,-22.022412090877687,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0174,9.02852012484098,9.771694814540089,10.504268065712855,11.22069686719566,11.915565152269114,12.58431667886014,13.223549518513234,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_38,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.093300571389368,0.6122063742269713,1.8502086294043183,3.729210909771556,5.542355019657956,6.73101684994499,7.350076078027434,7.637968083800365,7.745708041434225,3.057686327426579,0.4444853132691822,0.0043389068709144,10.876391231651226,4.312632613977005,6.381556841122936,0.9725547146546656,5.666211895650179,12.604649082216616,0.5970317036044552,3.509580309443173,0.4966102394729202,19.28012521503637,3.5776350577400167,8.160033114395882,0.3273529917345644,-3.509580309443173,-0.4966102394729202,8.492976740240747,20.0,44.926495,2.0,0.0,0.0,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0174,9.863404239860571,10.66203242311129,11.443968636089863,12.203266221563664,12.934150338206829,13.631957619859538,14.293461257250806,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_39,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0925403762937014,0.6090124482148729,1.8198346050400256,3.5614139271674063,5.175186952127636,6.21707915960915,6.757087444864427,7.007813831801339,7.101591982131498,2.950229437193952,0.4421653525429004,0.0042663715760226,9.902255619054868,4.114856697678599,5.791864276720509,0.8974689848586064,5.191595505454101,11.475354337840756,0.5980592986342461,4.897419307982701,0.5363169837318785,20.934827576098005,1.579938609939724,3.735710341037752,0.0790941129051365,-4.897419307982701,-0.5363169837318785,0.1762201469336229,20.0,44.926495,2.0,0.0,0.0,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0174,9.731102096001916,10.567153890163429,11.382082614316632,12.169518141369108,12.923780290752497,13.64059232672374,14.317248406124024,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_40,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0930563962889588,0.6121832127584476,1.855539539409028,3.7396208255211967,5.551136886239428,6.736397526575764,7.353172011398021,7.639903537185237,7.747194657822612,3.0671802264617667,0.4441761868630809,0.0043135566424977,10.879964517226394,4.363566147417723,6.349022343477352,0.9772743816980042,5.74580230426674,12.78096094625756,0.6077858299097892,3.609848382149488,0.5033532831936013,19.644015270741203,3.5851851109273505,8.179467026431452,0.3253129116096197,-3.609848382149488,-0.5033532831936013,8.345098538734415,20.0,44.926495,2.0,0.0,0.0,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0174,9.878339961634,10.678831197492476,11.462394170816092,12.223077107497964,12.955094454448654,13.65377967406372,14.315913697968025,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_41,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0923499466750391,0.6085216557331856,1.823062209696375,3.571881416867048,5.190039518426313,6.233615403154783,6.774206434020154,7.025143764107011,7.118991633451088,2.9583933941353977,0.4416377617778269,0.004249458460916,9.971721511367145,4.154678104357206,5.811479865826792,0.8987095955549728,5.152288112957223,11.38768831132263,0.5923141215659394,4.84591505753213,0.534118387923581,20.7539953865482,1.5742265909795878,3.722248149369551,0.0803373488277418,-4.84591505753213,-0.534118387923581,0.2749244770202946,20.0,44.926495,2.0,0.0,0.0,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0174,9.740262949686688,10.576870309035847,11.392543955963982,12.18080611045264,12.935887643422252,13.65344779517408,14.330740997574695,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_42,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0933233389386557,0.6123341859311742,1.849481485991664,3.7247518903444967,5.533207924614065,6.718563608426319,7.335858347974833,7.622922064047902,7.730350914992625,3.054762834515038,0.4445944818411264,0.0043401647503358,10.824214078733634,4.301240044805391,6.351846496193071,0.972497944263223,5.676374724663836,12.627299481213347,0.5982615336701836,3.518360090645707,0.4973465726777137,19.31892400269855,3.582434479842296,8.170992790396586,0.3276193867804297,-3.518360090645707,-0.4973465726777137,8.493238127108395,20.0,44.926495,2.0,0.0,0.0,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0174,9.889878394169116,10.686108862033755,11.465835961931312,12.223121420462554,12.952188810720155,13.648365748702606,14.30841191558078,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_43,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0927039418608821,0.6094928797775185,1.8193920481844508,3.5590483950620064,5.171562223855474,6.212816587657311,6.752520475407494,7.003108778077713,7.096835625610928,2.9484759807658354,0.4426091251738319,0.0042808910239474,9.8712400204579,4.103984614969924,5.7798355981685,0.8990631945935371,5.195579164594916,11.484732248107502,0.598183474831573,4.889229860529897,0.5360595623030009,20.92746018206884,1.593510305695219,3.7657674589696186,0.0807254721974406,-4.889229860529897,-0.5360595623030009,0.2291400767035472,20.0,44.926495,2.0,0.0,0.0,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0174,9.746074263798029,10.579810245041395,11.392623644144344,12.178170884322194,12.930779423503768,13.646165596859886,14.32160727886466,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_44,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0932874042031725,0.6129518637876156,1.8576183294634008,3.745338946193645,5.561487366451274,6.750101993252047,7.368689786952983,7.65627725022744,7.763890580194183,3.071413620965516,0.4448042908879474,0.0043357187707137,10.938025596663252,4.378202347115439,6.381713051133838,0.9790111494519173,5.738484197201781,12.764743618223369,0.6069616239573659,3.603711986452967,0.5026489963620587,19.616029287032458,3.5821360726752074,8.172396379352993,0.325100403030333,-3.603711986452967,-0.5026489963620587,8.341580449951142,20.0,44.926495,2.0,0.0,0.0,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0174,9.890410960581924,10.688136278942496,11.469158579188145,12.227576055801483,12.957623169294676,13.654631021484672,14.315363438824471,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_45,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0923416725961679,0.6084156227911165,1.8234822476952617,3.573775074010576,5.193480383699985,6.238125397220752,6.779292689040028,7.030502719551619,7.124453420426275,2.959737232924852,0.4415458407097054,0.00424983219722,10.005905907844635,4.163739671762136,5.826201771918194,0.8960846642460585,5.134299686749702,11.34664376034509,0.590792444130589,4.85205890290857,0.5338728239740123,20.727498811801738,1.5438074290980883,3.654553537134917,0.07701826745419,-4.85205890290857,-0.5338728239740123,0.1765317447457819,20.0,44.926495,2.0,0.0,0.0,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0174,9.683134610325723,10.524813770334395,11.345033428028932,12.137353539201928,12.896052436937484,13.616838741310197,14.297013829304165,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_46,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,9.0,18.9984032,2.0,17.0,3.98,57.0,0.0432493596835684,0.3070558868207452,1.157258436622928,2.6673396178341777,4.1523932156843815,5.123335116070963,5.627842877056484,5.862209518748823,5.949879040236945,2.119229085666685,0.2156712202647733,0.001903704239709,7.211956368634916,1.7844805898848224,4.967298393296385,0.3413775653104705,6.067431881457068,13.73774656160411,0.6134863762914137,10.975322891788378,1.6447202317019949,23.2944046340399,-6.067431881457068,-13.73774656160411,-0.6134863762914137,-10.975322891788378,-1.6447202317019949,-8.606886933113614,-3.0,-6.987703199999999,0.0,-3.0,-1.4300000000000002,19.0,-8.0,-17.990463199999997,-1.0,-16.0,-1.7799999999999998,-26.0,RSM0174,14.97147960976016,15.934523153226586,16.766332430081206,17.488083513913853,18.117152890106723,18.66780069284834,19.15177255168243,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_47,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,9.0,18.9984032,2.0,17.0,3.98,57.0,0.0432675956853164,0.3075902364735517,1.1566659707809377,2.659825808733048,4.128407827399614,5.083206124005343,5.577799095835629,5.807229106895283,5.892999973196372,2.115223220505033,0.2160936010875307,0.0019017001804475,7.171057878775203,1.7736106089064927,4.949973909909106,0.3518692987294307,6.083878009727802,13.77350492302125,0.617447331787844,11.023456664030553,1.6445056100016366,23.300859877509264,-6.083878009727802,-13.77350492302125,-0.617447331787844,-11.023456664030553,-1.6445056100016366,-8.80640137545862,0.0,0.0,0.0,0.0,0.0,19.0,-8.0,-17.990463199999997,-1.0,-16.0,-1.7799999999999998,-26.0,RSM0174,15.232634682132744,16.165224540449827,16.97214324424262,17.67313274944407,18.284588895145507,18.820088701726103,19.290889752301915,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_48,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,9.0,18.9984032,2.0,17.0,3.98,57.0,0.0436149233484246,0.3077746834958519,1.156319806332028,2.6630688808505623,4.143091996099499,5.109499006187276,5.611268206203442,5.844277229214761,5.931425297356674,2.11629580249628,0.2164309388598018,0.0019361781538901,7.195752923007028,1.7772899161330382,4.957305770022623,0.3403316331763636,6.0915992479893495,13.790928108361456,0.6183198495978701,11.038158044772311,1.646411947359254,23.328238947185085,-6.0915992479893495,-13.790928108361456,-0.6183198495978701,-11.038158044772311,-1.646411947359254,-8.824393231904152,-3.0,-6.987703199999999,0.0,-3.0,-1.4300000000000002,19.0,-8.0,-17.990463199999997,-1.0,-16.0,-1.7799999999999998,-26.0,RSM0174,14.83304503753839,15.80706817929453,16.648992946666755,17.379974707941816,18.017429932289485,18.575682176391208,19.066546852689584,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0174_49,RSM0174.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,9.0,18.9984032,2.0,17.0,3.98,57.0,0.0433612568173183,0.3082448546745551,1.1599112274929504,2.6663250331040187,4.138922538600888,5.097372125247729,5.59421196690576,5.824766858629399,5.910971619738692,2.120571584194708,0.2164959437851995,0.0019100039465318,7.194221173175331,1.7842660727050332,4.963719017763331,0.3540814763634999,6.122004827655601,13.857785366575133,0.624481475269914,11.117856629814913,1.6483766348003448,23.3688208518276,-6.122004827655601,-13.857785366575133,-0.624481475269914,-11.117856629814913,-1.6483766348003448,-9.104215862207926,0.0,0.0,0.0,0.0,0.0,19.0,-8.0,-17.990463199999997,-1.0,-16.0,-1.7799999999999998,-26.0,RSM0174,14.856447341732707,15.831931406989744,16.67507065539121,17.40689510930698,18.044804462183446,18.60315849298724,19.09382994433555,Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F.[Co]pcu.cat0,"linker Fc1cc(C2=CN=N[CH]2)c(cc1C1=CN=N[CH]1)F, nodes [Co], topology pcu"
RSM0234_0,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0052203534678637,0.215950810468717,1.2534271805679162,3.157584806808389,5.020784656370879,6.227657682175228,6.851024349730938,7.139754259065401,7.24762272882579,2.466072054189677,0.121310502361466,6.600577588783834e-06,8.709221107930214,3.028454084077638,5.135693754887858,0.4380952341679621,19.274688083759795,43.452227914022096,1.9883394483498231,6.573724744787898,1.3793735903386275,57.72286682831228,-19.274688083759795,-43.452227914022096,-1.9883394483498231,6.573724744787898,1.3793735903386275,-57.72286682831228,0.0,0.0,0.0,7.0,1.56,0.0,-21.0,-46.922495,-2.0,0.0,0.0,-60.0,RSM0234,20.680847586447296,21.09313546086038,21.419593140489383,21.682030419232607,21.89586706878733,22.0722175242637,22.219235844673253,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_1,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0052144784447793,0.2158603764073486,1.2535876120071432,3.158492220934795,5.022065082445888,6.228990270108964,6.85233541364846,7.141045440273656,7.248904964090879,2.466740952731451,0.121242621843427,6.585713695180089e-06,8.71347065742465,3.029666583824945,5.138429806346704,0.4383002115624719,19.27448051456444,43.452007659353214,1.9884163003173327,6.57493138956088,1.379850794857865,57.72986070177107,-19.27448051456444,-43.452007659353214,-1.9884163003173327,6.57493138956088,1.379850794857865,-57.72986070177107,0.0,0.0,0.0,7.0,1.56,0.0,-21.0,-46.922495,-2.0,0.0,0.0,-60.0,RSM0234,20.57358760203501,21.00216065717476,21.34159937581577,21.61451345779245,21.836906203930887,22.02032139297065,22.17323245008321,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_2,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0052164798728948,0.2158708880825225,1.2532192615960824,3.157363431423585,5.020631636985558,6.227578070534367,6.850991098717576,7.139744398468504,7.247621916013402,2.4658418958185617,0.1212581621815772,6.590248508333016e-06,8.70726979467724,3.0277670622245165,5.135158934795837,0.4381147334445963,19.27258419850893,43.44783939261287,1.988263022117636,6.574835089020345,1.3799271149175916,57.72746322157218,-19.27258419850893,-43.44783939261287,-1.988263022117636,6.574835089020345,1.3799271149175916,-57.72746322157218,0.0,0.0,0.0,7.0,1.56,0.0,-21.0,-46.922495,-2.0,0.0,0.0,-60.0,RSM0234,20.64353735137988,21.061394715738786,21.392317090269728,21.65837357123933,21.87517619838709,22.05398254302473,22.20305408191141,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_3,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0052168501111576,0.2158863452497443,1.2532293207917196,3.157264806979124,5.020390834743681,6.227227231517112,6.850577233808857,7.139299847920775,7.247165655083921,2.465788236331683,0.121267861074561,6.5910804029940806e-06,8.708184789026243,3.0278000967192846,5.13518501961213,0.4379433286337964,19.27519066592381,43.45329657534673,1.9883657664128207,6.573564297442863,1.379281728976106,57.72239356737458,-19.27519066592381,-43.45329657534673,-1.9883657664128207,6.573564297442863,1.379281728976106,-57.72239356737458,0.0,0.0,0.0,7.0,1.56,0.0,-21.0,-46.922495,-2.0,0.0,0.0,-60.0,RSM0234,20.67814195239886,21.09082897237065,21.417608483313145,21.68030765082833,21.894359464353045,22.070888376254103,22.2180560565586,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_4,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0052093668278952,0.2157663855022022,1.2533060579745667,3.158069550571359,5.021579777041619,6.228478958442322,6.851812773667424,7.140517853090091,7.248375566233782,2.466355393796059,0.1211803758597283,6.572278909247552e-06,8.71183968348549,3.0287098467921,5.137662769471808,0.4381076071836501,19.2746701609053,43.452453829868,1.988443258214762,6.575092195886609,1.3799013939075633,57.73100170711758,-19.2746701609053,-43.452453829868,-1.988443258214762,6.575092195886609,1.3799013939075633,-57.73100170711758,0.0,0.0,0.0,7.0,1.56,0.0,-21.0,-46.922495,-2.0,0.0,0.0,-60.0,RSM0234,20.540404132166245,20.97404977913023,21.31752282306335,21.593687187269023,21.818730579224365,22.004331870781424,22.159064634544663,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_5,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0052166639203396,0.2158836941260248,1.2532491468129203,3.157381717472368,5.02061984306444,6.227537899074198,6.850933605705767,7.139678283749118,7.247552484470875,2.465867003590491,0.1212660310067908,6.588669299965556e-06,8.707172208887448,3.0278108526701235,5.135095551185994,0.4381521944034956,19.27240174835081,43.44749990395973,1.9882726948486087,6.5751432846811095,1.3800567414383,57.72912510901316,-19.27240174835081,-43.44749990395973,-1.9882726948486087,6.5751432846811095,1.3800567414383,-57.72912510901316,0.0,0.0,0.0,7.0,1.56,0.0,-21.0,-46.922495,-2.0,0.0,0.0,-60.0,RSM0234,20.648636276676832,21.06571060783553,21.39601319651525,21.66157163628856,21.877968608688185,22.056440530559843,22.20523336634061,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_6,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413253659199445,0.4991404520329168,1.42554481868613,2.9898489050825563,4.474040800112145,5.423269189990066,5.911090928708681,6.136576121971427,6.220747975929449,2.4297372510896547,0.391130968435635,0.0202858248242582,8.427161972968676,2.3678519042071247,5.484282781774901,0.4124557921495669,10.780438387963985,23.615619225348592,1.4221550205349958,13.002430987668744,0.9046051917423898,48.918390770692376,10.780438387963985,23.615619225348592,1.4221550205349958,13.002430987668744,0.7650966574250531,48.918390770692376,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0234,3.3816047062623125,4.071092523647127,4.777131969980878,5.482705809061572,6.174925809664309,6.844804355887238,7.486679621223004,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_7,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413256530842657,0.4992342392118231,1.4261704382553246,2.991263880074668,4.476046806267185,5.425595587226755,5.913568388081407,6.139120683886499,6.223317172267842,2.430892282611525,0.391178246707178,0.0202855658228906,8.432263372250423,2.370502775900808,5.487070898379292,0.413407176363135,10.756290108214094,23.56167448373335,1.4197643744760615,13.005960971971652,0.9046099854701202,48.8550714337006,10.756290108214094,23.56167448373335,1.4197643744760615,13.005960971971652,0.7658146463150582,48.8550714337006,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0234,3.381631785349551,4.071127499625747,4.777199264959203,5.482817612498183,6.175085718635943,6.845010583555212,7.486927406260918,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_8,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141328497517461,0.4993259456254,1.426979071398844,2.9931702082373186,4.478696801097465,5.428605267080428,5.916735270602137,6.142354689362254,6.226575391439812,2.4324458600046666,0.391219317402505,0.0202864490947602,8.440546104111434,2.374775948540019,5.491844040712822,0.4147480273511577,10.781074071676851,23.61708078721973,1.4222561203622155,13.002612969341778,0.9045294239090808,48.9227402331254,10.781074071676851,23.61708078721973,1.4222561203622155,13.002612969341778,0.7650016514864855,48.9227402331254,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0234,3.3783531093871764,4.067484407673649,4.773298727309206,5.478749098556277,6.170922931032667,6.84081309839639,7.482742372757656,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_9,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413316746905384,0.4991351533316042,1.425507971414404,2.9897996364526485,4.47395510838723,5.423139870234334,5.910933145380453,6.136403862694851,6.220570105155601,2.4296931625384723,0.3911316143905332,0.0202877110951245,8.426754397151942,2.3677813127041816,5.484109203539917,0.4125477017856938,10.788811077334753,23.634373649061345,1.4230085613647332,13.001047823932511,0.904509553955076,48.94219810325759,10.788811077334753,23.634373649061345,1.4230085613647332,13.001047823932511,0.7647483083273409,48.94219810325759,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0234,3.381811068803588,4.071312395229039,4.777362189401983,5.482942682194937,6.175165793961577,6.845044379232418,7.486917186744352,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_10,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413013938745872,0.4991740251247009,1.4260112039650186,2.990974762769108,4.475622299598513,5.425069166427598,5.9129845284180815,6.138509116815367,6.222695076326571,2.430648979787536,0.3911305201764284,0.0202787744324858,8.431293894116438,2.3700964194220897,5.486552624095844,0.4133048810487397,10.77320962776667,23.599492456067413,1.4214571774252571,13.003585174733992,0.9045672544827296,48.90069780680422,10.77320962776667,23.599492456067413,1.4214571774252571,13.003585174733992,0.7652715307122954,48.90069780680422,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0234,3.3815738697134963,4.071086010345982,4.77717233700307,5.482803354512595,6.175082269418766,6.845016169480835,7.4869403885559,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_11,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413433731017729,0.4993033193773657,1.426733243901958,2.9926539836673265,4.477984628063051,5.427776749644763,5.915847611754928,6.141439694306203,6.2256501837830704,2.432014539848616,0.391217989457209,0.0202908509918379,8.439283671687063,2.373909350328689,5.4911068749156815,0.4143743425606991,10.810794940437871,23.68345222392416,1.4252082988966608,12.998799031073064,0.9045655585272614,49.00119989934051,10.810794940437871,23.68345222392416,1.4252082988966608,12.998799031073064,0.7641668949000142,49.00119989934051,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0234,3.379024352601424,4.068258097200949,4.774147925517397,5.479649076881894,6.171852564115607,6.841755198926208,7.483683468123889,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_12,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1553792428296498,0.7776750757319267,1.8724911256339936,3.4425837775299537,4.966142058410432,5.96865214315874,6.491510689836326,6.73480186522501,6.82587054171039,2.88082609621923,0.6013382967916369,0.0094555744388845,8.572387533738056,3.979118974331585,5.173553813908622,1.217522357792172,1.4790404286258363,3.033423209983035,0.061759883774577,1.7580348856405628,0.5092703424136402,7.991867373236986,0.9958694741187472,1.9701803997005507,-0.0348743071268408,0.4345764623027904,0.4664417074211524,-7.3197279570435825,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,6.668764867061452,7.476220017924599,8.276202029462949,9.063323618403658,9.83288851272885,10.580731112506465,11.30328561828078,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_13,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0981988319161922,0.7024357998145067,2.0908140671453275,3.897624697574965,5.3942637986309885,6.300171884811518,6.755895042766009,6.9647535364515765,7.042457580307476,3.2904506444559587,0.5071210597701069,0.0034263682055427,10.718292438532428,4.965516940697769,6.61587674478876,1.5662413396670958,1.527612878138224,3.3856819202597856,0.1829339798934121,1.3747130469738715,0.0880168160874595,6.498140592321653,0.7085053731488832,1.5831932619404814,0.019112478895544,-1.2600826129708045,-0.0370062729560945,-1.4469791225977495,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,7.730335463422012,8.531299558976185,9.322139964429804,10.098300234120238,10.854912053760954,11.587448345282333,12.292130041994398,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_14,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.119394907261959,0.7364909583637415,2.0028577087659296,3.7410500845894337,5.290802069703583,6.262729251818562,6.7586253533385445,6.987182331156743,7.072403544780888,3.138839602959197,0.5481092894005744,0.005066349064469,10.322955435585634,4.587323969049703,6.453252977089933,1.4152897903121453,2.2583734811638387,4.911533087232431,0.1674347138714061,1.074489378450657,0.3026749564716525,7.149331298871663,2.161127476002547,4.697538196082739,0.1479855128391477,0.0330991982549138,0.1902019601623266,0.7361743688921838,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,7.3641429646013155,8.225233886260092,9.066787220662269,9.88517709287764,10.676842316321045,11.43851566517648,12.167494400926987,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_15,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169931377861033,0.8985907929722776,2.111777349397821,3.739806001447252,5.190537770462963,6.10193263413073,6.567373678247927,6.781977060112136,6.862007596177753,3.1765400769869627,0.7072059931294882,0.0233694942297873,9.704505600770682,4.869180501911626,5.798864828970161,1.616348067804278,3.5794488899096444,7.927038401720879,0.4686560190278169,4.050682554504188,0.2096178030961392,17.538759319958956,0.9416477543989707,2.122419837370595,-0.0589042080743178,-3.831979925207312,-0.1122951330590298,-7.294964046121482,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,9.238434166350512,10.05759610391124,10.844018084117597,11.595244527256831,12.309746590033344,12.986747876850972,13.626106709450562,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_16,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1553591812791074,0.7776703109265378,1.872500546754268,3.4424774894142187,4.965861664022275,5.968250504181757,6.491046850857244,6.734309597457263,6.82536773330281,2.8807732263384294,0.6013256998257616,0.0094511345710403,8.5710316661493,3.978902913405207,5.172739172629326,1.2175315491871608,1.4764094789794435,3.027404282792729,0.0615916230648102,1.7604856629243284,0.5094043391860528,7.994429979490556,0.9909037486898388,1.959023676992478,-0.0355095229931106,0.4329655139921075,0.4666814345417611,-7.342377477698065,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,6.668660147895459,7.47618957886066,8.276149117756653,9.063204761204858,9.832689673690894,10.580453656993722,11.302938255913109,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_17,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0982149752276448,0.7024820388894623,2.090821392110489,3.897585297021998,5.39422816779807,6.300159134650621,6.755899647067796,6.9647673866896485,7.0424750763249335,3.2904214344758267,0.5071646549447855,0.0034272398982301,10.71820841865488,4.965404359288022,6.616043588490025,1.566230204214159,1.5350874484182968,3.4023200642040785,0.1835937257121016,1.376176038910096,0.0883684449333046,6.515192523693631,0.7164384508004142,1.600840375198051,0.0198639261885251,-1.2609554846479665,-0.037095298286657,-1.428751226177961,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,7.729456880115879,8.530510666440643,9.321428216703117,10.09765497947464,10.854324048645983,11.586909669123427,12.29163402533202,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_18,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1193718245915377,0.7364590524079104,2.00286213252472,3.7410380996587502,5.290730140165791,6.262610277621295,6.758481332583893,6.987026692610084,7.0722435729306055,3.138841457469049,0.5480730836087264,0.0050639513916126,10.322871931030308,4.587244598043236,6.45321831367898,1.4152483008629613,2.2603488072321385,4.916009492672091,0.167654375227997,1.0748874233470518,0.3026289000527715,7.153701645646851,2.162990296020332,4.701767026107929,0.1481826729856358,0.0321626736622735,0.1900083931163781,0.7422245596939703,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,7.3661963394024195,8.227490489975619,9.06924567142164,9.88782354952306,10.679651354257098,11.44145472257877,12.170528307175667,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_19,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170010973464787,0.8986306941626516,2.111961608394496,3.740273392394717,5.1912503108066606,6.10278533791705,6.568293783459568,6.782927341888502,6.862968990898993,3.176907281920737,0.7072343374846501,0.0233699318012824,9.707071853345752,4.87015744438833,5.800301991155654,1.6166149958101803,3.5779137696740446,7.92309459825672,0.4676676322217117,4.039770912294048,0.2105617457726174,17.50695361969194,0.9509148944279834,2.1422469693362496,-0.0577321428275004,-3.81526488683124,-0.1106565644416675,-7.258566384836657,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,9.235909419190063,10.055397437047771,10.842122212199587,11.59361902996338,12.30835661703652,12.985559779375528,13.625089816868682,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_20,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1554018631400892,0.7777494335900694,1.872849774626098,3.443451541111132,4.967258024892232,5.969831207918055,6.4927023428795145,6.735995848268577,6.827064903533097,2.881538880645169,0.6013964351099621,0.0094577753691042,8.57668981557308,3.9808619560356937,5.175972925024188,1.2179975539083538,1.480286849398272,3.036140867895797,0.0619032290825147,1.759525057966184,0.5094172481820747,7.998285569617917,0.996246823630753,1.970985621113032,-0.034904776070989,0.4335248584418205,0.4664899646194874,-7.323324244329775,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,6.675044183953739,7.480075832151412,8.278144715714424,9.06379239387452,9.832246084729126,10.57926883529448,11.301232941582994,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_21,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0982594598196244,0.7026208908778595,2.091091071705363,3.898075479885253,5.395031659739487,6.301224865933065,6.757118351050947,6.966060827183829,7.043797055259803,3.2908226033784707,0.5072813843593093,0.0034306350189618,10.72183810269631,4.966732226733373,6.618397077158253,1.5666452422348494,1.529289171975447,3.389652247903289,0.1832828041451084,1.3763058588460249,0.0876663831170059,6.504966133480107,0.7084897219557945,1.583440376563642,0.0191229141411777,-1.2637870069207884,-0.0375954940102755,-1.4448231763229538,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,7.723383243741607,8.52440486250137,9.315384251580149,10.091731279284234,10.84855735123874,11.581322888464026,12.286240882975346,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_22,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1194537140252487,0.7366943994873215,2.0033067112061205,3.7419104325410033,5.29201829689679,6.264142121186443,6.760129576788185,6.988726617140944,7.073962442095645,3.139553711860413,0.5482764366916323,0.0050708219926046,10.32831146458999,4.589360705965492,6.456627053036984,1.4159230877134046,2.2577794380733374,4.910283131614224,0.1674672842251122,1.0752172153595203,0.3025128812288318,7.15016327584087,2.159544406143912,4.694111835631863,0.1478202778392271,0.0315872271821653,0.1900150957022183,0.7320257757676129,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,7.350079398965074,8.211577759423074,9.053752008389532,9.872874274420958,10.665314474691604,11.42776165277201,12.157487030620969,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_23,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170087152626216,0.8986406938527721,2.112124019463952,3.741029280249289,5.192638169489925,6.104572282621387,6.570282524676017,6.7850085727958165,6.865084621601051,3.177431689598873,0.707244680780147,0.0233711905112523,9.713030313887916,4.871661783245743,5.804427148183759,1.6168286672356638,3.5850228728303826,7.939260121947796,0.468743990016343,4.04606262583261,0.2102560589067536,17.536036168315984,0.9531530771222754,2.14769377926273,-0.0576299691252784,-3.82458389523613,-0.1116980237913203,-7.25818564603937,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,9.233574974609304,10.052710632981125,10.839267646597314,11.590718544066435,12.305489368861611,12.98277574746636,13.622419058968516,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_24,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1553971501559752,0.7777191584496728,1.8725749666866387,3.4427122451090644,4.966320747931318,5.968867511653079,6.491745950579468,6.73504651856796,6.826118730434666,2.880938184313872,0.6013755693641838,0.0094581695353547,8.572966511446285,3.979386100041326,5.173919447807908,1.2176440882782855,1.4796935779388796,3.0348743045571127,0.0618763683600528,1.759314968738932,0.5092956526422078,7.996557512281853,0.9955483668885824,1.9694875920899588,-0.0349526738500065,0.4332281837330438,0.4663860502078215,-7.323465149530696,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,6.670529289703551,7.477612927863189,8.27728484140402,9.064151241518688,9.833508432780038,10.581183432784584,11.30360363340689,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_25,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0982187251418366,0.7025021538046521,2.0909360379238926,3.897792896440082,5.394459125928471,6.3003767607224015,6.756102263462539,6.964961234548655,7.042665357331498,3.29060491031887,0.5071759969532746,0.003427952274723,10.719040008379489,4.966010735584329,6.616199172894845,1.566414003608792,1.5297604064207548,3.390573863007579,0.1832587951811689,1.3765145346259535,0.0879102508698111,6.506632868283575,0.7092451003866607,1.5849872652836403,0.0191557339743501,-1.262861583951489,-0.0373346878196742,-1.446269639395597,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,7.730222740472597,8.531186920839557,9.32202991196991,10.098194904530828,10.854812960808353,11.587356385583377,12.292045603634234,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_26,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1194119121843881,0.7365275093946266,2.0028718587258783,3.741050327608584,5.290783786951729,6.2626854327728605,6.75856354806413,6.987111076081016,7.072328578234625,3.1388431140702813,0.548145100083599,0.005067930584597,10.322946638039964,4.5874172399175,6.453162864887389,1.415303402865394,2.258839379740113,4.9126041545014285,0.1675143420417005,1.0749499123876487,0.302634110682603,7.15134625984156,2.161198586626901,4.697740511934564,0.147986183419058,0.0323325366414008,0.190106579135324,0.7361668766774033,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,7.363798367378773,8.225007834953788,9.06666992079098,9.885156317407864,10.676904884082528,11.438648489401787,12.16768515864294,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_27,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169815423546093,0.8985442585684912,2.111686170992206,3.7396935405667286,5.190428615644179,6.101830530423434,6.5672761194955935,6.781881774575667,6.8619131850011525,3.176430780982744,0.7071679181291657,0.0233699300423425,9.704091583679318,4.868883340233814,5.798719659111906,1.616233932922683,3.5806858504745747,7.929711692432406,0.4686225463936631,4.04906446124275,0.2098328142894092,17.53659370411466,0.9448364867761502,2.12938810344711,-0.0585473263460218,-3.829331934492258,-0.11205183988544,-7.28471320292363,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,9.238979372399518,10.058088515898428,10.844475381828424,11.595677791620654,12.310162611111052,12.987150657400104,13.626498465524213,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_28,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1553879057102651,0.7777273839647659,1.872555260665401,3.442542885503296,4.965981286881484,5.968423510496952,6.491251771707123,6.734530157063661,6.825594264441552,2.8808292985784494,0.6013793683524757,0.0094551124248668,8.571277677644833,3.979019143118729,5.172969854689584,1.2176055145305855,1.4767175958497902,3.028093860379024,0.0616705848735052,1.761493421285869,0.5094038552733523,7.997751517736665,0.9903797805847144,1.9578822083218312,-0.0355969781795098,0.4318310848616834,0.4666255499623086,-7.3459113503867774,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,6.6704044071184345,7.477645882873832,8.277357299476192,9.064202592952936,9.833511589901883,10.581129985534352,11.303494996111567,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_29,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0982184735839416,0.7024902814788376,2.090837033635144,3.897605243170735,5.394247875017457,6.300174414779407,6.755910842151699,6.964776227201728,7.042482959057504,3.290440297407818,0.5071717972471494,0.0034275709208567,10.718299490336069,4.965441891825026,6.616122781105843,1.5662432566199436,1.5356056374429252,3.40353200042901,0.1836861045415618,1.3765391174066413,0.0882882148305407,6.516976563826051,0.7165916897577932,1.6012492198225985,0.0198833150045354,-1.2618206954399451,-0.037238517055361,-1.4277410751736173,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,7.729214904231432,8.530249218668754,9.32115637185271,10.097378799402907,10.854047586856057,11.58663566914893,12.29136437354278,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_30,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1193822537353416,0.7364621050264862,2.00278743658322,3.74090534903203,5.290588205930013,6.26247129936254,6.7583449450404185,6.986891618507305,7.072109000066646,3.1387210788171,0.5480837699303218,0.00506502820913,10.322232509103586,4.586988134870788,6.452801803406862,1.415136183149815,2.259981850966214,4.915207544874022,0.1676313806726663,1.0748349222473417,0.3025854279673566,7.152886632674421,2.1625417780521783,4.700785597542894,0.1481433660898591,0.0320538657645344,0.1899800826979281,0.7414820363887155,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,7.365862882746153,8.227280264499507,9.069132574124628,9.887787376490737,10.67967613514486,11.44152764831598,12.170639005879767,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_31,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169730830306805,0.8985796324909984,2.1118636035999647,3.740127754389964,5.191072679207784,6.102586876544328,6.5680839642803885,6.7827120944168255,6.8627516869778615,3.1767755558213766,0.7071887758520808,0.0233627967910041,9.706434843897217,4.869819830338193,5.799962844765177,1.6164700799725396,3.5859432145260106,7.941001108895682,0.4683983069070903,4.041404260729228,0.210880791276139,17.525372402644262,0.9592885261135482,2.16091088100026,-0.0569326307754021,-3.8165621194723953,-0.1108260384168487,-7.238730499352057,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,9.235666933257749,10.055308655275573,10.842159880573533,11.59375956146224,12.308579837144514,12.98584855769722,13.625429695420875,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_32,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1553956221414027,0.7777494692972159,1.8728505261521653,3.4434507404895824,4.967304402331826,5.969929795572957,6.492833110751175,6.736142559291547,6.827217727948999,2.881533104215565,0.6013935431123424,0.0094564159083077,8.576633338697553,3.9808539241351673,5.175923937101777,1.2179883924263182,1.4779241613958314,3.0308128957335985,0.0617004201273515,1.759910011384962,0.5094187065254489,7.995389723656821,0.9931809045158668,1.964110152319879,-0.0352482312486413,0.4334470713002789,0.4666251952694835,-7.334085001689066,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,6.674513597552695,7.479561644215573,8.277655867627422,9.063331825229772,9.831813714422443,10.57886321176738,11.300852110884058,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_33,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.098256677951379,0.7026088626056889,2.091062331513911,3.898066789961594,5.395084229648874,6.301329175131196,6.75725150603723,6.966207674848322,7.043949061887394,3.290800280675565,0.507272317291981,0.0034304353267857,10.722010764746129,4.9666551216409145,6.618540882268696,1.5665728138780464,1.5300696493746688,3.391416906650724,0.1834438711449919,1.377923174957408,0.0876421758993147,6.510748884153382,0.7079418401604969,1.5822819118288585,0.0190183093021575,-1.2657645801173127,-0.0377316011954722,-1.4491943729746437,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,7.723248751527349,8.524280482110361,9.315277891185191,10.091646817060656,10.848496024610176,11.581284240754725,12.286223427043993,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_34,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1194404368358101,0.7366318940154682,2.0031818098923826,3.741754889637946,5.291847586847324,6.263960335417734,6.759941183859581,6.98853493762712,7.073769497218269,3.1394053317928434,0.5482273958507466,0.0050703889101494,10.327527773129193,4.589029142062935,6.4560608359495335,1.4157622292207437,2.256975195590243,4.908469697537899,0.167400040405102,1.075380581478003,0.3025127904510978,7.14926681578637,2.158471627384882,4.691707473516456,0.1476993267640299,0.0315228862212354,0.1900592526750633,0.7282173634419292,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,7.349874759888135,8.211369841034424,9.053556977702073,9.872702075348307,10.665170357351029,11.427647528353296,12.157402573821212,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_35,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169999904290207,0.8985908514123705,2.1120188691978985,3.740856366947999,5.1924129090216775,6.104316228612439,6.570011096722556,6.78473011435084,6.864803549400404,3.1772809193674507,0.7072044051405691,0.0233736710089828,9.712278232526002,4.871328601739867,5.803905079512459,1.6166944567226038,3.5943815199744065,7.960427403237734,0.4700146240639461,4.052773703268697,0.210066272350115,17.57020455378716,0.9578132850957444,2.158521900839024,-0.0572990229117863,-3.834092710296224,-0.1127532304773646,-7.252314524983162,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0234,9.233606972983717,10.052789583432377,10.839387759305591,11.59087344634886,12.305672696203173,12.98298152440478,13.62264191114435,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_36,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0647549395767938,0.4069176666124457,1.5102549529502094,3.4416813135312383,5.288159248439795,6.4691302676918605,7.075571916399952,7.355748928884378,7.460313093898569,2.746712057070933,0.2886340288023357,0.0041083707415454,9.697745493048316,3.481517766587176,5.771709383386875,0.7978107400570261,6.041757830396448,13.442780048139364,0.5578330795856875,2.813732281296551,0.7788159019355737,20.59542641975049,4.395607421740879,10.142256797933646,0.5408369469550834,-2.813732281296551,-0.7788159019355737,20.000561777679348,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.177780424843425,14.997384033241657,15.73937435840462,16.411556766599535,17.021058909463267,17.57428603580316,18.0769594596496,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_37,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681636415690763,0.3864927019748337,1.3111706078342746,2.88966720326152,4.411001962818127,5.395030866531026,5.903829184370228,6.1396877385201005,6.227839256354487,2.321459303346953,0.2810663911777709,0.0046303537641536,7.5484684267764575,2.333236156105311,4.774094585513405,0.4277216674601748,5.501832525587004,11.950924175923577,0.6005693161301089,6.930817979452046,0.943099265376978,23.28970128396524,-0.9207030664198071,-1.599067698642242,-0.1183451625335617,-6.930817979452046,-0.943099265376978,-1.8723054692632324,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.681607082877475,15.47040496784254,16.178297454059145,16.815483486496213,17.390666423543962,17.911226020410048,18.38343015402519,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_38,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0498189779335426,0.3724997867976832,1.424723045586666,3.225957371988162,4.944335815975738,6.04825969178804,6.617030134395887,6.880253673467064,6.978564104456812,2.5798672761664263,0.2582491352508793,0.0023628451289084,8.991933491862245,2.980115899790889,5.607395512149245,0.6535706988114622,7.101450714184126,15.771699417135284,0.7230571972227696,4.770647749686688,0.892895665681053,25.36317789307114,3.912117164623895,9.115367189566207,0.4362657373886011,-4.770647749686688,-0.892895665681053,15.325476798875236,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.23814768149676,15.22273804102515,16.088745279180912,16.852096011276988,17.52669857714513,18.12450481176752,18.655724113607235,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_39,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0647473115303415,0.4068514660094177,1.509724252871803,3.440422996874532,5.286491647113832,6.467321132114954,7.073720573170358,7.353884431409101,7.458444670977669,2.7456785833334774,0.2885966428110926,0.0041074715959805,9.69239557535136,3.478382599392098,5.769383923314188,0.7972924702913835,6.043313763300004,13.446210099110449,0.5579032090662288,2.8134556560542348,0.7791079474052416,20.600214091780515,4.397299937824024,10.14616718079746,0.5411087594731424,-2.8134556560542348,-0.7791079474052416,20.01240835602249,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.12014875770456,14.94314237715178,15.688715773726823,16.364460715985263,16.977384649228558,17.5338304681834,18.0394923545194,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_40,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681315322047366,0.3864947631638111,1.3114375710367925,2.890156552868812,4.411522634259907,5.395504113602177,5.904260114099161,6.140095216754432,6.228237364756069,2.321896291983194,0.2810416325313808,0.004625680434445,7.550092900662079,2.3345520714275607,4.774822793720289,0.4280448100992871,5.499139481665197,11.945301250231203,0.6004039483415334,6.927568532285941,0.9422970241981106,23.27719423818658,-0.9190503255138428,-1.5957955180246148,-0.1182893003256015,-6.927568532285941,-0.9422970241981106,-1.8770694651631463,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.684033337444731,15.47622133109178,16.186267344076853,16.824773660481647,17.400712349068595,17.921643616021075,18.393957818881216,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_41,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0497896495848647,0.3724306289823804,1.424587181914546,3.2257213904418167,4.944078576884464,6.0480358257416444,6.616837938312014,6.880079407191722,6.978397059587638,2.579660252682275,0.258187708600901,0.0023598183362318,8.992298722339878,2.9795132757963096,5.607932262050601,0.6533201070158493,7.100462241993094,15.769226562001716,0.7230161632053058,4.773646801382315,0.893017490713893,25.36363027714894,3.907248485064856,9.104604794567072,0.4356902291165836,-4.773646801382315,-0.893017490713893,15.307222584043664,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.195189375521656,15.184855601016348,16.055424136246145,16.82278949608063,17.500883594442328,18.101706819885266,18.63552537356489,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_42,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0647817153238927,0.406813741285751,1.5097508893421745,3.44090122357222,5.287339241317689,6.468365479253093,7.074856181980354,7.355060209361846,7.459635133686314,2.745996283570657,0.2885908722384115,0.0041126481391099,9.696517297535223,3.4792432822569923,5.771494630912275,0.7969484694068656,6.041333968257101,13.441904368793669,0.5578445563051567,2.813796694967288,0.7786502956188769,20.593802686621675,4.395493228235061,10.141916647238924,0.5407688327992817,-2.813796694967288,-0.7786502956188769,19.99615236391605,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.106437900061792,14.930583735558503,15.677559542947794,16.354740929343453,16.969022328672487,17.526695136659747,18.033436862945955,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_43,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681542752057403,0.3868341658340242,1.313144609650246,2.8935781417243427,4.4162687635427496,5.401062269805065,5.910235760114804,6.146264632462691,6.234479283293758,2.324765781551627,0.2812393128584076,0.0046278571219323,7.562305579979617,2.340621963479256,4.781879295172933,0.4298626073845402,5.515109294309252,11.98223492013376,0.6027524782801136,6.9372985464378,0.9421889122072838,23.32575825390581,-0.9010535151567608,-1.5559757127285827,-0.1170623962640619,-6.9372985464378,-0.9421889122072838,-1.8677623551403333,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.76943441049467,15.554616141501237,16.258300968747495,16.891072207336098,17.461851765250994,17.9781408859241,18.446272026987725,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_44,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0498365435669069,0.3727224912048096,1.42566088579708,3.227716859665459,4.946697094536525,6.050975259579467,6.619923490574509,6.883228563163593,6.981569343935151,2.5813676133582844,0.2583874585377437,0.0023640504575456,8.999048645348118,2.9835978750738725,5.611162730751309,0.6547956450769752,7.101073130406294,15.771144174400272,0.7228200821759907,4.764216567051074,0.8927053475472431,25.356094126077537,3.9181359549151193,9.1286697167222,0.4370966636473158,-4.764216567051074,-0.8927053475472431,15.35577447757391,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.157408615821817,15.146026290661094,16.0167077582727,16.784912265663323,17.464284304078184,18.06663470251853,18.602104834939183,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_45,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0647544084297549,0.4068654982727226,1.5100796121777809,3.441435383720683,5.287936654704144,6.468947011773352,7.075413427278955,7.355602675437819,7.460171519312394,2.746476543561119,0.2886010941013806,0.0041086994464308,9.697132373975318,3.4808436352699146,5.771630814691795,0.7975736732930994,6.042801436400191,13.445173382947754,0.5579276876046916,2.813516936032644,0.7788764973039323,20.598124680494607,4.397299565235275,10.146045363552869,0.5410303125674628,-2.813516936032644,-0.7788764973039323,20.0067165541916,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.16525344271376,14.98633543583761,15.729591243010336,16.402859846355184,17.013296500682905,17.56732971856879,18.070700526058125,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_46,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681824063642271,0.3865936805893417,1.3115456236100114,2.8903454119130902,4.411873301513956,5.396004199144411,5.904851242773445,6.140731705923234,6.228891317144824,2.322045874366516,0.2811357106808899,0.0046327208248339,7.550173974001935,2.3343442747951424,4.775044915097051,0.4281639013913463,5.505688259215234,11.960345734559043,0.6013375010273481,6.931985605561742,0.9423825190820624,23.29793796873583,-0.9125703609600034,-1.581399300110575,-0.1178514064741657,-6.931985605561742,-0.9423825190820624,-1.873673793817151,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.70067357226816,15.487876013643191,16.19431809507894,16.83019408154128,17.40419742106673,17.923695904600457,18.394945166750382,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_47,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0498302947113964,0.372493388903712,1.4246482924669948,3.225769902815282,4.9440232557780295,6.047860834489724,6.616585631133868,6.879787833914845,6.9780902656979045,2.579722625189066,0.2582523444982909,0.0023641818456863,8.991437490370242,2.9798629920552027,5.607049660684115,0.6533798293435091,7.098688930177937,15.765363388730316,0.722779260043544,4.770751961607967,0.8927594631743895,25.35573083974178,3.907971779068355,9.10609527049783,0.4358166040876446,-4.770751961607967,-0.8927594631743895,15.312037881285304,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.225264184681224,15.211443637931392,16.07877933116967,16.843248147850847,17.5187985013735,18.11741385235385,18.64932854839023,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_48,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0647604575903338,0.4068784279416235,1.509690283221549,3.44034197424076,5.286452973607302,6.467334129612114,7.07376458501428,7.353943532317653,7.458509509577409,2.7456009150735468,0.2886237314009364,0.0041091574185992,9.692013132628992,3.478202074580426,5.7693485077670745,0.7973294098252838,6.046104380255561,13.452583006147972,0.5581470084194625,2.812970215387771,0.7793056055578443,20.607634110998443,4.401602363476317,10.15582223361529,0.5416115961838932,-2.812970215387771,-0.7793056055578443,20.02889468275352,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.107529485638386,14.931548799478197,15.678078348477388,16.354702840723792,16.968428699101576,17.52560154335688,18.03192035899624,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_49,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681503116288459,0.3865841506337251,1.3117059205248986,2.890580962562004,4.412049255696435,5.396095238604047,5.904885981686849,6.140737635911832,6.2288860492940445,2.322275461276201,0.2811057622057403,0.0046280578871133,7.551094606787016,2.335219783308071,4.775376867348067,0.428308758976577,5.502405059724258,11.953159463938,0.6009369379649497,6.927616725525301,0.941910540383948,23.28417050122309,-0.9121627082633612,-1.5807108261516791,-0.1177535325480132,-6.927616725525301,-0.941910540383948,-1.8699959667306056,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.722796929254558,15.51092304434954,16.217470727005264,16.852949431613602,17.426255792035306,17.94488796048663,18.41518504729754,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_50,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.049795109944892,0.3723567327107108,1.4243283060380756,3.225358153957788,4.943658603530432,6.04757815231604,6.616359282516905,6.879590637187254,6.9779044452300285,2.579323229452036,0.2581463915611646,0.0023608138902683,8.991102195547096,2.9787417312523314,5.607252778027739,0.6529007463090218,7.096556988942428,15.76036157182529,0.7226029279317037,4.772549532983245,0.8927411875019611,25.351746345446124,3.902856347403532,9.09472039148752,0.4352300548415551,-4.772549532983245,-0.8927411875019611,15.293695787290924,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.16192522713553,15.155346080522222,16.029156525948206,16.799316874985944,17.479823353268337,18.082734193855835,18.61836557701626,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_51,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.064766569324947,0.4067927678743475,1.5097558038274606,3.4409607037937184,5.287477610422728,6.468559809248466,7.075079502323068,7.35529685635649,7.459876735790484,2.746032005944525,0.2885673549701943,0.0041106795214235,9.696566453036434,3.479420152563093,5.771499199141496,0.7970608422457985,6.043846502938625,13.447713712121912,0.5580642086680487,2.812690316936956,0.7787526705885479,20.59964519551055,4.400276872173885,10.152594284814326,0.541317199238531,-2.812690316936956,-0.7787526705885479,20.013499865477424,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.124326703234,14.947124606508307,15.692737571146054,16.368608710784944,16.981667120093803,17.538218832294618,18.043944283083977,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_52,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681574865546903,0.3868492409946602,1.3130467553275698,2.8932536779738185,4.415791684473759,5.400516477775614,5.909661933636578,6.145679344491371,6.233889947236646,2.324515433016821,0.2812548624380218,0.0046280647579243,7.561046247257349,2.3401732155213524,4.7810121494097,0.4297075903399953,5.513184737995602,11.978036788102548,0.6025170416201494,6.934591610995776,0.9418976070996412,23.31751186502673,-0.9006233280485028,-1.5551543670720358,-0.1169842616257178,-6.934591610995776,-0.9418976070996412,-1.8650337485786173,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.771827521455624,15.556557101501603,16.259904993022893,16.892420775423737,17.4630033987099,17.979138231783796,18.44714659352441,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0234_53,RSM0234.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0498552721955265,0.3727180907003254,1.4254651000318002,3.227240446105323,4.945986369778864,6.0501205201281225,6.618995429521982,6.882266684843309,6.980594848905497,2.580985714679389,0.2584001281356951,0.0023661364095117,8.997182400093942,2.9828541132393727,5.610015789805711,0.6544038465483845,7.098030144462088,15.76408952364304,0.7225561312959162,4.765770185635507,0.8925996026088279,25.349264460818056,3.912074939443934,9.11515229745585,0.4364022985889284,-4.765770185635507,-0.8925996026088279,15.33388031607348,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0234,14.191579826214618,15.17752524893579,16.045563426772546,16.811269031623404,17.48833759821063,18.08859522947508,18.62217960849928,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology nbo"
RSM0019_0,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0049215492210635,0.2016788660588503,1.2628590553247692,3.441483902442928,5.843529774983085,7.520995427741025,8.419651647389092,8.842704033208795,9.001816687076365,2.616267429119952,0.1115556088009821,9.422709246953128e-06,10.615827374511689,3.6056892590109575,6.280310865960976,0.4728371833075034,20.020025815718263,42.7339384855777,2.0,5.979974184281737,1.521088512005373,57.89987092140869,-20.020025815718263,-42.7339384855777,-2.0,5.979974184281737,1.521088512005373,-57.89987092140869,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-22.0,-46.6827,-2.0,4.0,0.6399999999999999,-58.0,RSM0019,18.5412871180583,18.94110630783579,19.26132897131933,19.521243704487368,19.734761950881627,19.912084189378053,20.060805054239754,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_1,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0049186353568048,0.2016195111928267,1.2626853040077557,3.441270358969464,5.843334255021881,7.520820766061258,8.419488800225144,8.842546765282076,9.001661513104336,2.6160570815562694,0.1115173592918778,9.41204894089206e-06,10.61518905411111,3.605116927101444,6.280104380489225,0.472694489476094,20.0200512110955,42.73398913284831,2.0,5.979948788904497,1.5210772110625017,57.89974394452248,-20.0200512110955,-42.73398913284831,-2.0,5.979948788904497,1.5210772110625017,-57.89974394452248,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-22.0,-46.6827,-2.0,4.0,0.6399999999999999,-58.0,RSM0019,18.44762687632232,18.864218381925685,19.197158328584383,19.466915854191885,19.68819314979616,19.871732375985346,20.02550733564257,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_2,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2319084099836997,0.8697083198696459,2.305704447123458,4.929325379338279,7.764893340756404,9.719132824329764,10.75846907389756,11.246076644098782,11.429204389437055,3.943536048760533,0.685487152114314,0.0276157522954553,19.92819246394635,7.694443080414504,12.351130494753868,2.2720280840647424,2.025814018317203,4.444049278953763,0.3917198587044254,5.159572887952605,0.1670125030803574,17.291320017723766,2.025814018317203,4.444049278953763,0.3917198587044254,5.159572887952605,0.1670125030803574,17.291320017723766,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0019,3.311543543674826,3.9891932053545696,4.675076137115669,5.355728419155906,6.021443550617,6.665805480763732,7.285060375966549,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_3,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2317332319652937,0.8616477801034743,2.2743971604875104,4.909604648423695,7.767221244317136,9.731603666863318,10.774224051755663,11.262866451797892,11.446300362699098,3.916191102507262,0.6813321289022015,0.0275518493113359,20.065456084635898,7.559367069248785,12.386195095260224,2.1043039270031194,3.7270595084032574,8.10703747998074,0.6537049586295964,8.95669917744003,0.4328446838089566,27.12404956205546,3.7270595084032574,8.10703747998074,0.6537049586295964,8.95669917744003,0.4328446838089566,27.12404956205546,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0019,3.0102877984643315,3.6271166038626825,4.259930780088032,4.896637821608498,5.527787848934155,6.1465162787059935,6.748224014883222,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_4,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2318674666132677,0.8697209352444877,2.305974956469512,4.9297256307973765,7.7652954279777795,9.719525591674593,10.75885842118296,11.24646504665828,11.429592560409183,3.94391572101897,0.685466606255618,0.0276070994219275,19.93021758059079,7.6958978615411056,12.351492527993472,2.271814744271344,2.0253973674910606,4.443129013180298,0.3916332269565768,5.158463183143675,0.1669895279899402,17.287339049505075,2.0253973674910606,4.443129013180298,0.3916332269565768,5.158463183143675,0.1669895279899402,17.287339049505075,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0019,3.3103111993507373,3.987830371953263,4.673641554237281,5.3542568083921305,6.019955256113427,6.6643123078289,7.2835689700235,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_5,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2316568162721592,0.8615090466968337,2.2743048222869504,4.909704605229194,7.767514430564107,9.732022045082664,10.774707340082433,11.263379882827833,11.446825068623516,3.916219254951121,0.6812031486542157,0.0275348160569487,20.06763950947131,7.559258598833277,12.387497654740676,2.1038273025928014,3.72698288431682,8.106866099447872,0.6536869517372479,8.956478498214805,0.4328443490136449,27.12317220002325,3.72698288431682,8.106866099447872,0.6536869517372479,8.956478498214805,0.4328443490136449,27.12317220002325,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0019,3.0113390494941,3.628201388457826,4.261065224654224,4.897822938285938,5.529015698142579,6.147774340647199,6.749498050708506,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_6,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.231881004237748,0.8696777672197737,2.305770476049816,4.929594369234281,7.76537566610059,9.719753306527886,10.759159854529104,11.246799653110909,11.42993937966416,3.9437284341969465,0.685450500381648,0.0276107475568947,19.930816636497507,7.695279595884366,12.352285202049206,2.271595053751974,2.026427512683311,4.445387024916012,0.3918306466436301,5.161072685832352,0.1670777806872669,17.29600770163755,2.026427512683311,4.445387024916012,0.3918306466436301,5.161072685832352,0.1670777806872669,17.29600770163755,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0019,3.31052778837053,3.98821122658712,4.674141819340686,5.354847682592879,6.020617310606592,6.66503167011943,7.284335255310924,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_7,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2316524738962715,0.8615205211369159,2.27435945335942,4.909864123660196,7.767799789061347,9.73238409989149,10.7751056132638,11.263794008809471,11.447244959643047,3.916335136133296,0.6812075935495944,0.0275333716923468,20.068742408984026,7.56008726997476,12.387851955661173,2.1038592339424,3.726084826033521,8.104901424264225,0.6535185414925863,8.954233157974212,0.4327604822863178,27.115873774313435,3.726084826033521,8.104901424264225,0.6535185414925863,8.954233157974212,0.4327604822863178,27.115873774313435,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0019,3.007981936360064,3.624700227828799,4.257468084635375,4.894178376372207,5.525368530307142,6.144163695731038,6.745956801741814,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_8,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.231874811906708,0.8697034048824388,2.305834276887037,4.929513106296981,7.765090152227908,9.719334424042138,10.758674183160744,11.246283687372992,11.429412208446363,3.943714219430186,0.6854630808325226,0.02760761869706,19.929207471346,7.695099063800658,12.35125441569191,2.271797274480804,2.0262617571489074,4.445004354513106,0.391780117693506,5.160502698696956,0.1670987612559399,17.293299452800884,2.0262617571489074,4.445004354513106,0.391780117693506,5.160502698696956,0.1670987612559399,17.293299452800884,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0019,3.309562857435404,3.98705667050153,4.672870993734767,5.353509989231249,6.01924602032125,6.663649218303592,7.282956721069658,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_9,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2316966447083652,0.8615778246505672,2.274361250183569,4.909756455330658,7.767573733359104,9.732077942987452,10.774757580385746,11.263426523914658,11.446870202608572,3.916268790803871,0.6812683975739324,0.0275433809459719,20.067643776451675,7.559635334825565,12.387414888374671,2.104006313540282,3.726754768885184,8.106392343762817,0.6536687039278505,8.956104400307987,0.4327770522891865,27.123035430523625,3.726754768885184,8.106392343762817,0.6536687039278505,8.956104400307987,0.4327770522891865,27.123035430523625,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0019,3.011034726378492,3.62786271445217,4.26069748420627,4.8974311502420695,5.528604756045104,6.14734897158638,6.749062712934916,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_10,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1586018631646774,0.8060037502764624,2.085528738725372,4.254783206587265,6.649050597759589,8.337515906013722,9.246587452690356,9.675488826750628,9.83694758417376,3.438177088713997,0.6181797358213278,0.0098508457313352,13.776194843904891,6.241114995851015,7.827875329409347,1.5249228480879666,1.9695851404932376,4.039161757242722,0.1035724201853559,2.6003005775743806,0.6508416528552072,11.325782332968194,1.0502514824053872,2.016120237270186,-0.0802943114322142,0.1634768490396859,0.5790393019880525,-10.767107722892794,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0019,6.230294001454931,6.997003851632792,7.767191269085457,8.533409235534098,9.288995842962004,10.028108367130972,10.74583190526698,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_11,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2091831064985151,0.94978448775027,2.4842429036000024,4.967831211447554,7.607844101888203,9.440835162620614,10.421333692222545,10.882661904557434,11.05613354862538,4.048533061408086,0.7307093350361076,0.0202806072992062,18.50614649476693,8.302952149623327,11.001306730056928,2.237986773194458,2.3151155999862265,5.053772735856848,0.4234895287381468,5.703031829891401,0.2361835756098452,20.04536857469407,-1.919779687395242,-4.265334558581018,-0.4234895287381468,-5.307695917300417,-0.0602590945068572,-20.04536857469407,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0019,9.37594796354961,10.14812637702284,10.87720340369449,11.565885680198466,12.216555303887668,12.831311478700137,13.41201459518401,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_12,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2146837495424535,0.9686909567193308,2.5573742038965737,5.191836016071884,7.974905213378945,9.88751702908622,10.904717641899357,11.382036364700264,11.56132038162168,4.215742661940408,0.746114021313843,0.0205842236765702,20.566806807106925,8.971201139654008,12.283555677590934,2.3774604350562885,1.8123689725943075,3.981256277046925,0.3557271186055104,4.658185921438391,0.1395158454191347,16.176387235081744,-1.7449022134607963,-3.8467039459690073,-0.3557271186055104,-4.59071916230488,-0.1094931376047223,-16.176387235081744,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0019,9.604231210327734,10.3402171028955,11.028886183171403,11.677009608368651,12.289493224193292,12.869797730951504,13.42035448188069,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_13,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1586075440464471,0.8060550297595602,2.085708170658024,4.2552174497256825,6.649709082761656,8.338300789538016,9.247432324059378,9.676360365843204,9.837828913320916,3.438519853899152,0.6182172817033991,0.0098500240986841,13.779482509928808,6.242454912013468,7.829729635143391,1.5251828026393222,1.970153630007818,4.04043659907507,0.1037017301881513,2.601549624400949,0.6507959631799534,11.330149212465878,1.0497350617216454,2.015007677795796,-0.0803819834690831,0.1618218534187645,0.5789043444498195,-10.770475291208244,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0019,6.226216362053888,6.993552884952944,7.764294480215957,8.530995472260678,9.286996919404988,10.026461406127702,10.744480822438176,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_14,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2092005059970656,0.949855456820841,2.48448394648799,4.968275835502442,7.608376282283424,9.44138667281852,10.421887044813776,10.88321455696963,11.056685708575856,4.04892002626822,0.7307625703496756,0.0202831873983445,18.50877629288604,8.304725309416542,11.002280213199604,2.238364493578541,2.3144635373923603,5.052318432617683,0.4233402942931972,5.701185891737937,0.2361732223398555,20.039123572825744,-1.9189394055396112,-4.263504880257153,-0.4233402942931972,-5.305661759885189,-0.0601649836653821,-20.039123572825744,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0019,9.379511972081357,10.150608380651276,10.878919747404929,11.567056485452936,12.21733406164426,12.831806014580229,13.412301417286717,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_15,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2146555407251741,0.9686603429706416,2.557387613738007,5.191969578034268,7.975160751152651,9.88783996599834,10.905070777173371,11.38240237817942,11.561691025082496,4.215829299659277,0.7460798018269859,0.0205777364179044,20.56841730995188,8.971562654108224,12.28465767154592,2.3775318167772577,1.8120658185256733,3.980569887107171,0.3556477841441831,4.657248091679139,0.1395296939735812,16.17328477551203,-1.7444120229161575,-3.845644539833333,-0.3556477841441831,-4.589594296069623,-0.1094237549273467,-16.17328477551203,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0019,9.605118846032548,10.340284219974995,11.028422601373684,11.676217232311805,12.288510835869005,12.868719323254204,13.41924257851448,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_16,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1585940970898471,0.8060203289608616,2.085756854765456,4.255354718070935,6.64986240905994,8.338446256837168,9.247570148403156,9.676493979792102,9.837960854638116,3.4386366937038826,0.6181820636349131,0.0098493283257926,13.780076006065316,6.242919908685535,7.82977485737476,1.525237674359957,1.970226691755788,4.040562597248515,0.1036727864498088,2.600928871695927,0.6508093266804347,11.328548852800123,1.0503694811743658,2.016368972789145,-0.0802986556664756,0.1625518626175625,0.5789396000890684,-10.767569714000128,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0019,6.229479856447308,6.996376397232835,7.766717316455254,8.533062337251883,9.288754278528067,10.027953958616166,10.74574929921276,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_17,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2092026347273349,0.949825862373521,2.4844058828495266,4.968286719145469,7.608566025299823,9.441707143778318,10.42227578513898,10.883634773023298,11.057117640933644,4.048881701197672,0.7307440177910658,0.0202853803279701,18.509732368353266,8.304722140326763,11.002917606551126,2.238286932989202,2.314711779767014,5.052876322970686,0.4234012133658655,5.701921486693939,0.2361694669353229,20.041583166152385,-1.9193003538916424,-4.264287545776138,-0.4234012133658655,-5.306510060818568,-0.0602113824207827,-20.041583166152385,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0019,9.37567055927595,10.147892377191768,10.876994040640565,11.565690214089264,12.216367855962751,12.831128977021658,13.41183552244695,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_18,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2146424191869384,0.9686378207114192,2.55740371658862,5.192059535957773,7.975286607213955,9.887973942957496,10.905205662125477,11.382537082937548,11.56182557598146,4.215896644939136,0.746057132849065,0.0205750025297029,20.5689511754648,8.971999868665051,12.284598778656273,2.3775242923729367,1.812029959016452,3.9804857563762943,0.3556355492302054,4.657114352858095,0.1395366769556857,16.172860779686363,-1.7443255332856022,-3.845459434919976,-0.3556355492302054,-4.589409927127245,-0.1094082075054578,-16.172860779686363,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0019,9.604061371482569,10.34005831864796,11.02874149870888,11.676881237879371,12.28938243326006,12.869704908661094,13.420279310343329,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_19,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1586121275273419,0.8060282113159678,2.085632699623174,4.25507426243938,6.649493375922283,8.338037141038074,9.247143792120957,9.676060280090242,9.83752450591544,3.4384023142515643,0.6182004067112861,0.0098522145157429,13.77823748713078,6.2420604505015165,7.828794299318214,1.5250847896822168,1.9702795932882564,4.040653755079318,0.1036550743901713,2.600661402176841,0.6508377002476722,11.327923095546351,1.050704605994064,2.0170811776391084,-0.0802599230686671,0.1629761325689328,0.5789810027141974,-10.766439463830247,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0019,6.226856299846478,6.994109844609417,7.764785263387732,8.531432589749759,9.287389795193514,10.026817227272351,10.74480514700224,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_20,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2091589636980894,0.949757337621215,2.484329633146425,4.968083692078711,7.608204230063002,9.441250876835998,10.4217756887299,10.883115676617932,11.05659166533424,4.048734049465024,0.7306759853016064,0.0202755379537225,18.50804741391965,8.303846688862961,11.002205119820283,2.2381280848119864,2.315368765944116,5.054326405088049,0.4235368296402588,5.703663403066187,0.2362075452696458,20.047580422525755,-1.9199995304584736,-4.26582177029726,-0.4235368296402588,-5.308294167580544,-0.060268235478535,-20.047580422525755,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0019,9.38014065453462,10.151180874654129,10.879451369203371,11.567557074129889,12.217810020968075,12.832261588005595,13.412739477785514,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_21,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2146648109842964,0.9686647889476576,2.5573666065100222,5.191927651158245,7.975106911723369,9.887779986770674,10.90500790450875,11.382338218737628,11.561626393135247,4.215793308425362,0.7460882086397393,0.020579263560873,20.5681502795964,8.97138737096111,12.284474017739276,2.37746473116592,1.8118759348831608,3.980153485668848,0.355611211273038,4.656765625067465,0.1395137698860604,16.171603899876565,-1.7442361778472188,-3.845256136224216,-0.355611211273038,-4.589125868031523,-0.1094140780050659,-16.171603899876565,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0019,9.605847181830534,10.34095597572803,11.029037870928798,11.676777923360287,12.289020138730924,12.869181195418593,13.419661326174738,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_22,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0626173093332693,0.3652641016742611,1.441287372131257,3.721838902360505,6.196917170971053,7.881898955226037,8.771335958678488,9.187139592300964,9.343067019875232,2.856522223831511,0.2620581464874856,0.0040089732143944,12.597117013674415,4.052295581426142,7.474156192591733,0.5731774779233039,6.8318072017214,14.511829821964156,0.651787752321729,3.395590869875317,0.7742229548787775,22.04831031801912,4.702217265505153,10.109852208224364,0.5016146944009262,-3.395590869875317,-0.7742229548787775,16.792253290791017,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0019,14.630083059757474,15.428483493049958,16.134987911632212,16.764208588399974,17.327431859890947,17.833580059405474,18.28987726077621,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_23,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0723030751571674,0.4108150302042405,1.54597373764686,3.9531409012145935,6.577846286881591,8.360569407301677,9.299161247765175,9.737298885742186,9.901492371428136,3.036798845828133,0.2972575686457958,0.0051048243258504,14.480828674860543,4.625159402954743,8.718711928362461,0.7896355703709025,5.433436324799164,11.498811128527018,0.5144294223976517,4.223003276199622,0.8106692072544865,19.71096582510276,1.6677215789085102,3.660030648517752,0.1956863679731157,-4.223003276199622,-0.8106692072544865,8.554958920244001,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0019,12.638049117385975,13.5460836284348,14.359149214240514,15.089683257762248,15.74822554749851,16.343647302195425,16.88342509260993,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_24,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0626062002498982,0.365272113194792,1.441451895126563,3.7221547136478255,6.197336833422711,7.882384986980935,8.771857263554004,9.187677518395311,9.343611203598206,2.856793608788853,0.2620515537273297,0.0040075125845148,12.599177221106745,4.05305762098227,7.475234669519638,0.5732404056643233,6.832806180053439,14.513987738958477,0.651940743137189,3.397496873720237,0.7743424030689114,22.0528615482642,4.70164082185418,10.108596276013714,0.5015039570535726,-3.397496873720237,-0.7743424030689114,16.78757403533763,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0019,14.484964712591603,15.29891402351729,16.018965221671163,16.65996002993747,17.233421339535553,17.748490449533637,18.212584232683884,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_25,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0723013723083203,0.4108239506545308,1.5460578723415312,3.95346080319622,6.5784415658532165,8.361347631806412,9.3000331623012,9.738213823611677,9.902423310835175,3.0370244332063048,0.2972624660599913,0.0051043564368012,14.483891742786756,4.62604756118534,8.720707265319971,0.7899451625277947,5.433565702394953,11.499073131059404,0.5144116286677359,4.222091333337879,0.8106516677402744,19.71035415421622,1.668790828803662,3.662327356090278,0.1958240244521255,-4.222091333337879,-0.8106516677402744,8.559788006669852,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0019,12.724471794387735,13.62327963693076,14.428216138468189,15.151636628777991,15.803969545470885,16.393971270999636,16.929011100505704,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_26,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0625905559508968,0.3652979772261165,1.4416367058199635,3.722474017994306,6.197685623011284,7.88271981386103,8.772177626850352,9.187989789551052,9.343920243788244,2.8570796115197927,0.2620556982176945,0.0040052966233597,12.600123728381226,4.054065678616087,7.475489682891014,0.5735369502451906,6.834762780462751,14.51816377761132,0.6521096827665276,3.396789547288172,0.7744117982183308,22.05702292888424,4.705038146612982,10.11584926141724,0.5018704099410455,-3.396789547288172,-0.7744117982183308,16.79864837999236,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0019,14.629567518543697,15.428183206695357,16.134871896926523,16.764245840037777,17.32759357011801,17.83384066793942,18.290214776528067,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_27,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0723150238745856,0.4108516967240209,1.5460874163061644,3.953432422243043,6.578346171801952,8.36122156682193,9.29989722018346,9.738074837548735,9.902283444858892,3.037021449455389,0.2972870899722628,0.0051064606928165,14.483621913122786,4.626039214835036,8.720351537589778,0.7897194594584722,5.434031889803227,11.50008002815235,0.5144891700829255,4.22329019357562,0.8107272868587686,19.71284236936872,1.6681748527181206,3.661000705107969,0.1957315041692091,-4.22329019357562,-0.8107272868587686,8.556324062388645,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0019,12.616372183808382,13.526555524228844,14.341526485289778,15.073738922084248,15.73375646651184,16.330475452154854,16.87139609392832,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_28,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0626268857795125,0.3653424213423373,1.4416621278319557,3.722549689762479,6.197811031737817,7.88286748620258,8.772333242001912,9.188148250406416,9.34407963264034,2.8571344066557467,0.2621064788927074,0.0040100983954948,12.600715540187982,4.05405600677088,7.475897074671931,0.5734830512623247,6.833520139847613,14.515489920019125,0.6519918281407863,3.397587558500988,0.7744398082204818,22.054986610175984,4.702302802116275,10.110031314191186,0.5015904660556026,-3.397587558500988,-0.7744398082204818,16.790938937194554,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0019,14.492113024776494,15.30530471783325,16.02469487735279,16.665114830795233,17.23807618488555,17.752709580045885,18.216422432972216,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM0019_29,RSM0019.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0723056957885458,0.4108047257068,1.5458750727191708,3.953066610771165,6.577920542427131,8.360769156663984,9.299430543542176,9.73760111864918,9.901807004401087,3.036694448152773,0.2972564370076404,0.0051050937097226,14.481406962302051,4.625092378785503,8.719099888480324,0.7895506272020766,5.433762938633,11.49952481092452,0.5144662888532855,4.222646657959952,0.8106273940508553,19.711229465065934,1.668699183366109,3.662101080906972,0.1957799233466252,-4.222646657959952,-0.8106273940508553,8.557206672332828,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0019,12.73175113306598,13.62990350895053,14.43424302877067,15.157125575163958,15.808976485831945,16.39854747273963,16.93320268570877,[Ni].[O-]C(=O)C=CC=CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Ni], topology pcu"
RSM1533_0,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0130561855602922,0.3669902119862694,1.7248768361870266,3.829710546027185,5.7530103829837405,6.973945827165658,7.6009348739248095,7.890803865220602,7.999028230800383,3.091646009332776,0.2189262372535648,3.502344833379705e-05,10.557010467110256,4.823452669591002,5.723537348231905,0.907683652442807,18.00805307434552,39.86166064882097,2.0,7.991946925654481,1.6064163819162438,65.95973462827241,-18.00805307434552,-39.86166064882097,-2.0,7.991946925654481,1.6064163819162438,-65.95973462827241,-18.0,-39.8456,-2.0,8.0,1.61,-56.0,-20.0,-43.8343,-2.0,6.0,0.7199999999999998,-66.0,RSM1533,17.406476294383122,18.27852719273281,19.001830252009487,19.605659283455378,20.11325061653649,20.54292901283588,20.90913981209449,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_1,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0142805985639748,0.3359970202849476,1.5276534046672952,3.45849045806054,5.279501722250189,6.452525443335009,7.058812764887096,7.3398950243959185,7.444958628033797,2.771832612640458,0.2053645190980326,5.725201494393011e-05,9.424858681894218,3.99134598330747,5.272451186029036,0.6745210401037848,18.10136408299823,40.06257495729962,2.014529135593227,7.984621199020887,1.5916363587215714,66.50885961191729,-18.10136408299823,-40.06257495729962,-2.014529135593227,7.778834237635234,1.5916363587215714,-66.50885961191729,0.0,0.0,0.0,8.0,1.61,0.0,-25.0,-54.83706,-3.0,-7.0,0.0,-101.0,RSM1533,17.749888461128208,18.551070411798445,19.21662629317805,19.7742025466372,20.24509000340001,20.6457742708326,20.98911893740277,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_2,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0102876756803379,0.3019874475766583,1.525914532302326,3.5556812809607314,5.452699201167,6.662273876282756,7.283722477484993,7.571004775686435,7.678254071580005,2.834877052359334,0.1776480967984916,2.761704812836531e-05,9.491095422943658,4.041737893603835,5.305304043824191,0.6986253473701316,18.00238230980438,39.850351159558365,2.0,7.997617690195615,1.6089398721370494,65.98808845097808,-18.00238230980438,-39.850351159558365,-2.0,7.997617690195615,1.6089398721370494,-65.98808845097808,-18.0,-39.8456,-2.0,8.0,1.61,-56.0,-20.0,-43.8343,-2.0,6.0,0.7199999999999998,-66.0,RSM1533,18.07148637652325,18.73952056565644,19.28614481696865,19.73885282681901,20.118311188901075,20.44013982965684,20.71621831923837,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_3,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0128622768646552,0.3648591191772727,1.734351959920947,3.832407029117148,5.71928627867091,6.909940012200818,7.520406209197662,7.802517870194285,7.907833242652723,3.1017271806559243,0.216909222711032,3.599639496053244e-05,10.403805932236905,4.880145319832721,5.543642539766166,0.9147321292303712,18.00686844514298,39.85894734572987,1.999822289746898,7.990821321566692,1.6060887555939518,65.95179637454314,-18.00686844514298,-39.85894734572987,-1.999822289746898,7.990821321566692,1.6060887555939518,-65.95179637454314,0.0,0.0,0.0,8.0,1.61,0.0,-20.0,-43.8343,-2.0,0.0,0.0,-66.0,RSM1533,17.409527451568618,18.269996737544663,18.98639019154269,19.58623005372099,20.0916462441943,20.52027212337854,20.886123058319573,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_4,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0142174385117949,0.3360395710055252,1.5264910803782477,3.449489170159092,5.256064178490461,6.41639222140346,7.015192083735209,7.292605816931776,7.3962673935691425,2.7664835843673203,0.2053496409901554,5.5581864134337696e-05,9.33911809204075,3.972511480090159,5.21553619318465,0.673944757141812,18.10403257907073,40.06831834069256,2.014897813953944,7.984471889528863,1.5912689194215777,66.52167560699489,-18.10403257907073,-40.06831834069256,-2.014897813953944,7.774137663925512,1.5912689194215777,-66.52167560699489,0.0,0.0,0.0,8.0,1.61,0.0,-25.0,-54.83706,-3.0,-7.0,0.0,-101.0,RSM1533,17.428816215650638,18.26983449911388,18.969416258272823,19.555586304402908,20.05031508996935,20.47083625856704,20.83071868221348,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_5,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0128042304880915,0.3638170572685996,1.736665998055926,3.8519488099677215,5.759045600466592,6.9627862833422665,7.57985998280853,7.864987403398628,7.97142170363999,3.1142461443152083,0.2161402211636632,3.610383355956893e-05,10.552038559967537,4.923375449904229,5.624374300624536,0.917362564580274,18.00612224969236,39.857339116252575,1.9997614610384893,7.990776743808003,1.6061282264820342,65.95078271254037,-18.00612224969236,-39.857339116252575,-1.9997614610384893,7.990776743808003,1.6061282264820342,-65.95078271254037,0.0,0.0,0.0,8.0,1.61,0.0,-20.0,-43.8343,-2.0,0.0,0.0,-66.0,RSM1533,17.306318977996664,18.17417743562091,18.897147482999927,19.503077753655308,20.01423457732862,20.44829637348068,20.819284861316163,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_6,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404932902268079,0.4822551076103938,1.2575641146489358,2.4492286559301744,3.5198461900068128,4.186752778535097,4.525548990934776,4.681378949284433,4.739432559282904,2.032481790390653,0.3829204704934073,0.0200819081559324,7.2435364876569155,1.5448460874002352,4.906962795725492,0.1228276975709137,2.269679113649908,4.9885892285693965,0.4481573294746938,5.8549377494474575,0.1697122128091578,20.02261749497902,2.269679113649908,4.9885892285693965,0.4481573294746938,5.8549377494474575,0.1697122128091578,20.02261749497902,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.409800191350157,4.061915826381519,4.73626658177592,5.415941111342919,6.0877060305666895,6.742003085662678,7.372517683315973,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_7,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407471931400881,0.4908095932481131,1.3041682916612058,2.535610405902703,3.6312531506266144,4.312490593536648,4.658643639449319,4.817912051250134,4.877257737985259,2.107138764488625,0.3874585133034173,0.0201265928056475,7.478961300405558,1.681279260670731,5.051250518670485,0.1661993201588033,2.5319901085077428,5.553171087173792,0.4883527941255414,6.438812461512074,0.2110741093005549,21.52474504624919,2.5319901085077428,5.553171087173792,0.4883527941255414,6.438812461512074,0.2110741093005549,21.52474504624919,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.3864877858564606,4.0318215427497535,4.700008761800769,5.374429394980552,6.0419646152586415,6.69304952461777,7.321290492313937,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_8,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408287085118119,0.4942195277816669,1.3203349333271512,2.563646953748355,3.66655298622182,4.352084363377463,4.700495423735434,4.860830975280578,4.920579480131833,2.131769654464019,0.3893378465358241,0.0201345441544281,7.57919283244688,1.733785853692691,5.104833071748208,0.1776804104462105,2.450922548608948,5.372214496063095,0.4696531665501198,6.208147881009906,0.210060846849507,20.621108915463644,2.450922548608948,5.372214496063095,0.4696531665501198,6.208147881009906,0.210060846849507,20.621108915463644,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.3680022293445635,4.012153507913824,4.679365922294316,5.353061178783513,6.020128306627491,6.670987486351389,7.29921729791989,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_9,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411724503618015,0.4822123468169856,1.2383213927101544,2.4380709501502595,3.5927030176077914,4.346088803598124,4.737572296900339,4.919453209246027,4.987492769940301,2.008700802777374,0.3836026679135825,0.0202755137604025,7.022860043496875,1.390110107270748,4.831457177581207,0.1098171909199608,3.13565951339445,6.805016287150869,0.5348286986669856,7.414289102730335,0.392564673459932,21.759711339716738,3.13565951339445,6.805016287150869,0.5348286986669856,7.414289102730335,0.392564673459932,21.759711339716738,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.446283865294395,4.0999266637745455,4.775965018024827,5.457383739497573,6.130784994670366,6.786460328269191,7.417987870721498,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_10,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411197977588874,0.4842511215676057,1.2419447235782866,2.407271459144161,3.509746914665808,4.227621802432462,4.601094479394148,4.774776668401204,4.83978044641996,1.9940507266878056,0.3846511357787584,0.0202531458157924,6.8571400293570814,1.3666254031634617,4.7192539869639845,0.1082263884437961,3.424172331609261,7.43381206327981,0.5866228006856203,8.117154737094223,0.4238389362805827,23.94273438994712,3.424172331609261,7.43381206327981,0.5866228006856203,8.117154737094223,0.4238389362805827,23.94273438994712,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.4055257012826337,4.055708601908808,4.729697020600984,5.410280724742905,6.083810373594339,6.74032972446828,7.373201550775179,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_11,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404143798649292,0.4881043534660039,1.3242812675920197,2.6679764948965485,3.911206535024205,4.700047717574461,5.104641860339499,5.291562796488947,5.361329110144343,2.1926350129445176,0.3854947071715616,0.0200471249668291,8.063054060179498,1.9041783703774613,5.362556845627482,0.1817947837767502,4.75954314829471,10.279015558767409,0.7631552370644833,10.864785044810576,0.687080631495239,29.62315085304029,4.75954314829471,10.279015558767409,0.7631552370644833,10.864785044810576,0.687080631495239,29.62315085304029,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.370936142959323,4.0299130604847,4.711301455848183,5.3978454377722365,6.076034846711285,6.736132578404286,7.371735600362498,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_12,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405608533661907,0.484088309940101,1.2692545112469071,2.475552292146196,3.561595063907638,4.240406647537056,4.586045080472237,4.745209614048934,4.804536088642296,2.0536285413717232,0.3838629043090954,0.0200964311443597,7.335482227319883,1.578592821878882,4.974428650236844,0.1348303783627981,2.553922884496534,5.620040111324616,0.5107845768993068,6.640199499690989,0.1787746019147572,22.98530596046881,2.553922884496534,5.620040111324616,0.5107845768993068,6.640199499690989,0.1787746019147572,22.98530596046881,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.4074277847620715,4.05799866262552,4.73088655363928,5.40926904346459,6.079953550737237,6.733390617474137,7.363255082627512,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_13,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409462092342701,0.4791831937057,1.2081686758790524,2.2868236925251733,3.253639002977418,3.861229093294776,4.171936740301169,4.315334828268088,4.368836556868763,1.9114421539221087,0.3819644480210916,0.0202183368978634,6.471905169426231,1.242304083787456,4.477385919314509,0.0837102166745818,1.9926573058868489,4.283914123516233,0.2989519601142385,4.347836099344574,0.3217470703661596,10.977231397593377,1.9926573058868489,4.283914123516233,0.2989519601142385,4.347836099344574,0.3211050871109792,10.977231397593377,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1533,3.447817386106652,4.104829053460492,4.784100732872714,5.468426296600008,6.144307008001744,6.802001469706667,7.435099969127687,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_14,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405287191071065,0.4891345222974752,1.3352041944776791,2.7161412338137247,4.025407316382317,4.870350332177639,5.307330634161713,5.509955163961187,5.585696445793811,2.22367873131828,0.3859450322203742,0.0200838265147698,8.157170647969187,1.9396209852225663,5.43340542619813,0.1998786517809741,4.715232642028557,10.200904194140312,0.7731059587304292,10.900080311871989,0.648704853083153,30.54125390098725,4.715232642028557,10.200904194140312,0.7731059587304292,10.900080311871989,0.648704853083153,30.54125390098725,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.3740293817341827,4.030189390504637,4.709521310816028,5.394673676401447,6.072002394252435,6.731637597278762,7.367062049017242,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_15,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411514277581368,0.4823351772709429,1.2851987878240672,2.632300082521388,3.957526028448935,4.832577680049712,5.29025849751774,5.503564036337419,5.583466702778344,2.1453626997607342,0.383044392157798,0.0202846417328482,7.509035180156669,1.6830242118383414,5.057514223851578,0.1701903109679313,4.042369895681427,8.733161052381707,0.6510709410475688,9.250937424061975,0.5780965891140435,25.36311639492268,4.042369895681427,8.733161052381707,0.6510709410475688,9.250937424061975,0.5780965891140435,25.36311639492268,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.4016953156064,4.068405831015103,4.757923870198416,5.45224591267321,6.137359303419859,6.8032431312142645,7.443378290661462,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_16,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141015616819603,0.4804710111138597,1.2141213672351898,2.292995100540462,3.253005059053521,3.853478754991407,4.159818688404648,4.30104859342034,4.353717724627897,1.9185370250105989,0.3826696682634742,0.0202345548431096,6.44443136001933,1.2519235718510475,4.454023646195911,0.0883569762316478,2.1608917362560143,4.6357609449547805,0.3162539732725196,4.688127611858552,0.3682791222416858,11.334384556587777,2.1608917362560143,4.6357609449547805,0.3162539732725196,4.688127611858552,0.3682298609600801,11.334384556587777,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1533,3.4384081383196,4.093792300133406,4.771757093430482,5.455126515906897,6.130379815997507,6.787729729689152,7.420713784549852,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_17,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405269428860941,0.4846577539076884,1.2671087757061412,2.4580884187134764,3.521856976548838,4.18340311273547,4.519392766729077,4.673934138098607,4.731509398040755,2.042768896566705,0.3842214138457804,0.0200839632463108,7.163809442103237,1.5535588223946009,4.864362750321448,0.1388261916835795,2.201921477652185,4.829769650850035,0.4251826382812952,5.603382583902547,0.1826376107777938,18.753177291429736,2.201921477652185,4.829769650850035,0.4251826382812952,5.603382583902547,0.1826376107777938,18.753177291429736,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.4148343622529738,4.065658465057989,4.7385251947645495,5.416694267835236,6.087042136600565,6.740071904033296,7.369495763185008,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_18,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141014601933597,0.4788033886358711,1.2054290119619022,2.281442886422436,3.245796687413254,3.8514609732773377,4.161048051681922,4.303897368642626,4.357189248537781,1.9069189559432864,0.3818243672182127,0.0202390711504457,6.456508954095251,1.234374098130907,4.468457343463193,0.0817808520405099,1.9871361081300063,4.268616757088455,0.2951306388341601,4.319460161141454,0.3273975482608219,10.734405533040912,1.9871361081300063,4.268616757088455,0.2951306388341601,4.319460161141454,0.3268915105782087,10.734405533040912,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1533,3.4532804148884777,4.109053950531386,4.787024708599516,5.470098662560816,6.14484293199777,6.801548144518247,7.433813781833518,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_19,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406814728518013,0.4918835030812368,1.3510661549689114,2.7499277088384457,4.074286674328702,4.928698770134153,5.37054238076839,5.575416979546735,5.651998663852854,2.251467486570212,0.3874336543950268,0.0201188314660033,8.293773589687914,1.9967036651573709,5.510494111878049,0.2109010605855758,4.754392840764556,10.287772006780134,0.7816108910692838,11.007279969318828,0.6501843933853202,30.94079817102708,4.754392840764556,10.287772006780134,0.7816108910692838,11.007279969318828,0.6501843933853202,30.94079817102708,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.3647791395821773,4.019629313663936,4.697907637692189,5.382262569067375,6.059032491779988,6.7183200735971145,7.353576540254127,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_20,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416938943762955,0.48850374125181,1.3147789151407765,2.675661407971388,3.987843224703329,4.842407811137809,5.286111314232858,5.492196851773394,5.569283795327157,2.187235784379149,0.3865288548052814,0.0204228321424147,7.698040284075181,1.7776130496410254,5.135624684716982,0.1767612649242549,4.127826248773029,8.909981408342368,0.6467140092796178,9.059099124286668,0.5946816968892248,24.72320719569793,4.127826248773029,8.909981408342368,0.6467140092796178,9.059099124286668,0.5904101491021952,24.72320719569793,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1533,3.3639580928752,4.02832740568579,4.716486882129575,5.410272869908258,6.095504722478268,6.762006051968048,7.403123787185872,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_21,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405631603716162,0.486226629124671,1.2759119286535294,2.475122149175592,3.5449590123247314,4.2103641150886695,4.548409375008881,4.703922962490021,4.761865011751945,2.0572473035741665,0.3850472601422825,0.020088951750566,7.240584189901316,1.5866404106887286,4.904607608621084,0.1431701870985683,2.2054377574499897,4.834810862617923,0.4232704542609058,5.591601391537236,0.1877877003260467,18.60174301101346,2.2054377574499897,4.834810862617923,0.4232704542609058,5.591601391537236,0.1877877003260467,18.60174301101346,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.405693665236078,4.055532439822578,4.727609976939784,5.405201366455016,6.075173715456783,6.728007464149719,7.3573867078743485,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_22,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409039694560515,0.4794432914023322,1.208711954058444,2.281722261087089,3.2357173445724645,3.8316817319193217,4.135491396163093,4.2755041482609375,4.327711367600237,1.9093099709901376,0.3820824620885352,0.020205159602727,6.403714629671219,1.2353920306702897,4.430323593841743,0.0851522470188961,2.1139390876987467,4.533900881586876,0.3083168311362688,4.578497112344162,0.3623674050882601,11.013235740833544,2.1139390876987467,4.533900881586876,0.3083168311362688,4.578497112344162,0.3623325788480434,11.013235740833544,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1533,3.4412725421501635,4.098024986653013,4.777189931826379,5.461550538443287,6.137580202526904,6.795505815048421,7.428888796015977,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_23,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411824563104265,0.4855794392540678,1.249047539112316,2.4208152186483414,3.524983098084915,4.241719711767261,4.613968668884851,4.78694437963903,4.8516620742094405,2.005827567319004,0.3853821073450852,0.0202664863827641,6.906289641837306,1.3891737777566486,4.746829074688146,0.1137046860806124,3.4261819083493803,7.435395612482445,0.5842714654230879,8.100353631734086,0.4291419515471842,23.768093037869253,3.4261819083493803,7.435395612482445,0.5842714654230879,8.100353631734086,0.4291419515471842,23.768093037869253,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.395274505068365,4.044736453796074,4.718252274677369,5.398583791697713,6.072046125760688,6.728646137281389,7.361712188022378,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_24,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405454192381496,0.4921847199541034,1.3456897740679254,2.7070669638697176,3.959965970255552,4.753242954240756,5.159778599751327,5.347534982724125,5.417604078049615,2.2266501131167664,0.3877079471678551,0.0200681267366157,8.194207692120191,1.9737907059410564,5.431991405130695,0.1971051631066659,4.859494063479255,10.500744762742178,0.7848738394800482,11.138484779319642,0.6908364092231782,30.643698446207093,4.859494063479255,10.500744762742178,0.7848738394800482,11.138484779319642,0.6908364092231782,30.643698446207093,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.3447370629493536,4.001016303104667,4.6802699044604354,5.365244554904783,6.042394794250195,6.7019244218669485,7.337360328609528,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_25,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410677182920371,0.4819069009791308,1.2770054190611833,2.595367707607628,3.882660324895174,4.729132560934238,5.170946255819938,5.376660615531574,5.453688899484323,2.120282214325863,0.3828057443536026,0.0202620634198851,7.419114499850535,1.640931665770397,4.998592539336023,0.1520163853809891,4.2277898102010045,9.126295595126887,0.6736477566636215,9.61551458963042,0.6180989261998678,26.0169490674026,4.2277898102010045,9.126295595126887,0.6736477566636215,9.61551458963042,0.6180732504219899,26.0169490674026,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1533,3.4012127459938544,4.067225666394818,4.756066588553743,5.449753124272881,6.134291615206831,6.799674647927566,7.439390153500157,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_26,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410039058590719,0.4795243462334373,1.2752425606279243,2.629283184891851,3.960899036727828,4.83443503543266,5.289167466972264,5.500585161320555,5.579696817197032,2.13876368087121,0.3814894006098214,0.0202513733229116,7.506358788927265,1.693923403870143,5.044749259543643,0.171025572569311,4.038022711352473,8.715367928139646,0.6294624583905546,8.780651709822395,0.5808815082553301,23.98390449958771,4.038022711352473,8.715367928139646,0.6294624583905546,8.780651709822395,0.5757178821885601,23.98390449958771,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1533,3.418652723752408,4.088435702831523,4.780140971871835,5.475875883216859,6.1617616363968,6.827911147875671,7.467926216014997,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_27,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402937658201841,0.4848794770848197,1.3107530307792803,2.644049475155434,3.87538469121203,4.653637884103073,5.05175623733152,5.235441887098464,5.30396122863381,2.172252562987298,0.383653286939603,0.020026400369769,7.986799780016706,1.8621074987211288,5.314740708822652,0.1708581898256271,5.221295058988175,11.290293731909886,0.8508200027320982,12.02785508084496,0.728188796127053,33.45092489630601,5.221295058988175,11.290293731909886,0.8508200027320982,12.02785508084496,0.728188796127053,33.45092489630601,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.3796236045182195,4.040110663659688,4.723795118061325,5.413000608223989,6.0938877556337605,6.756496121122248,7.39429202708544,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_28,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140434783414869,0.4852588948588511,1.3159435687089716,2.677067761962362,3.9668907143828194,4.799411257152147,5.230249974781938,5.4301194811198,5.504847863700497,2.191640281434689,0.3838824451016482,0.0200670444599878,8.169523795571871,1.8890359365469929,5.43933574586139,0.1700224033375275,4.4402002235454665,9.663414853842466,0.7837960233310712,10.710568410194035,0.5062715557319737,32.664720515447655,4.4402002235454665,9.663414853842466,0.7837960233310712,10.710568410194035,0.5062715557319737,32.664720515447655,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.353975406012736,4.00749796857176,4.684533196918472,5.367817275027367,6.043737008958495,6.702410507015302,7.337281192157608,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_29,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405164366183781,0.4809341788679575,1.2486231563298054,2.431360505531428,3.49598062845908,4.15937170885247,4.496353180654693,4.651333843535473,4.709068197205735,2.0173290122076937,0.3822996277755116,0.020091501057376,7.176904284801986,1.512557594579162,4.871211472030884,0.1168415731345992,2.297658436814071,5.049003599370145,0.4526323662331142,5.918717366678984,0.173772317695172,20.19597345224765,2.297658436814071,5.049003599370145,0.4526323662331142,5.918717366678984,0.173772317695172,20.19597345224765,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.415161549350477,4.064367689395887,4.736201517037168,5.413787912429586,6.083879063377734,6.7368761405107005,7.366413207294062,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_30,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406221854697912,0.4852113228669399,1.2761770400401884,2.4899607944976467,3.5815623215573704,4.263632592112419,4.610905812330846,4.770820798583928,4.830426808981026,2.065644493359476,0.3844551753218385,0.0201110362819128,7.394226673014981,1.6045500518396565,5.006548979401403,0.1394591722459289,2.5649507224858,5.6443074422675705,0.5129901444971601,6.668871878463079,0.1795465505740058,23.084556502372195,2.5649507224858,5.6443074422675705,0.5129901444971601,6.668871878463079,0.1795465505740058,23.084556502372195,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.3879507556406643,4.034740653908992,4.704500373860511,5.380445029524759,6.049354912817792,6.701615056584678,7.330816762892922,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_31,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403894662887035,0.4854118294400339,1.314380087499194,2.653976884168496,3.897306708842393,4.687539923499046,5.093191321972041,5.280674126520354,5.350661693989428,2.179443551962949,0.3839427582551314,0.0200543530834514,8.012227432742405,1.8724377643540504,5.332345597586222,0.1742784899118707,2.7513981171463984,5.956285118595097,0.4549269974725533,6.390814096926825,0.3713840418691096,18.087899237346743,2.7513981171463984,5.956285118595097,0.4549269974725533,6.390814096926825,0.3713840418691096,18.087899237346743,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.3715415284597103,4.028234028400782,4.708171666322364,5.393918245484401,6.071788110752581,6.731894927593718,7.36771870509504,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_32,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405345466213878,0.4829671747145974,1.3011118437921778,2.6503974963495405,3.936275933628344,4.768093085245525,5.198874782431926,5.398765418237669,5.473507951037466,2.16798172983987,0.3828079572283555,0.0201038452217006,8.103013465837394,1.841233474872614,5.411017480792211,0.1586903835374161,4.514325754118072,9.817832434473528,0.7901832831380398,10.835792019222389,0.5272813046987174,32.741201049072416,4.514325754118072,9.817832434473528,0.7901832831380398,10.835792019222389,0.5272813046987174,32.741201049072416,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.362239446280101,4.018678472074394,4.698109928183973,5.38323334861338,6.060469634336436,6.720004993678071,7.355361681968216,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_33,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411119856795998,0.482319541789375,1.2370478290795903,2.4245818605082303,3.56132687356328,4.301653508031666,4.68611582148392,4.864695288425483,4.931494284143885,2.000660349743705,0.3836203493892683,0.0202581669186677,6.909020078286302,1.369901872065705,4.7497263870375015,0.1062171829177103,3.6220653296124814,7.847415443991735,0.604988752659123,8.461975350885467,0.4774651604416983,24.23888603807621,3.6220653296124814,7.847415443991735,0.604988752659123,8.461975350885467,0.4774651604416983,24.23888603807621,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1533,3.433645417076097,4.088076037763195,4.765111998897485,5.447620242280779,6.122120337657457,6.778850907894894,7.411359705029961,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_34,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2156400740129546,0.889797628080365,2.093605692891835,3.719393312269592,5.142685331771508,6.0216569095684855,6.466385570474177,6.670560425183958,6.7465653325820005,3.1590749799045463,0.7011662279714219,0.0232425219959681,10.024333155125312,4.830928598753594,6.121232242430111,1.5964128637260755,1.7391670449475345,3.821133078884463,0.3420192653740971,4.475321167940311,0.1326432124252204,15.536220532219614,-1.6810256087934372,-3.705178705690539,-0.3420192653740971,-4.417179731786215,-0.1067702733366472,-15.536220532219614,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.434170950545038,10.221075591499686,10.985955340590037,11.723938816560494,12.43114559040175,13.104861792152905,13.74348877226837,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_35,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.215317841210076,0.8933817268764684,2.1399394608329465,3.861402980068749,5.3660147205891,6.288158795918607,6.752251807379159,6.9647350559145735,7.043738247057176,3.266960693082237,0.702577522073542,0.0230836193423883,10.957866849074628,5.177090734798575,6.627909935546245,1.6569624029027386,2.0241220749668862,4.454135225576019,0.4047752838147153,5.2623243454846085,0.1417806662076731,18.216116051128736,-2.0236307631802664,-4.453155377914373,-0.4047752838147153,-5.261833033697989,-0.1415620324626272,-18.216116051128736,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.479119998388583,10.261754212178616,11.021098394867922,11.753217790318132,12.454774073300769,13.123337234142316,13.757431481191654,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_36,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1022295435432132,0.7257331158504667,2.2144524107640744,4.218929233423106,5.885264618675133,6.887699020393795,7.38951857869269,7.618911363058078,7.704158179886009,3.5421697602447493,0.5230857913178103,0.003705297122999,12.833773500784824,5.837272585249725,7.91537772624732,1.7684658788102094,1.2510170539521623,2.752928080108539,0.2502034107904325,3.252644340275623,0.0875711937766512,11.25915348556946,-1.2510170539521623,-2.752928080108539,-0.2502034107904325,-3.252644340275623,-0.0875711937766512,-11.25915348556946,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.54651226752591,8.376198694746975,9.189276904365013,9.981657507294663,10.749763987084902,11.49046106112912,12.201158754015909,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_37,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1017026809921148,0.7235401936647571,2.208750807289266,4.209091069549925,5.871879115494067,6.872021929774586,7.372651633207867,7.601492116500407,7.686532445431645,3.5337075796884485,0.5213922300745295,0.003666931894218,12.87128664825075,5.789485923775399,7.949638510876947,1.7549136473930242,1.2734169681280758,2.802220256048174,0.2546833936256152,3.310884117132997,0.0891391877689652,11.460752713152685,-1.2734169681280758,-2.802220256048174,-0.2546833936256152,-3.310884117132997,-0.0891391877689652,-11.460752713152685,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.564779517074498,8.396212640431308,9.210701350922324,10.004229033036438,10.773251635527334,11.514649584825223,12.225844606989394,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_38,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2150970746650601,0.8912112869855662,2.124544273846241,3.8315223547782695,5.3330367623147135,6.2570761783415225,6.723077893624962,6.936634580364713,7.016067918242314,3.2407257991796405,0.7013941101902357,0.0230562281917274,10.837839361039192,5.102554869143188,6.570897703266871,1.6345131756577107,2.06145688249708,4.535170447877478,0.4111540278653232,5.350689105419665,0.1464345104637194,18.530364969791865,-2.050083396156152,-4.512487735393449,-0.4111540278653232,-5.339315619078738,-0.1413733090420066,-18.530364969791865,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.515555222668471,10.292724844797,11.047849501006356,11.776676015811177,12.475625867474992,13.142091256718398,13.774466360318367,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_39,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178257759921073,0.9129710422537438,2.1298234653782964,3.629248775951213,4.865747169863558,5.609982964236298,5.982595457428,6.152914483471196,6.2162050492248335,3.1264767713285035,0.7164814673085843,0.0233776568550319,9.168599273796191,4.78302291267819,5.590835439320872,1.6631886514579075,2.290170650450934,5.015384930816106,0.4345089709016265,5.766242417663945,0.2044216190101157,20.1410326702872,-2.054919058565331,-4.546210918539054,-0.4345089709016265,-5.530990825778343,-0.0997346606210224,-20.1410326702872,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.71887570695184,10.487157674172296,11.228846550674897,11.941242328499202,12.622307835277882,13.270661159429844,13.885550349110469,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_40,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1012047040430879,0.7248217854654903,2.226269288756296,4.255626561518947,5.916142503869495,6.894782503892598,7.378252480564384,7.597793915167317,7.679144862061196,3.5722816800958554,0.5216361992109267,0.0036200385453369,13.050762836552344,5.912722887185221,8.051401547921865,1.7853827971395977,1.2607195957071733,2.774279027772612,0.2521439191414346,3.2778709488386504,0.088250371699502,11.346476361364555,-1.2607195957071733,-2.774279027772612,-0.2521439191414346,-3.2778709488386504,-0.088250371699502,-11.346476361364555,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.70034430024032,8.485710371492193,9.262892249219348,10.027326949435754,10.774285309028553,11.49932946893174,12.198664205001114,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_41,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1017322966997768,0.7323902201744487,2.1804944983876737,3.9725118663076486,5.370805291391309,6.185310727807907,6.587450596656453,6.770225763244085,6.8379934288065005,3.383576193452165,0.5270212984881442,0.0036639841288672,10.783837088495751,5.251007959506336,6.650826420499207,1.732923439919796,0.5238516565302517,1.0939807906921897,0.0477563161279544,0.905902185553887,0.1435708944160474,3.574384605210347,0.0462884952507072,0.0430782210121655,-0.0477563161279544,-0.3357620337729282,0.1101414731264793,-3.574384605210347,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,8.126373768519864,8.866675826025439,9.60008400206253,10.323911042529687,11.03421397948612,11.726726892242468,12.397499246696814,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_42,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1041635719583489,0.734572645339744,2.1610604100541253,3.9551932523935545,5.422135373908644,6.310776505334292,6.758782985240424,6.964364457454907,7.040892787279447,3.35731054435762,0.5307875426202073,0.0038337601259311,10.844441106666244,5.175057814812544,6.790546657870265,1.7035445153023585,0.7460803839242476,1.6199436932476496,0.1280281273395276,1.7703054026404688,0.0919530320846757,6.29096446641179,-0.5342008894710293,-1.197381823484874,-0.1280281273395276,-1.558425908187251,0.0023333429470064,-6.29096446641179,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.8471473117025266,8.630903091334956,9.400586996464137,10.15356962688738,10.886804145508016,11.59716967366326,12.281820556735015,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_43,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1018058214366008,0.7308687835042778,2.1666820765039905,3.93808321148769,5.350546580140207,6.195559962681444,6.619720619951507,6.8140729837742064,6.886383935777572,3.3536068133008508,0.5261985934173244,0.0036878744233611,10.59511964267482,5.177693396139805,6.524347812293096,1.713587787695175,0.5665854272126941,1.2026500163753264,0.070494340126371,1.1305401482236626,0.1199536273727031,4.242813938590892,-0.1383579740510166,-0.348614595162335,-0.070494340126371,-0.7023126950619852,0.0706075892842434,-4.242813938590892,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.88174271540465,8.677657470956154,9.457157141295095,10.218087862097802,10.957711913764175,11.67312076127904,12.361631501199827,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_44,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1011770376988904,0.7247228106005856,2.2266206907869983,4.256279211314341,5.9164718342885285,6.894737781563771,7.377985656645774,7.597419474773408,7.6787295674925,3.5729231013499105,0.521533484263844,0.0036192396326988,13.054928902258768,5.914616867380034,8.051662034096008,1.7857067045489594,1.262903518476456,2.7790848633904024,0.2525807036952912,3.283549148038785,0.0884032462933518,11.366131666288103,-1.262903518476456,-2.7790848633904024,-0.2525807036952912,-3.283549148038785,-0.0884032462933518,-11.366131666288103,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.7196778149187155,8.504222253873948,9.280224713406197,10.043277132924182,10.78877350703224,11.512363307743604,12.210307654837417,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_45,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1572192679973385,0.7862630859750208,1.9313494197627303,3.5759786909345177,5.116739513086966,6.10339979942359,6.610801435762762,6.845386004643077,6.932960172360805,2.993577123556794,0.6069501952065978,0.009668676132619,9.077529198439557,4.333195799543205,5.357427730983758,1.2979161168721944,1.5633341977685415,3.180730475191082,0.0610032083795418,2.0513598648048768,0.5813027022953601,9.036735156433544,0.953302113973123,1.8383231531309063,-0.0610032083795418,0.4652764469367881,0.5386004564296808,-9.036735156433544,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,6.578072193469446,7.361083610944786,8.141797249770779,8.914499577894498,9.674002141888735,10.415580394779822,11.135101720485114,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_46,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216457825000913,0.8930736698481768,2.103116709898506,3.7214477521150657,5.115752637669433,5.967366313937491,6.395870438487329,6.592106514969955,6.665080787262826,3.166760373919752,0.7036285532290107,0.0233144212559111,10.002957646558311,4.851222700979233,6.097367685100124,1.610183174728942,1.6503462318360829,3.626233697466695,0.3247938332357624,4.248696897722183,0.1254156358500019,14.747607823895663,-1.5975921005215423,-3.521023495679541,-0.3247938332357624,-4.195942766407643,-0.1019400474150315,-14.747607823895663,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.491914390956964,10.268485519217675,11.024012461661597,11.753633607679216,12.453461429064443,13.12074970931508,13.753844433838564,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_47,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1559841066275722,0.7809863302363508,1.9122183167079967,3.541075740556712,5.082319982691831,6.07536255814019,6.587396698528687,6.824377497608279,6.912883612032234,2.9623293528599826,0.6029797848201437,0.0095721511813779,9.06702053589567,4.19270197620517,5.460316725891589,1.2741871871832886,1.3255061778125128,2.646959074315121,0.0033324881375898,1.3521660829132314,0.5836018338685872,6.694180651814359,1.2921812964366144,2.573625939953625,-0.0033324881375898,1.2655213913358958,0.5812690921722744,-6.694180651814359,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,6.581229838153221,7.396697435399189,8.204863258155944,9.00035726727508,9.778408067080733,10.534749776728423,11.265719506233657,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_48,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163771815760055,0.90982477233631,2.147494267997636,3.730837494552697,5.071270648031376,5.887720846444272,6.29844657694747,6.486548227100003,6.556499687982583,3.19370329151288,0.713356514263949,0.0231528482357303,9.90264243661506,4.99306478041769,6.017984393840893,1.6829530081239523,2.1600521471628547,4.753307072543514,0.4320104294325709,5.616135582623421,0.1512036503013996,19.44046932446569,-2.1600521471628547,-4.753307072543514,-0.4320104294325709,-5.616135582623421,-0.1512036503013996,-19.44046932446569,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.772783626535537,10.545500018495217,11.29017695583199,12.004534195861638,12.68680273533836,13.335772196399768,13.950806062768445,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_49,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1021051007523751,0.7341872578732189,2.18547794563253,3.982103964284321,5.385316695970632,6.203046387608939,6.606797494192307,6.79029909332918,6.858334423061942,3.391458568697028,0.5283702716755955,0.003685522867689,10.80621341141664,5.289151744739569,6.651604846969336,1.7407880664355904,0.5301147793585487,1.0874746338864645,0.02933067930742,0.7647602138179089,0.1809060531131416,3.237187482941143,0.2368079862843485,0.4420377837734472,-0.02933067930742,0.0021625518249884,0.1603745775979476,-3.237187482941143,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,8.098976595820764,8.838002923972047,9.571260271716472,10.295609403051948,11.006819143833583,11.70044318512017,12.372419727882862,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_50,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1020489199360545,0.7253019410845872,2.2151216726503904,4.221527957753563,5.8896656131910685,6.893361542306862,7.39587385245197,7.625597730986812,7.7109699390331965,3.544104262484313,0.5226449838334305,0.0036907425955243,12.859868399069292,5.845319296422335,7.930872108162941,1.7685959979892207,1.2520557889731432,2.755213870536428,0.2504111577946286,3.255345051330172,0.0876439052281199,11.268502100758289,-1.2520557889731432,-2.755213870536428,-0.2504111577946286,-3.255345051330172,-0.0876439052281199,-11.268502100758289,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.529646207243222,8.359661390187659,9.172977367209397,9.96560851573999,10.734025475870784,11.475106604460269,12.18625736025079,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_51,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1007564693601437,0.7226561281093157,2.219817684444271,4.2448228579215925,5.90289314643733,6.880421261903427,7.363413956775988,7.582752756533796,7.664030748367624,3.562746942109419,0.5200352855370358,0.0035889372930336,13.102350855903358,5.855447443070697,8.100646669684648,1.7700129350805471,1.2732459558691345,2.801843934679736,0.2546491911738268,3.3104394852597503,0.0891272169108393,11.45921360282221,-1.2732459558691345,-2.801843934679736,-0.2546491911738268,-3.3104394852597503,-0.0891272169108393,-11.45921360282221,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.729895609941331,8.516345328390798,9.29414390647486,10.05887587961631,10.80589746304934,11.530820685112522,12.2298821366432,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_52,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170962812259409,0.9123609253803396,2.1543655702212066,3.750115752332663,5.107521037292776,5.936337567500779,6.353695504243489,6.544909015832116,6.61602848471658,3.207736616353364,0.7153832345584757,0.0232198425414753,10.05140293644164,5.036759866397111,6.101341024460166,1.69033197521357,2.1102706635574195,4.643760329232607,0.4220541327114839,5.486703725249291,0.1477189464490192,18.99243597201677,-2.1102706635574195,-4.643760329232607,-0.4220541327114839,-5.486703725249291,-0.1477189464490192,-18.99243597201677,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.791292342328212,10.558732807794438,11.29819521891541,12.007605393966402,12.68533620356015,13.330259923995582,13.941774572848445,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_53,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.218308731102522,0.9158541682620428,2.1430400166164905,3.655739325102114,4.90536874810358,5.660412883955583,6.039516473621615,6.213063590849834,6.277596690351059,3.1485503409311466,0.7183835208065639,0.0234260070949963,9.287498303126458,4.832575341948123,5.659231572575674,1.6828969701162604,2.118537234228833,4.644910866956437,0.4071794976500352,5.375973215429116,0.1792875111380144,18.736276124144872,-1.95325774227152,-4.315285712171368,-0.4071794976500352,-5.210693723471802,-0.1057381372170099,-18.736276124144872,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.683967518501833,10.450722700518492,11.191205879343311,11.902652627543231,12.583020494425488,13.230932185610271,13.84563289168213,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_54,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2183418100985754,0.9154375845268804,2.141063596633439,3.656257324734902,4.917383943179902,5.684983603610702,6.072112151709163,6.249722594726907,6.315829180066796,3.147175835520005,0.7181643648704459,0.0234456620876561,9.304172440678457,4.8369545277094455,5.666449267413872,1.6801916562545052,2.1867201584244462,4.785969043503669,0.4121043399674825,5.483554878164306,0.2003948330598486,19.175687591471885,-1.93432324125038,-4.282601251737567,-0.4121043399674825,-5.231157960990239,-0.0880782049173888,-19.175687591471885,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.718398028942303,10.484853041039385,11.224682523304486,11.935213715467675,12.61447738186378,13.261157663619423,13.87455065722354,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_55,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167689124790117,0.91097136375881,2.1487686424811927,3.733838151056953,5.0783901819617485,5.898358180213358,6.3110955309092365,6.500167572391209,6.570487439614059,3.195730871966711,0.7143559956818727,0.0231896337189701,9.918436303429042,5.016268867964498,6.009963959125192,1.6850746852698593,2.1641101698902343,4.762236962572295,0.4328220339780469,5.626686441714609,0.1514877118923162,19.47699152901211,-2.1641101698902343,-4.762236962572295,-0.4328220339780469,-5.626686441714609,-0.1514877118923162,-19.47699152901211,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.826108404964636,10.59066766799032,11.327965410281791,12.03578736147364,12.712351075571949,13.356392828413403,13.967204477076764,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_56,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0512183701588245,0.3653906485702128,0.9289626926874978,1.586789438752345,2.19088919654637,2.59363200259045,2.806570015237858,2.9063680511800287,2.943842067493076,1.3610167474152082,0.2689587161735616,0.0016719194963637,3.0493728961150817,0.5058791627556217,2.112359110765795,0.0088941313708017,3.522697697403914,7.70058942268898,0.654792164839802,8.76103501612233,0.3398651662701125,30.709331783815607,-3.0252239509941066,-6.70845265653658,-0.654792164839802,-8.263561269712522,-0.1184893491177483,-30.709331783815607,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,17.7637190826191,18.27085239179242,18.73378635902408,19.1583710656082,19.548523834086406,19.90720802034165,20.23692323783444,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_57,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2181394505954406,0.9149806845524664,2.14056263116306,3.652392366162373,4.9046724999402,5.663836104593557,6.045869907203508,6.220963153420403,6.28610471405811,3.1451860249531416,0.7177386203842386,0.0234166191607873,9.263085799087714,4.830702827268942,5.635898367278344,1.6796532130939643,2.203576195435513,4.824961552811054,0.417318326150315,5.5421228046380335,0.1981195454369629,19.364247500183865,-1.969607066067636,-4.3583452196562265,-0.417318326150315,-5.308153675270156,-0.0940032828682572,-19.364247500183865,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.71520579878839,10.482824298853364,11.223744531898443,11.935243105552406,12.61533460582501,13.262703655617374,13.876655158746624,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_58,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1012634299753009,0.7289904690698851,2.163517102008974,3.932504341786679,5.341286185210303,6.183516319472681,6.606182339183821,6.79983611163297,6.871885509673452,3.349083648246595,0.5246254058779907,0.0036507849405911,10.551414807707102,5.1637982321918106,6.491356872761538,1.7085883650812492,0.6022698328126108,1.2778792762677222,0.0744342297338451,1.1977436706833722,0.1284458948506521,4.500033758739958,-0.1420724645258409,-0.3600846548250025,-0.0744342297338451,-0.7375463023966025,0.0763419340369605,-4.500033758739958,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.862527295584821,8.660325989842582,9.44228982772444,10.205955183871891,10.948357992194191,11.6664371124968,12.357415963879202,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_59,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2153729784066068,0.8921301876971823,2.127762045247765,3.838357972570288,5.3388496449664204,6.259125247177974,6.722174435376743,6.9341286430394975,7.012925107816565,3.2466530351641336,0.7021585803300276,0.0230586617269638,10.89633407495682,5.126394248259887,6.611892813289627,1.641227064754473,2.1961802221870763,4.83266593467295,0.4390974952271603,5.708960184004359,0.1539923953223231,19.76285101547859,-2.194794730084527,-4.829902778498231,-0.4390974952271603,-5.707574691901809,-0.1533758513366887,-19.76285101547859,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.494908564697877,10.275202544060498,11.032294791738854,11.762228131351568,12.461679451395671,13.12824719460336,13.760483618443672,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_60,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0514090128357,0.3663805068613993,0.9264588280718142,1.561185132940366,2.131746002275712,2.5100573496891445,2.709914093269857,2.8035784259601737,2.838750759391829,1.3456276061346215,0.2697943434672587,0.0016734445746439,2.844917781835608,0.4754951518936424,1.962858451696372,0.0077236984839627,3.4956056069122456,7.639543797682961,0.6479886281777352,8.679514632334126,0.3405658172426956,30.43780059811593,-2.9842806748651056,-6.619782919454752,-0.6479886281777352,-8.168189700286987,-0.1130262224817185,-30.43780059811593,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,17.77217461074365,18.27957744991635,18.74259292531564,19.167110217480744,19.55708847173069,19.91552640468847,20.24495070055371,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_61,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2150104537173747,0.8908889497476655,2.128972653529158,3.8483167561686815,5.364154531850238,6.298727004986287,6.770547370549202,6.9868832776142185,7.0673682975008765,3.252774002435378,0.7009849784063327,0.023096216982758,10.985754455070536,5.11050485133548,6.681706259222525,1.6387536972556664,1.9424316663963288,4.261327217706151,0.3757855150082266,4.948715786462142,0.1597842509059416,17.22786863214618,-1.815423483685936,-4.008028448517679,-0.3757855150082266,-4.821707603751748,-0.1032656095998167,-17.22786863214618,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.5000352988537,10.28019575646371,11.038116521134302,11.769544039339266,12.470875741918666,13.13948233284833,13.773747807515642,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_62,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.101756166083372,0.7324450190819004,2.1805104524938312,3.973488334045701,5.3742591347958815,6.1910844835980985,6.5946145813304335,6.778074487188663,6.846104342977323,3.3840160522462948,0.5270791465156657,0.003664831233388,10.796744978577197,5.252152930758314,6.66014331896708,1.7327813610058438,0.5464612500100243,1.1442371292776108,0.0527658658210091,0.9685881765780976,0.1442392578400687,3.787623566470305,0.018802591799933,-0.0169031863639221,-0.0527658658210091,-0.40332433476814,0.1073031517653623,-3.787623566470305,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,8.119901071645026,8.861513032563433,9.596321392174074,10.321537952966867,11.03315078934002,11.72685173403473,12.398668886322255,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_63,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016326124156276,0.7232181062556237,2.207903167072246,4.207612420704392,5.869855642470003,6.869657779357951,7.370113856708732,7.598874355694673,7.683884866824021,3.5324425228243355,0.5211495306580217,0.0036612107366768,12.873156922737875,5.783010335086713,7.952466589513678,1.753347610969527,1.2746483219465428,2.8049299141561086,0.2549296643893086,3.3140856370610114,0.0892253825362579,11.471834897518884,-1.2746483219465428,-2.8049299141561086,-0.2549296643893086,-3.3140856370610114,-0.0892253825362579,-11.471834897518884,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.560713422554208,8.392643714226052,9.20782660983757,10.002148581251737,10.771990351060811,11.5141796215131,12.226104846866928,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_64,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1556531390711339,0.779355287028346,1.9153490566924,3.5592690433767045,5.113198577513919,6.11411698940257,6.630394268615592,6.869411425566259,6.958691916543383,2.9752253143998844,0.6015684940972538,0.0095885760433353,9.05856205283413,4.281606217276121,5.362731513678948,1.276715753901863,1.551734860704939,3.1557028587019893,0.059165710570309,2.0250605452674115,0.5795863056943683,8.941988514930877,0.960077755001848,1.8537306314328408,-0.059165710570309,0.4867520704393753,0.5381703082951521,-8.941988514930877,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,6.590832806059017,7.395785332268489,8.19516436131258,8.98350865135063,9.75588404570798,10.507832597545086,11.235497181613663,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_65,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2151054609703113,0.8917495373553397,2.129661573604797,3.84049711450289,5.33991476009549,6.260291107069642,6.72381171833833,6.936094916824049,7.015033071875324,3.2491110625948783,0.7016274545563758,0.0230520226761389,10.870807770112007,5.1286971292291765,6.591967276162566,1.6427242498521757,2.02500243315938,4.456098885582237,0.4049769478577577,5.264818016021441,0.1417943055226282,18.22455112295205,-2.0247670454181965,-4.4556294400406085,-0.4049769478577577,-5.264582628280258,-0.1416895579778019,-18.22455112295205,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.464175671498426,10.249822786834004,11.011842846552405,11.746297130507196,12.449859813859756,13.120124157766826,13.755643562998236,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_66,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1007992939684576,0.7228361972918959,2.2204181914042964,4.245892285619854,5.904186715929657,6.881783794531535,7.364794516767502,7.584138134750131,7.665417387138969,3.5636822408763327,0.5201688889825408,0.0035926703977487,13.097343594920412,5.8618960383222944,8.094766361888787,1.7710904335878073,1.2763313041637805,2.808633404040214,0.255266260832756,3.318461390825828,0.0893431912914645,11.486981737474022,-1.2763313041637805,-2.808633404040214,-0.255266260832756,-3.318461390825828,-0.0893431912914645,-11.486981737474022,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.739980931626903,8.525305145467126,9.302075689169666,10.06587287483829,10.812051143367636,11.536220221158672,12.234612796085653,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_67,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1041096038528245,0.7344894505693338,2.1610535663975945,3.952120480818356,5.412916888647217,6.296654598441142,6.741960035372651,6.946262677759399,7.022309455874492,3.3558273396530414,0.5306897172757328,0.0038262718005895,10.818082502309872,5.17181195241148,6.7689978687912085,1.7037196819007,0.700145490047301,1.5209122151789611,0.1208301152298489,1.6667864118860922,0.0850082770150821,5.917329754833483,-0.5081556622511886,-1.1380173021137847,-0.1208301152298489,-1.47479658408998,0.0004271963541879,-5.917329754833483,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.876989428025646,8.660002964889626,9.428936462557743,10.18117839500006,10.913680264920902,11.623313853935336,12.307226886119684,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_68,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165861468420863,0.9109760528426236,2.154137539643609,3.745053075272398,5.089835618059789,5.908172808777372,6.319682399297367,6.50811167513742,6.578180326600736,3.205634061375175,0.7141021908247591,0.0231732141360029,9.96330319703882,5.030799370876322,6.042726577974834,1.6933058290209149,2.167987091856388,4.770768330958758,0.4335974183712776,5.6367664388266085,0.1517590964299469,19.51188382670749,-2.167987091856388,-4.770768330958758,-0.4335974183712776,-5.6367664388266085,-0.1517590964299469,-19.51188382670749,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.76446949087333,10.536289531250828,11.280025409448474,11.99348177807968,12.674945545913882,13.323238267728142,13.937736961401717,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_69,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168068204320057,0.9115758907198402,2.153561325283766,3.744762674377141,5.093117488389325,5.91485783633218,6.328365754980434,6.517767440584444,6.588206428076346,3.2047564497683867,0.7146769847965632,0.0231858927386012,9.96976512533959,5.042609373344009,6.033804038147702,1.692310997965766,2.1673923461136293,4.769459562025039,0.4334784692227258,5.635220099895435,0.1517174642279538,19.50653111502266,-2.1673923461136293,-4.769459562025039,-0.4334784692227258,-5.635220099895435,-0.1517174642279538,-19.50653111502266,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.792281944910014,10.56074170007169,11.30142223529566,12.012093827870585,12.691031240173244,13.337048736317715,13.9495142517652,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_70,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2185676498745265,0.916982266695535,2.147116310726449,3.665412807236493,4.92204305828539,5.682385767302394,6.064419339635706,6.239362611854523,6.304423245492622,3.1560335038515284,0.719203170527048,0.0234565651408624,9.348026175515502,4.851667867921467,5.697748080506675,1.689086579172557,2.0902990289390067,4.58204625641656,0.4008286903638693,5.296928551849961,0.1786292734456026,18.46806895197242,-1.9179878746996872,-4.238397505959374,-0.4008286903638693,-5.124617397610641,-0.1019508098091056,-18.46806895197242,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.67646588453268,10.44219767232033,11.181760697326414,11.892397170107518,12.57207181250679,13.219411854975602,13.833662697619706,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_71,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1555052611872997,0.7813769035002421,1.922616445338508,3.569749665078821,5.125895145199692,6.128143784436659,6.644994688688538,6.884239430802253,6.973597887504964,2.9848384886584727,0.60281202593279,0.0094742866118159,9.190243955275765,4.2927795475319614,5.507777083702795,1.2876584889882972,1.577201259069936,3.2024241987070683,0.055220480578212,2.018965103695632,0.5983161592019739,8.990415906913919,1.0249964532878155,1.9872688089336128,-0.055220480578212,0.5832326086621196,0.5596618227972256,-8.990415906913919,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,6.490512712258667,7.299792439094372,8.104750305620186,8.899318242494958,9.67814470303708,10.436493355087862,11.170327624565296,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_72,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.214624046028455,0.8890687927037098,2.1197984490414323,3.828863680279632,5.337902281366929,6.268963015064234,6.7391366400935935,6.954739000643288,7.03495412227543,3.236535697008158,0.6997595946722689,0.0230409083246186,10.894621965668932,5.064998000567396,6.640683837352239,1.6259909254660088,1.926704807932711,4.225788713583832,0.3717374030157121,4.900604032058408,0.160376008875596,17.068272099977797,-1.7906692222244105,-3.9544861432264815,-0.3717374030157121,-4.764568446350108,-0.0998401732354022,-17.068272099977797,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.492686751258397,10.275485476121103,11.035782003270027,11.76930254237197,12.472440623393734,13.142576051677889,13.778110961513788,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_73,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1558640136035268,0.7792636886530175,1.905674398589993,3.5249735709845105,5.059899069725708,6.051984827215486,6.564652111713017,6.802196464617698,6.890957481826444,2.949593432850214,0.6017529267190531,0.0096233704444125,8.904887735192753,4.169859705398358,5.315736804139887,1.267001765949161,1.2743627256338426,2.54470796526716,0.0030869374684109,1.2990582253811298,0.5613034051537896,6.433552377537431,1.2434933509497332,2.476778301067294,-0.0030869374684109,1.218797851202446,0.5591425489259019,-6.433552377537431,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,6.629880039133711,7.428718076746231,8.222197092343906,9.005082834749775,9.7725517416384,10.520181922584964,11.244106809640346,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_74,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2189115334451335,0.9015825820035772,2.130009192675076,3.776670052880223,5.196969427273071,6.065123122826534,6.5020481064594815,6.702148374812371,6.776559765439374,3.212090683789602,0.7101996109046005,0.0236261360946535,10.27087253336165,4.976102313383229,6.229363978175564,1.6469742195830392,1.7159175121041903,3.76976995777121,0.3371740987053641,4.413310301747104,0.131381857813807,15.323069534628232,-1.6558234749494505,-3.649921414771653,-0.3371740987053641,-4.353216264592363,-0.1046400112799476,-15.323069534628232,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.454066267312108,10.221549124085891,10.968740895546532,11.691056024899243,12.384742432593312,13.047084344538671,13.67638492976107,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_75,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2152903214792679,0.8909887973891664,2.122836424658186,3.833578243437104,5.34124676656455,6.268830095675058,6.736332917976574,6.950493773370126,7.030137147933983,3.240812391750943,0.7014208069829072,0.0231076077291064,10.920565221555082,5.103855922221012,6.637643357712757,1.6314341270686452,2.052299887106625,4.500813460458537,0.3955433803817997,5.216646930161023,0.1716296115465736,18.17236704316912,-1.903133916711372,-4.203324307400764,-0.3955433803817997,-5.067480959765769,-0.1052507547206858,-18.17236704316912,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.481079932263356,10.263760397518933,11.023406929273971,11.755956732162174,12.45797019587623,13.1269515845359,13.761389636998832,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_76,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217360546133714,0.9148138940302724,2.172859919035082,3.78795203781602,5.153292952430348,5.984096416508239,6.401864259582006,6.593156634369909,6.664289509326078,3.240262620742372,0.7167025776984169,0.0232692774272712,10.217724772046322,5.115167195300716,6.190994727278393,1.7189230910034086,2.091089017407374,4.601550119433832,0.4182178034814747,5.436831445259172,0.146376231218516,18.81980115666637,-2.091089017407374,-4.601550119433832,-0.4182178034814747,-5.436831445259172,-0.146376231218516,-18.81980115666637,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.737502501737184,10.50660185152988,11.247856390752624,11.959122799942218,12.638735615051075,13.285544532704945,13.89893239286286,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_77,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1541900974649774,0.7929905697826855,1.9841356451265704,3.592868963443184,5.039746929546656,5.956784714204114,6.427528035596776,6.645114981960601,6.726343911880203,3.0348991380189663,0.6076254289040195,0.0092177990393465,8.629048751965595,4.394522708402526,4.84694391296998,1.363766490024438,1.7837059843542098,3.697041393055288,0.1298997708286715,2.730937963949287,0.5366067524484668,11.259020014648453,0.5460190674236916,0.9734469726300014,-0.1176376125574321,-0.5238344948837791,0.4455542912856843,-10.915679583053752,20.0,43.8343,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.7199999999999998,-45.0,RSM1533,6.779925135903812,7.55465681137966,8.324552083255227,9.085407025124466,9.832951500728566,10.562999276816043,11.271709913035764,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_78,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1585595553514049,0.768892417512914,1.6399350923434577,2.6717426371016644,3.64512819063526,4.290347051805405,4.628996061746084,4.787076585026887,4.846330559311299,2.311182162115611,0.6025043380432731,0.0098375861720387,4.522516127660732,2.620408433969992,2.514904481248078,1.0878343022737993,1.1276096497793535,2.259156054061558,0.0099977197351181,1.2075914076602987,0.483040569648466,5.838002643599132,1.0276324524281726,2.039151032476022,-0.0099977197351181,0.9476506945472274,0.4760421658338834,-5.838002643599132,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,10.185463428623876,10.98651274243906,11.725842059769583,12.412684481274178,13.054287727062883,13.656199365149089,14.2226122412454,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_79,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171434363743589,0.9133942918903772,2.1644033984591857,3.770679711114542,5.131607464887996,5.960787722898632,6.377968614925464,6.569035824733959,6.640091447441907,3.2255343932113942,0.7158274408835928,0.0232457535254881,10.143208891470058,5.073532583908079,6.155657767841874,1.705489922297305,2.0910807147561266,4.601531849018024,0.4182161429512253,5.436809858365929,0.1463756500329286,18.819726432805137,-2.0910807147561266,-4.601531849018024,-0.4182161429512253,-5.436809858365929,-0.1463756500329286,-18.819726432805137,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.767576862586274,10.53444625802194,11.273935174227756,11.98379184953335,12.662256126100658,13.308100890826704,13.92065031485203,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_80,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1015210890389404,0.7298869498574374,2.16556946908778,3.940966506400757,5.362960072247407,6.216764142067653,6.646164031733402,6.843090963368286,6.916386799934266,3.3543548252152458,0.5253649182584024,0.0036692845399646,10.591603455660396,5.195285102025192,6.513555455623714,1.71121392854241,0.8374301944904688,1.7930036624808636,0.1191790129085044,1.7908622977585038,0.1491957873448128,6.5707312306224335,-0.3543599345945751,-0.8295924896574879,-0.1191790129085044,-1.3077920378626104,0.0657704783088598,-6.5707312306224335,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.8402296813830175,8.64091026481326,9.425733694280682,10.19213937748878,10.937091201500758,11.657484094696116,12.350521767138709,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_81,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217227823972705,0.9130628493621892,2.1581797317113534,3.758307522744328,5.118531052458818,5.948772348320305,6.366794224893937,6.558303228250518,6.629531427379246,3.2145686225209067,0.7158387984090412,0.0232410367280477,10.086897310901714,5.056933463354219,6.115978599607291,1.6963850702109486,2.111054013451344,4.645484131408381,0.4222108026902686,5.488740434973492,0.1477737809415938,18.999486121062088,-2.111054013451344,-4.645484131408381,-0.4222108026902686,-5.488740434973492,-0.1477737809415938,-18.999486121062088,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.804214848853318,10.568756628726424,11.305744752119072,12.013081368872664,12.68909733509015,13.332617751009526,13.942994507531008,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_82,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2164385101850658,0.8927356206034,2.101980339927169,3.7244649156663128,5.130463993557904,5.993197571272947,6.428419110580308,6.627977314626252,6.70222594136898,3.16732003292816,0.7034127019440292,0.0233293054821746,10.02356600058089,4.849474442538022,6.116056225201413,1.6084005470572698,1.6227176234757323,3.5661731754518886,0.3199835918885971,4.1825863585845084,0.122140107655581,14.513259955150604,-1.5771182954102392,-3.4752321555244725,-0.3199835918885971,-4.136987030519016,-0.1018484066664366,-14.513259955150604,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.478569693287447,10.256220351801575,11.01288318510765,11.743657128467165,12.4446178419341,13.112990318779444,13.74710083918962,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_83,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179218515401057,0.9134718847171868,2.1313390255161653,3.633066226364532,4.872739459406116,5.619433766050327,5.9934142185297175,6.164386461070335,6.227924034702107,3.129346476691439,0.7168638773919322,0.0233703564723998,9.196186876535176,4.789808829766066,5.609630590384736,1.6651883119596451,2.3237034705012767,5.092017723514241,0.4439721313275519,5.875480521121692,0.2016002981339082,20.497959979057423,-2.116017842774242,-4.677819891856829,-0.4439721313275519,-5.667794893394657,-0.1091801937953778,-20.497959979057423,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.72743597395326,10.495438500935409,11.236786950523118,11.94871367997572,12.629195387517722,13.276890293945383,13.891088320327722,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_84,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2152889873502683,0.891495874182574,2.1260262324522983,3.840392933576849,5.349501708411818,6.27709816966602,6.744364258033657,6.958363584473296,7.03793848835523,3.2465802476913583,0.7017112396922504,0.0230807622981917,10.919628903098122,5.114648090037004,6.620690758466249,1.634386076906402,2.070341891538549,4.542811525520815,0.4013784290461867,5.281369323908043,0.1687175872730543,18.379278038616484,-1.9434423989233176,-4.2897295224236265,-0.4013784290461867,-5.154469831292811,-0.1122473130592761,-18.379278038616484,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.496041933041145,10.274873531526843,11.03110144728052,11.760730364323733,12.460323803373472,13.127351329298657,13.760248251418316,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_85,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1548223667475175,0.7796435978837813,1.9152452562174127,3.535873977344771,5.055639483075795,6.032353595363086,6.535854362502697,6.768916757582359,6.855968075033042,2.9624166840108783,0.6013260653743643,0.0093919419248759,8.921644610597628,4.230348704635477,5.3150695961065,1.278090614266765,1.5665050715225746,3.179477119929145,0.0536539224043407,1.9957364507573008,0.5964936523194068,8.905603805699686,1.0299658474791669,1.9987946573819768,-0.0536539224043407,0.6007344682444409,0.5589359066363683,-8.905603805699686,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,6.611644169332306,7.403574676481427,8.194327691544947,8.977464226875453,9.747187102960297,10.498310658172024,11.226391220616508,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_86,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1543096904372926,0.7928061805863544,1.9832618930079755,3.594687269889994,5.048930326643032,5.972613364851322,6.447232043424809,6.6667013805455655,6.748646729370731,3.035115446824076,0.6075764480210166,0.0092462391627083,8.65362468198123,4.39742437921938,4.868649681531892,1.3614459479026242,1.77265458010911,3.672068500399335,0.1273541809409691,2.7044229052128625,0.5371855824729593,11.16657417657773,0.5571561856487518,0.9973010774728052,-0.1157454979511024,-0.4906989693536678,0.4479215689843823,-10.841531052861464,20.0,43.8343,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.7199999999999998,-45.0,RSM1533,6.798976603359229,7.567951800949356,8.33331976168826,9.090613053367536,9.835360413272976,10.563219972909597,11.270229089107035,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_87,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1546766228497571,0.7837351820610559,1.914758566158682,3.42168623152556,4.774664735193185,5.632983567829216,6.074061457573887,6.278066203258499,6.354246930392457,2.8997209915830107,0.6033810773384645,0.0093385250253566,7.650529925490863,4.040048446665973,4.278129739587432,1.2699035328451869,1.6613901029975744,3.419569799424461,0.1013495784845294,2.445389354389983,0.5453310569146494,10.258909430523746,0.6657592358081639,1.2286323033690696,-0.0977765949533525,-0.1539698508960141,0.474350622140167,-10.158865891650793,20.0,43.8343,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.7199999999999998,-45.0,RSM1533,6.514351630038416,7.262258159476435,8.006819006425687,8.742294922813949,9.463919185214497,10.167697530004618,10.850349985124996,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_88,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1050176764056034,0.7398660734030045,2.175569162141468,3.955883936507395,5.386458233481141,6.244684610919476,6.675590340008109,6.872997876506511,6.946435749896688,3.3665713755157403,0.5344152536842912,0.0039065902642179,10.713854598298882,5.214509021005053,6.620049385980341,1.7266938581020297,0.8249941789301903,1.7868577651892203,0.1372737649875315,1.9231842988304424,0.1097341002723131,6.870446194401582,-0.5477434709451245,-1.2339228157192044,-0.1372737649875315,-1.6459335908453767,0.0136424647810411,-6.870446194401582,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.845840882856901,8.62101355888275,9.38315686700162,10.129668070881664,10.857462480285054,11.563346541517022,12.244384845915729,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_89,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174447502508658,0.91203583884774,2.128411961331245,3.6250059679181694,4.85545602680273,5.594100317522621,5.963330685871054,6.131972217806451,6.194618296370525,3.1236533748455235,0.7156539691234436,0.0233221547983406,9.133041970831458,4.769572672592446,5.572990299746236,1.661299197699571,2.0165636866590155,4.412868984719862,0.3793709044834231,5.0515309225264,0.1860503946568435,17.67023652296354,-1.777145358175215,-3.935385041308194,-0.3793709044834231,-4.8121125940426,-0.0795092384815523,-17.67023652296354,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.696039876839,10.46821919641552,11.213599566355777,11.929351701327594,12.61338982987881,13.264327361979094,13.881431245697312,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_90,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1559474934221541,0.7800372621994449,1.9102301305406408,3.534938225207569,5.070866269672511,6.061699056159801,6.573252444113096,6.81018728654086,6.898706402568087,2.9581027149783483,0.6022595448066345,0.0096176846460154,8.949831993471449,4.195253320012022,5.336185317713209,1.2725877333419262,1.3102857988027692,2.6233524418943976,0.0098776530315851,1.3893070230554505,0.5645565810330103,6.74898205464555,1.211509268486918,2.4059895505547897,-0.0098776530315851,1.1324880442342369,0.5576422239109007,-6.74898205464555,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,6.599728342802911,7.408597457586977,8.209929491295439,8.998803017327702,9.770725324201022,10.52158534714709,11.247788028244296,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_91,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177170657343146,0.9129832475949368,2.131749274002214,3.632943279740164,4.868763264994436,5.611326916069104,5.982696223833695,6.152352084634364,6.215380741973104,3.1298294963066264,0.7163702296045154,0.0233651522175995,9.181672878535482,4.785841356259745,5.60208858366858,1.6662135762001102,1.9803672133337151,4.332644144003408,0.3715762137043409,4.952976922968442,0.1845580092378638,17.333360340755398,-1.7353949237096946,-3.8440836581917415,-0.3715762137043409,-4.708004633344422,-0.0755453403551746,-17.333360340755398,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,9.692501114829724,10.463200666539496,11.207133496396876,11.921559102700094,12.604438668517448,13.254404992885824,13.870726540181936,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_92,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1021648484058238,0.7344146244747843,2.1857633561185508,3.984090211232053,5.392786752410227,6.216352318323452,6.623819043725185,6.809200681736296,6.8779639409653495,3.392438015609892,0.5285669131289213,0.0036874378687655,10.826310099817524,5.294099670272704,6.669551076645202,1.7413450576981415,0.523549421010134,1.073692626996256,0.0286629995874871,0.7528534177100312,0.1792363681229712,3.191007096800413,0.2369194251352625,0.4429484163138157,-0.0286629995874871,0.0076154284353653,0.1591722684117303,-3.191007096800413,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,8.088748108275873,8.831569026190584,9.56779631441581,10.294501257739968,11.00759453475663,11.702728011900955,12.37591081571719,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_93,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1531953414958754,0.7893095841998726,1.975097299640617,3.5789404026639464,5.025309044918864,5.944255714046395,6.416651635667083,6.635153129180664,6.716747535402646,3.022229758219093,0.6047369101714558,0.0091233496274745,8.510411378850458,4.340722893317776,4.765227295284273,1.3510977813429783,1.7297604576770391,3.571781936965845,0.1130533608210578,2.547064646436313,0.5449032337503087,10.665925950940624,0.6573086480059199,1.2117959622904444,-0.1014370011131659,-0.2761591378322728,0.4656497175784894,-10.340667879119652,20.0,43.8343,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.7199999999999998,-45.0,RSM1533,6.844233779660991,7.612420010040674,8.377270591442997,9.134283411114346,9.8789049464036,10.606702304103166,11.313634697430274,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_94,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1558365937947469,0.7808793166128435,1.91425491377247,3.547986555578317,5.09264514767217,6.0871328233957325,6.599714391283237,6.836908016198668,6.925487412359542,2.96758306876178,0.6027971821245631,0.0095484167236693,9.106056487040435,4.212061167051714,5.477303501870244,1.277158840520826,1.3129423555981137,2.6191580666639545,0.0006706819302008,1.3183078110397208,0.5830018196220341,6.578125416594586,1.3062355362961051,2.6043993620352808,-0.0006706819302008,1.3008700808544982,0.5825323422708936,-6.578125416594586,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,6.649230618157195,7.455257602737218,8.255923890454321,9.045352997207798,9.818427212930246,10.570635078663033,11.298133715069229,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_95,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1029780457799699,0.7300996179414351,2.152119033449439,3.939310098704493,5.398919751203795,6.283319600019484,6.7294269430371925,6.934208266780991,7.010451332626555,3.3440977500251434,0.5271620091628304,0.0037492786101644,10.756595585877754,5.127133716707508,6.721734802475575,1.6883557511653895,0.6330239625244586,1.381071683759025,0.1150331656321192,1.5532892875814124,0.0660084777631604,5.465783125264677,-0.5173076937967338,-1.1502929432218871,-0.1150331656321192,-1.4375730188536875,-0.0145147381793229,-5.465783125264677,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.908296512980415,8.68876129863606,9.456123831488313,10.207571941809691,10.93982364907612,11.649539672233864,12.33370071718786,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_96,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1592052845879165,0.7710336235797678,1.6500654586886394,2.7105813347363825,3.723016460181559,4.396722038134778,4.750679016411443,4.915949375572243,4.977903133400569,2.337902947856306,0.6042058819320808,0.009888045863312,4.835696171457872,2.698796337930713,2.721463331283378,1.095917666835486,1.1229216794633552,2.2483466626913184,0.0085343417129207,1.1904195587344135,0.4835835411449625,5.7831200391647295,1.038096165289019,2.061683707823955,-0.0084307611219464,0.969562480108217,0.4776084661400082,-5.780219782617448,20.0,43.8343,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.7199999999999998,-45.0,RSM1533,10.200959323597823,11.003494082939453,11.742976906074912,12.42893213381302,13.068998987136302,13.669056638417674,14.2335331435116,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_97,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1042982569244851,0.740353731858219,2.185367434659736,3.9681613515801866,5.395134531523783,6.251637202762191,6.6822876921255006,6.8797608618124455,6.953255380601348,3.3793205202213144,0.5338932051675077,0.0038475781330914,10.742977917221092,5.27773932683518,6.605813788173188,1.7415259853924696,0.777996007297502,1.6622521840219735,0.1073276174510438,1.6366169469058525,0.1449689405266812,6.036532385508388,-0.2952801672129362,-0.6995478483493202,-0.1073276174510438,-1.153901106821287,0.0698396083109505,-6.036532385508388,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1533,7.838556395793616,8.62610413417058,9.398042786323373,10.152352402189331,10.886377074291886,11.597234566784705,12.28221798614764,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_98,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0129207833028549,0.2669827216934666,1.4258824419692795,3.752916995752779,6.04737124875172,7.506474584792585,8.24986708717401,8.591770313139065,8.719111177501564,2.8971798998880223,0.1633384697155858,6.442825811435195e-05,12.432170867540274,4.200085429717811,7.020671300637454,0.6056181562733784,8.49624683491672,18.79618437111312,0.9382081401955552,3.805206133938945,0.778563792912164,31.22273649223694,8.391499688603274,18.58728189986289,0.9382081401955552,-3.805206133938945,-0.778563792912164,31.22273649223694,18.0,39.8456,2.0,0.0,0.0,66.0,-2.0,-3.9887,0.0,-8.0,-1.61,0.0,RSM1533,12.432459016790856,13.758907776440097,14.922015152626164,15.936664648251988,16.820164839279776,17.58968801745919,18.26105896334022,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_99,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0666736151402428,0.3789488935655931,1.272340174532256,2.7520227215527395,4.152799152649187,5.05304023331302,5.517389873974111,5.732430125133356,5.8127687385428,2.223949812726464,0.2757940286308502,0.0044447373783128,7.60448880705253,2.183035761392901,4.578744008972139,0.2100822315122867,5.252541781535616,11.273939477964396,0.6843024682712306,9.444254294928609,0.9235764968186893,25.07867146203792,-3.4764856130753583,-7.3423826076310625,-0.4869628939978687,-9.444254294928609,-0.9235764968186893,-15.915616217380569,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,14.120251157428337,15.029263280424027,15.829944042792816,16.539895199664933,17.173060452595433,17.740542153993506,18.251275030970287,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_100,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0643242325835092,0.3855208698485309,1.364140994544199,3.112408161593579,4.828529819749334,5.943579120592594,6.5205401326740144,6.78800165155867,6.887960065749634,2.477058596506806,0.2779288479626647,0.0040500812994499,9.007261814033908,2.692781648918192,5.4057460471400445,0.3336648296092634,3.380330451861928,7.24752633010845,0.3476858469343999,4.127682022946111,0.6450107691674731,15.023988993717929,-0.5638355534743654,-1.0128080454867057,-0.034741969335782,-4.127682022946111,-0.6450107691674731,1.6390154242615569,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.21150164443276,14.190267666980269,15.063110560006743,15.84339990970794,16.542761151611604,17.171184023589284,17.73722688397054,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_101,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681977250355507,0.408170147851513,1.4697906488254855,3.2921995706201126,5.0097247955593085,6.10281653059244,6.663367733499277,6.922240989531437,7.018842298211241,2.640747920168316,0.292819405501178,0.0044941097084904,9.50778281598674,3.049794724765697,5.90064523993445,0.6613349525272879,3.924051011189743,8.428664792914208,0.4265520698446134,5.089157122875831,0.717364773453952,17.54581464326796,-0.8123903921686094,-1.5405545506215137,-0.0808120010644874,-5.089157122875831,-0.717364773453952,-0.2119278385505719,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,12.695713424444422,13.677322611781946,14.561223274655015,15.357642585120498,16.07607356372387,16.72508278350711,17.312287099881928,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_102,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0600455033060337,0.4723887421709247,1.534882413065111,3.112212977113076,4.532677406803004,5.4254440551763965,5.881730517207839,6.092246945655502,6.170779006303128,2.561835954807104,0.3344564101533506,0.0021793649517435,7.280346168162901,3.029941050880589,4.182788193857131,0.8842453570345847,2.860767114779778,6.105259635755145,0.2026323343248136,1.8481097302631768,0.6246692947312438,11.87271305779264,0.7859166593796056,1.967201641558476,0.2025547516928957,-1.8481097302631768,-0.6246692947312438,11.869997665675516,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,14.589777309408872,15.547375498317848,16.391535346765647,17.138004913928583,17.79984289059979,18.38803454105663,18.91193668108276,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_103,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0640363724438582,0.3815568299539252,1.3194662010161062,2.9628351222997025,4.602657197653698,5.688347674716932,6.256121836358853,6.520641862168221,6.619709001545819,2.364309720263205,0.2756154853405694,0.0040339765778809,8.37356725152525,2.4438838845557984,5.059988532414563,0.2756654792152618,4.065641546497302,8.733236693967104,0.468103457669719,5.847931348612903,0.7314886078685874,18.51663432395529,-1.3482814337004767,-2.7179675767194853,-0.1661745562478496,-5.847931348612903,-0.7314886078685874,-3.6830961631596137,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.787225484430838,14.71526252496076,15.541313627926977,16.27906347404578,16.940088130928086,17.534134070493828,18.06942713285843,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_104,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0674455793346159,0.3931812283535398,1.3322233145111555,2.912939883718016,4.424627403314182,5.398339597490557,5.900597104189058,6.133142288534415,6.220009435346804,2.3459269115915573,0.2851933514007025,0.0044185533090212,7.951788832427693,2.40573446975532,5.019104587200003,0.4491310798310474,4.449060840454059,9.552078316152109,0.4629931977884017,5.370754706486113,0.8281441724515266,19.67707184878553,-0.5967123102269141,-1.0243483941510725,-0.034954472207608,-5.370754706486113,-0.8281441724515266,2.2489033989251825,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.447652004706375,14.307136510159218,15.095626578303394,15.817115796352407,16.47618847439498,17.07764815123198,17.62627504312023,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_105,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0670073971098432,0.4061821350245935,1.4861910805920786,3.38153593916443,5.150894636512192,6.259424272689509,6.822425453638155,7.081214782003156,7.177591942294421,2.7037176648188206,0.2910553526997869,0.0043041674106005,9.942737854960102,3.285447537003753,6.097228855078919,0.6943809763221857,4.171536370256835,8.955022716147258,0.4363863990639892,5.103002050648063,0.7772242785531653,18.494950609326622,-0.6274395073205018,-1.1096523849352575,-0.0425978587377298,-5.103002050648063,-0.7772242785531653,1.7305015862664586,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,12.565519689354284,13.568362813221546,14.4714895390905,15.28501338839968,16.01843893115802,16.68042879989397,17.278749466186568,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_106,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0673112293275813,0.3972861956007613,1.3776472656587369,3.073279291663652,4.733316128282947,5.816555587407828,6.378599248470303,6.639482466778877,6.737035088816164,2.4594927812161944,0.2868077274492779,0.004409944988483,8.57022326554295,2.6357962533653576,5.385097117404548,0.5122345104910506,5.051247460799301,10.896639404849708,0.5673825856414548,6.312079073144364,0.8498355780208677,22.23017969834736,-0.5121610523255823,-0.8487159938785743,-0.0630396513665971,-6.312079073144364,-0.8498355780208677,0.1654014030655385,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,12.88773666840448,13.800272490706393,14.63006457663751,15.385279769474744,16.073071571344855,16.699803122451524,17.271195546706174,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_107,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0624931140685734,0.3556861033622462,1.2227857143259486,2.74519343248556,4.258835424691688,5.259184451356742,5.782032923499502,6.025581245383272,6.116789231053141,2.191419311819009,0.2587010467987581,0.0039857932614624,7.226662220882618,2.020839416174939,4.462971423348798,0.2118004399844228,4.32082818604052,9.282420159038276,0.5027208880459209,6.317155414618792,0.7737278134388107,19.734504121781896,-1.5163729734094664,-3.0743534579042824,-0.1911147533091371,-6.317155414618792,-0.7737278134388107,-4.549743325645128,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,12.80629780453036,13.562838811821464,14.24301536267734,14.859851321337352,15.42310781656442,15.940284182106089,16.417278711861297,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_108,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0132024854763617,0.2708504894328838,1.456281176348451,3.8464642644441343,6.202012455463234,7.697981437800816,8.459436403238847,8.809473539839178,8.939815307196795,2.967339540623668,0.1656630529708656,6.74802024301387e-05,13.07542320720313,4.406729464795931,7.402368233764813,0.6354765818299781,8.460499510448438,18.71582563327899,0.9336145895250676,3.792426562823099,0.777355595669338,31.09912247794137,8.344563101002782,18.48460785510104,0.9336145895250676,-3.792426562823099,-0.777355595669338,31.09912247794137,18.0,39.8456,2.0,0.0,0.0,66.0,-2.0,-3.9887,0.0,-8.0,-1.61,0.0,RSM1533,11.849205840221972,13.20020244787534,14.397028572714174,15.449712562401183,16.372405812239013,17.180336767248814,17.88820751818004,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_109,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671432254732332,0.394485193648432,1.3630072844809862,3.068501514370324,4.751452371264426,5.849855748463939,6.419178310743108,6.68325676720333,6.781971730059509,2.448274018816366,0.2855225957123631,0.0043761446132386,8.77184108297811,2.6245599236330093,5.497819101650609,0.4851408863570314,3.9229352065952514,8.398313921871685,0.3851708239815873,4.5564844156215605,0.7740217925659514,17.355152294982666,-0.5336495996048658,-0.8956406673219021,-0.008583534315989,-4.5564844156215605,-0.7740217925659514,3.573749754567489,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.885108523792333,14.749945643032238,15.524656695036038,16.220738033157094,16.84799233010478,17.414761442568047,17.928158786273062,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_110,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669637332415788,0.349246710019436,1.1369383476668136,2.4943386756178394,3.8094045157578535,4.663381695965973,5.105860045677328,5.311168239497408,5.387931309567657,2.004834495725292,0.259019072098676,0.0046158341772084,6.5359414676524334,1.703102516886184,4.090149235422747,0.1416224616360987,5.2958131405569215,11.34662822795561,0.6756714455071766,9.483444567662495,0.9656370655710134,25.35499788405983,-3.60971141246976,-7.614198504807287,-0.4883268090530475,-9.483444567662495,-0.9656370655710134,-15.384941025548017,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.2156114785843,13.967761940699193,14.640486554632416,15.247873590245248,15.800517302603533,16.30651777975024,16.77217499172434,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_111,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0680945781637748,0.3981627899827237,1.3902776834425514,3.1012146231467264,4.73342242600808,5.779334586431436,6.3173925703615055,6.566224940912173,6.65913275700534,2.486754623931817,0.2878638450703951,0.0045098806079884,8.749125293348817,2.8493274249510723,5.39487686280879,0.524589750486273,5.603935645049031,12.083581009789842,0.6345322224062958,7.188810114635619,0.9481509153962064,24.796862862478594,-0.769712600899184,-1.3823300249022208,-0.0973963286118683,-7.188810114635619,-0.9481509153962064,-0.8206364231571519,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.510964478519618,14.390070924691152,15.183015083553531,15.900483497250685,16.551231387617168,17.14257668845881,17.6807573206194,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_112,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681037252987427,0.4090971424029799,1.474749157473778,3.2967734650628144,5.004718748456895,6.0872375163881856,6.641120848558927,6.896645203532686,6.991954422787823,2.646599303853709,0.2932390765604371,0.0044784972356795,9.509664622576729,3.071912098521283,5.887700086584323,0.6638527078602134,3.9562842380319343,8.4960022418106,0.4329111131887527,5.220574476524429,0.7247094384031285,17.751576266758875,-0.9115168529307448,-1.7559698351557147,-0.0946036259552872,-5.220574476524429,-0.7247094384031285,-0.7114396032825183,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.670664403715792,14.562563155328096,15.367549234164931,16.094299079212828,16.751002260187178,17.345130123660628,17.88337765130374,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_113,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0684666176746744,0.3976688640659013,1.3989839929661496,3.166115636512405,4.864697993747895,5.951465340649214,6.509263063951467,6.766878496051146,6.863006835545187,2.528262129489768,0.2877498972559419,0.0045739919748175,9.131111599840272,2.869991169411784,5.69312326581278,0.5538401581788831,4.233942419301764,9.090422568107996,0.4530621159240294,5.385042168077577,0.7825166583342867,18.886576239324427,-0.8092386335251808,-1.509346058855807,-0.0725394730599646,-5.385042168077577,-0.7825166583342867,0.4905206248846359,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.59856109630848,14.531981695798676,15.36436411625327,16.108827014180232,16.77664546094042,17.37741500869116,17.91928846143577,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_114,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0672651277761008,0.3935607336246782,1.3508227918622686,2.9783971804570104,4.514022456931556,5.489652671051272,5.989190790341724,6.219696541412482,6.3056809938211735,2.39600713554721,0.2851312327092689,0.0043974917175356,8.143626788696368,2.5444366336686204,5.121119391183289,0.482106007174469,5.209901178018627,11.268546760965734,0.5903046631778823,6.214679180402992,0.8326695056423536,22.61782037959587,-0.0623729122727424,0.1262505871233845,-0.0183570780950063,-6.214679180402992,-0.8326695056423536,1.314659435044766,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,12.551263431252517,13.517201576736852,14.390028069729926,15.180055957603598,15.8961892056877,16.54616918160765,17.136785650777114,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_115,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664871017644292,0.3784558880491862,1.2694579557645178,2.748987318915507,4.152058234183159,5.053950934378518,5.519088092145793,5.734469304461483,5.814930940457329,2.220475596057629,0.2754733935897659,0.0044162095740469,7.597388721646722,2.1790735041246228,4.578326676891669,0.2090452854434363,5.316037215012131,11.41043026089681,0.6927701112506868,9.559928486098048,0.934368967849327,25.38178334990412,-3.518433127277335,-7.431173958772054,-0.4930363237245981,-9.559928486098048,-0.934368967849327,-16.121441874230847,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.502216061022786,14.469929434122886,15.323273320528472,16.08008754978273,16.754805523750605,17.359097441615287,17.902461144160775,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_116,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0805669237434092,0.3946817388320084,1.2205174688751248,2.6243193341987103,3.977520388092653,4.8527678071951525,5.3053163751318815,5.515097682791366,5.593502383423765,2.1188866976055545,0.2963655309677591,0.0064687633726386,6.770012585072613,2.079921778120549,4.382978034395686,0.4328286964596317,4.141708821385858,8.779519032739193,0.4333638540330715,6.606015786212475,0.9283147281004446,19.78306361390964,-2.753488081856381,-5.706491905017209,-0.2791171051964631,-6.606015786212475,-0.9283147281004446,-5.153769959124072,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,14.399802608459808,15.201683543062442,15.91997040615962,16.565967706341628,17.149041351712473,17.67700878792533,18.156448109854868,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_117,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0660887111816397,0.3813128353076966,1.2893809865125776,2.782190075242524,4.19428978409142,5.1040318893578265,5.574130207204889,5.792032652732701,5.873473004908668,2.250193143269627,0.2765427100539757,0.0043554183846268,7.614732109032504,2.218162294334369,4.585781554832764,0.2243432976019519,5.2027021461592025,11.159795345668543,0.6625881912225703,9.11532049232114,0.9313714797066271,24.73219948437882,-3.280735276533414,-6.90524406231514,-0.4490363168197049,-9.11532049232114,-0.9313714797066271,-14.174658297100818,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,14.021260168353354,14.93944679757655,15.749463611564934,16.468467670167886,17.110127138330732,17.68539547314139,18.20314730501102,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_118,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0678373933491336,0.3938659395687031,1.3314927700788834,2.917714536361926,4.444551735595394,5.431935570708293,5.942200353267833,6.1786466555427415,6.267000690361954,2.347383262350528,0.2859514878335052,0.0044686470601119,8.035136617329158,2.4128563070643976,5.075155605185642,0.4464766230056995,4.4861760103855,9.633599607690536,0.4672692711310208,5.399436824661449,0.8322966185529459,19.82328618598392,-0.5747852114701207,-0.9751710956203926,-0.0326702934737565,-5.399436824661449,-0.8322966185529459,2.325401424816708,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,12.899555634306466,13.81888511431571,14.654192679868297,15.4135989011177,16.104376413890467,16.7330706653,17.30559535819864,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_119,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0672461801521822,0.3933863807160952,1.3482918471518253,2.9754045833787344,4.513065085995795,5.490697434447526,5.991418644131839,6.2225017291528095,6.3087063258541045,2.392761393988327,0.2851455487635872,0.0043872600039527,8.160462541243632,2.541752529584897,5.133977420242164,0.4792471676207855,5.2434880904048935,11.34237496201821,0.5946785962324066,6.251061324291457,0.8361330180510446,22.756035341895828,-0.0513804252119382,0.1511053259935905,-0.0177777445443005,-6.251061324291457,-0.8361330180510446,1.3200634147110757,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,12.783460296708553,13.740920054765056,14.606463496435246,15.389464179983056,16.098396493943785,16.740874128767306,17.32371689170902,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_120,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0591010826765126,0.4590803541058981,1.4566411793772214,2.939978590532528,4.290439985194695,5.1426635277707975,5.578658267274556,5.779856693274358,5.854916452724827,2.420007494392136,0.3266259224709836,0.0021273635520238,6.417003471797925,2.642436726450448,3.680756463987573,0.7455305497017168,2.927651949705359,6.261073967432326,0.2140066651330114,1.8584868137312005,0.6180722777578974,12.07098117279918,0.9232659138860636,2.263488967318696,0.2138730974882577,-1.8584868137312005,-0.6180722777578974,12.066306305232803,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,14.922161185770614,15.85815255848702,16.676123238720876,17.39413600681364,18.02686144120138,18.58640478264958,19.082879135802084,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_121,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0672352613033378,0.3911225213802066,1.3691412723783922,3.1102075173166983,4.826104871628852,5.94315338108962,6.52126331074347,6.789223783292704,6.889359138840045,2.47678341115183,0.2830754657596015,0.0044352989086384,9.110980479266866,2.693794636836129,5.734386765126659,0.498458834440132,3.858108891817819,8.254170028552247,0.382467435082547,4.63649331769375,0.7672092893415081,17.18467825467268,-0.6993095851932049,-1.2617114923277073,-0.0314897343464789,-4.63649331769375,-0.7672092893415081,2.696177324656772,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.154698552823994,14.116359545380282,14.97828793060827,15.75200170221056,16.44783365033511,17.074872509355917,17.641043340266656,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_122,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0643154211119681,0.3858651237996012,1.3545418915702958,3.069257463459423,4.743275024638296,5.827316574134249,6.387257884491276,6.646619916294791,6.743518327994545,2.447425814501819,0.2783222957840374,0.0040416920667908,8.796323314245464,2.619403847664528,5.265367503136712,0.3077411819148856,3.424362834722024,7.355025829829336,0.3607631995118131,4.190819919246545,0.6313693640720183,15.16521554754552,-0.4894648956251227,-0.8582053119360327,-0.0346634285010462,-4.190819919246545,-0.6313693640720183,1.3252835670954428,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.776048376416338,14.71315684724696,15.544955283049994,16.286297173845085,16.94951214724497,17.544832307567756,18.080798096024,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_123,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0684696533686461,0.3995924684827894,1.4087723941853736,3.1861891093613224,4.892882353615316,5.984847402681326,6.545413984866556,6.8043387980097005,6.900961107958239,2.5450089824454505,0.2888497500588224,0.0045615704899486,9.215241003716788,2.911670651412136,5.734539091144891,0.5623835575231158,4.270484474183509,9.169760693362788,0.4559092598343676,5.395747295315839,0.788484581418841,19.02441197933976,-0.7784688868168176,-1.4396797884751065,-0.0679075279047351,-5.395747295315839,-0.788484581418841,0.690824408471156,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.082572779226608,14.06430593005515,14.939737730614617,15.72238189324594,16.424021879305457,17.05477236899291,17.62327072128999,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_124,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0805931770607011,0.3937861838762299,1.2182782459582078,2.6209863072478026,3.970453794721559,4.841617160663863,5.291578202110606,5.5000572102759415,5.577959039503825,2.116167495837782,0.2958131335763652,0.0064822384140879,6.694539543605629,2.0631645256078417,4.345397423626074,0.4393297183405184,4.163280845652455,8.830327210125779,0.4367890690237075,6.596314385620345,0.925511649496364,19.836762063134486,-2.693817597960772,-5.577458055557793,-0.2735153748357428,-6.596314385620345,-0.925511649496364,-5.02389347194628,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.674158905384976,14.567143999736464,15.360786534753457,16.06965419269062,16.705646129879145,17.278538667960415,17.79642817671439,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_125,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0673857833852247,0.3977094939063831,1.3748106611867204,3.062905963651791,4.715134311704162,5.793156017429029,6.3524700144920665,6.612082767479024,6.709159885662755,2.451919609809093,0.2872785394439947,0.0044070986729737,8.542197695867712,2.616696213553072,5.370768502544701,0.5058156775369937,4.995676698013381,10.778225377178943,0.5568067142890384,6.126151552995895,0.8402733883538556,21.910095312224016,-0.3932444312490515,-0.590076758924236,-0.0454253513152239,-6.126151552995895,-0.8402733883538556,0.8319730160748351,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,12.797427826517884,13.732463404536254,14.582162303104568,15.3542839106964,16.056008544060987,16.693957298156036,17.274206842161252,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_126,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0684532058877436,0.3994619906833223,1.3975357487328597,3.111428889355284,4.737756201687446,5.776613080713176,6.310230262911049,6.556841416219906,6.648893997936908,2.497146644654579,0.2887042626741137,0.0045638725558343,8.770037053367087,2.858083370877909,5.413920422595139,0.5330412434428984,5.633934858276429,12.153022010903673,0.6385266913620773,7.175000709141217,0.9462887982412564,24.876922586737376,-0.6948073013092779,-1.2195497340208774,-0.0897347405879493,-7.175000709141217,-0.9462887982412564,-0.6122275315135534,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.54686408625293,14.425788668818932,15.221476643268396,15.942645001455562,16.596993915246028,17.191342893083007,17.73175070025137,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM1533_127,RSM1533.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664387113473999,0.39645600275801,1.4251406941875675,3.2526282797075514,4.984639871133062,6.078585207589595,6.636205974790851,6.89292531633727,6.98859283895676,2.5951298260651394,0.2855166055637453,0.0042762445478177,9.28480665977191,2.9928125173853712,5.715221857749336,0.6009304233820894,4.298133104255769,9.23989689774653,0.4494922559674408,5.074019280827485,0.7824428876627614,18.887540717123937,-0.3934458980234133,-0.5963077563769806,-0.0156381219416236,-5.074019280827485,-0.7824428876627614,2.607977490306682,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1533,13.686455171670977,14.593678832231085,15.403244133630622,16.12782262293775,16.778283320576676,17.36388743550272,17.892523179913944,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology rna"
RSM0220_0,RSM0220.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0142888193535636,0.3932425661075537,1.8564628775840768,4.114140294747997,6.14112989010026,7.411056998999291,8.058751596692572,8.357249511342907,8.468548200565458,3.326836197908196,0.2348788361917117,3.95799651845447e-05,12.028823036340729,5.74504818559087,6.376791624252535,1.0521992748092477,5.078425963400688,11.15009855618327,1.0112037090572412,3.100833381515171,1.8161074007690208,55.39212981700344,-5.078425963400688,-11.15009855618327,-1.0112037090572412,2.831944364141381,1.8161074007690208,-55.39212981700344,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-12.0,-25.9735986,-2.0,-12.0,0.5900000000000001,-90.0,RSM0220,14.976366880118285,16.040647627723825,16.947755282021923,17.72181329973922,18.38412980290344,18.952904181671705,19.443392622574063,"[Al].[O-]C(=O)C=CC(=O)[O-].[OH]pts,.cat0","linker [O-]C(=O)C=CC(=O)[O-], nodes [Al], [OH], topology pts,"
RSM0220_1,RSM0220.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0143242046720107,0.3935323711268902,1.856033034598219,4.111541206057924,6.136918523348764,7.406107179363413,8.053502032814821,8.351878206448038,8.463134059975678,3.3249878023619788,0.235116132613333,3.984513045557514e-05,12.008591996082968,5.738012055187618,6.368304427244944,1.0522488050689272,5.080738846091318,11.155051911660594,1.0115341208701885,3.103807087831695,1.8156976901209665,55.40369423045659,-5.080738846091318,-11.155051911660594,-1.0115341208701885,2.8269881869471747,1.8156976901209665,-55.40369423045659,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-12.0,-25.9735986,-2.0,-12.0,0.5900000000000001,-90.0,RSM0220,14.991202165211348,16.053891913006744,16.959568091343286,17.732361729831748,18.39357169758545,18.961381540206894,19.45102996935204,"[Al].[O-]C(=O)C=CC(=O)[O-].[OH]pts,.cat0","linker [O-]C(=O)C=CC(=O)[O-], nodes [Al], [OH], topology pts,"
RSM0220_2,RSM0220.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0145978712761411,0.3970400976417538,1.8637377151802808,4.138212331401944,6.209938561198,7.523347305886025,8.197538374871638,8.509181532504806,8.625528499498946,3.3416521343776715,0.2376486815423812,4.0804612817101634e-05,12.231227906173558,5.806158056648299,6.495443872555774,1.0589571265459086,5.083019416758828,11.159936066509042,1.0118599166798323,3.1067392501184923,1.815293703317008,55.415097083794144,-5.083019416758828,-11.159936066509042,-1.0118599166798323,2.8221012498025138,1.815293703317008,-55.415097083794144,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-12.0,-25.9735986,-2.0,-12.0,0.5900000000000001,-90.0,RSM0220,14.913003282531925,15.983579207634364,16.896799691053825,17.676422904689854,18.343655567721083,18.91671284438564,19.41091236336684,"[Al].[O-]C(=O)C=CC(=O)[O-].[OH]pts,.cat0","linker [O-]C(=O)C=CC(=O)[O-], nodes [Al], [OH], topology pts,"
RSM0220_3,RSM0220.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0146601716694505,0.3978540469541042,1.8651618672414527,4.138538287759565,6.208655205073058,7.520933392317975,8.194525808698742,8.505889141665879,8.622131203779816,3.342488516544901,0.2382217915747669,4.115335793260455e-05,12.221798259569118,5.808360338188057,6.491781337082566,1.061256247687284,5.080984091883612,11.155577139158495,1.011569155983373,3.1041224038503583,1.8156542465806167,55.40492045941807,-5.080984091883612,-11.155577139158495,-1.011569155983373,2.826462660249404,1.8156542465806167,-55.40492045941807,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-12.0,-25.9735986,-2.0,-12.0,0.5900000000000001,-90.0,RSM0220,14.896022023619794,15.968169590933435,16.88275147022867,17.66358070768796,18.331892864434224,18.905920598730813,19.40099403298519,"[Al].[O-]C(=O)C=CC(=O)[O-].[OH]pts,.cat0","linker [O-]C(=O)C=CC(=O)[O-], nodes [Al], [OH], topology pts,"
RSM0220_4,RSM0220.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1394064881422074,0.4776873114791697,1.2359626212553538,2.448412785117,3.5985854507439243,4.341735739661853,4.726399911960647,4.904852118258909,4.971572632763697,2.0161660315029097,0.38007737553483,0.0197737515534341,6.671668169922677,1.3913325726230958,4.507111282397486,0.1101732043401949,3.908207697339496,8.484505809034692,0.669413281971725,9.263513953113296,0.4840025216190909,27.317891251323267,3.908207697339496,8.484505809034692,0.669413281971725,9.263513953113296,0.4840025216190909,27.317891251323267,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0220,3.866285643024572,4.464886388776487,5.09227880225721,5.731956248166036,6.370179248067036,6.996517773427222,7.603722448574723,"[Al].[O-]C(=O)C=CC(=O)[O-].[OH]pts,.cat0","linker [O-]C(=O)C=CC(=O)[O-], nodes [Al], [OH], topology pts,"
RSM0220_5,RSM0220.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.139234765926829,0.4749618215781188,1.213959373796568,2.3913063384351267,3.524829916790253,4.267353876655025,4.654518321407981,4.834731287120314,4.90220367725026,1.9701535555711749,0.3786263662720893,0.0197331946005111,6.549571519230105,1.3121288313910628,4.452283993746652,0.0874712309705474,4.131628654427067,8.955691413350197,0.6942491405452672,9.685621778789203,0.5368576126976686,27.939296566033367,4.131628654427067,8.955691413350197,0.6942491405452672,9.685621778789203,0.5368576126976686,27.939296566033367,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0220,3.838963644188551,4.439170141244039,5.068396514244707,5.710009128100542,6.350177874327896,6.978413910902277,7.587433620991962,"[Al].[O-]C(=O)C=CC(=O)[O-].[OH]pts,.cat0","linker [O-]C(=O)C=CC(=O)[O-], nodes [Al], [OH], topology pts,"
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RSM0220_7,RSM0220.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1393990491653916,0.4775071948665129,1.2346985755678312,2.443264799717024,3.5872522320945803,4.325597359540432,4.707626371816275,4.884832419361855,4.9510838758069,2.012759236356071,0.379980487052925,0.0197723492454035,6.651598082997438,1.3856093861158103,4.495234962062748,0.1092595528093407,3.885572279519805,8.43792031470238,0.6680141211453392,9.229685248682516,0.4765531872388024,27.33312708257472,3.885572279519805,8.43792031470238,0.6680141211453392,9.229685248682516,0.4765531872388024,27.33312708257472,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0220,3.8706909915359216,4.469051212621446,5.09631490069067,5.735925488836791,6.374109229937162,7.000414881732278,7.607581330273537,"[Al].[O-]C(=O)C=CC(=O)[O-].[OH]pts,.cat0","linker [O-]C(=O)C=CC(=O)[O-], nodes [Al], [OH], topology pts,"
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RSM0220_18,RSM0220.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2143418734725416,0.9082956021275188,2.103910539712231,3.4424958890493924,4.47386397329805,5.084212752353358,5.389885237472537,5.529908889863558,5.582008239178943,3.008351507306776,0.7104259608595396,0.0230155213982553,6.948893828446828,4.3574918950480805,4.044831163039741,1.5973237351678171,1.8326253123561425,3.991071391899275,0.3260638599061132,4.4411361916050485,0.2041485266745209,15.684403759902978,-1.4280132867049904,-3.1841333985419,-0.3260638599061132,-4.036524165953896,-0.024096175259758,-15.684403759902978,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0220,10.2624950758154,10.935771938605203,11.590097733949944,12.223328495443672,12.83325280188293,13.418033867106413,13.976369019743853,"[Al].[O-]C(=O)C=CC(=O)[O-].[OH]pts,.cat0","linker [O-]C(=O)C=CC(=O)[O-], nodes [Al], [OH], topology pts,"
RSM0220_19,RSM0220.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1585432258867452,0.7980992925561945,1.926090186379093,3.498157345827499,5.014211445712427,6.010258526581414,6.529052697749272,6.770255933617781,6.860508474001821,2.938122924382932,0.6150829163619583,0.0098791235853759,8.737176778694916,4.083686896073966,5.393146314466193,1.2788443484698355,1.378348378640497,2.8079945008059606,0.0573082820382789,1.8368146349467287,0.5059119996732481,8.037907533968063,0.8052655582577072,1.5468959542469718,-0.0573082820382789,0.3467993019514755,0.4657962022464529,-8.037907533968063,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0220,6.545816119546583,7.298160215123375,8.046151286073334,8.785497639929462,9.51223811879452,10.222619251282444,10.91319931501826,"[Al].[O-]C(=O)C=CC(=O)[O-].[OH]pts,.cat0","linker [O-]C(=O)C=CC(=O)[O-], nodes [Al], [OH], topology pts,"
RSM0220_20,RSM0220.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1588231889234712,0.7982031969759829,1.922261779966623,3.4789989369632828,4.975251992070082,5.957881491183269,6.469794523554563,6.707840588026928,6.796919604130461,2.92542682705358,0.615342619523985,0.0099379696025347,8.616121151021186,4.064771109400136,5.275758996256728,1.2693369916626718,1.4605891231904913,2.99161978375031,0.0763269666786487,2.071204856619681,0.5068490972973023,8.829484949525432,0.6973194564040043,1.312005191963972,-0.0763269666786487,0.0867037229748147,0.4534202206222483,-8.829484949525432,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0220,6.601323952542134,7.347429630348582,8.090445504910315,8.825699503578438,9.548987405743231,10.256396389135034,10.944377248583711,"[Al].[O-]C(=O)C=CC(=O)[O-].[OH]pts,.cat0","linker [O-]C(=O)C=CC(=O)[O-], nodes [Al], [OH], topology pts,"
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RSM1042_91,RSM1042.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0630310824713976,0.3554721935396019,1.1975195686271023,2.6185015753926573,3.97580912658658,4.848997553071975,5.2991306691595925,5.507488844554871,5.585312983844323,2.108863413936254,0.2591413147521239,0.0040629452923287,6.787166382650661,2.019984803287937,4.25326844137597,0.2251712891066973,5.579790240419023,12.342263247778764,0.5809835997047849,7.494808425325253,0.9105389791424566,22.21285879818489,-1.965374913902441,-3.6307641652199454,-0.3165141855694253,-7.494808425325253,-0.9105389791424566,-9.199563686412471,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1042,15.202897540809944,15.944150653980566,16.610836253165292,17.212567368151532,17.757110869875156,18.250917786594464,18.699467014088142,"[In].[O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-]utp,.cat0","linker [O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-], nodes [In], topology utp,"
RSM1042_92,RSM1042.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0607320596453123,0.332838169972159,1.0415240091733842,2.2433628882595005,3.4654819503911183,4.288186774653612,4.722001577755861,4.92485414919859,5.000940502592052,1.8040069984847649,0.2461370992109559,0.0037924566402697,5.394149436255967,1.2480040483768629,3.516586080066611,0.0928182853596292,8.089846284834563,18.376006038032138,0.7799933622006717,7.942118173242735,1.0047564364864632,27.15874632439154,0.3583690499101248,1.985964983382534,-0.1618312645364262,-7.942118173242735,-1.0047564364864632,-5.805115611406891,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1042,15.591329216688663,16.30445709339198,16.95036497581496,17.5361957099064,18.068089298065686,18.55142161209205,18.990964540486164,"[In].[O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-]utp,.cat0","linker [O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-], nodes [In], topology utp,"
RSM1042_93,RSM1042.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0630640842884707,0.3500460838516385,1.1755799833305156,2.601935954126806,4.001229306892933,4.918334938350968,5.395781572076515,5.617798339900509,5.70088449855084,2.0856102283735685,0.2561639245757446,0.0040788139908375,6.235679917178417,1.7799941960079722,3.9465474975895343,0.2116951592189309,7.640071962628777,17.37428930816191,0.7017324206253699,6.973539005539455,0.9738455072802208,25.133091917177687,0.6662533665900475,2.645697037641591,-0.0939525184874072,-6.973539005539455,-0.9738455072802208,-2.715880951769515,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1042,15.158508806134096,15.890791996252537,16.554948825504376,17.15783884400887,17.705606671486795,18.20373677206181,18.65712786198776,"[In].[O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-]utp,.cat0","linker [O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-], nodes [In], topology utp,"
RSM1042_94,RSM1042.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0628718632792688,0.3451257702489241,1.1206942169458805,2.4744374395073856,3.858282870310498,4.791377488960681,5.283893932674667,5.514316699822628,5.600764330149258,1.9779402944485427,0.2539929072222516,0.0040548072672133,6.611379809820293,1.6618367072607745,4.1706528087824095,0.1336429513006339,6.289856959906507,14.021621573425518,0.5976572606129895,7.2446791744357935,0.9981748058582552,23.487829520849843,-1.2290869377981264,-1.8241042927738285,-0.227357015092864,-7.2446791744357935,-0.9981748058582552,-5.387670128855032,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1042,15.333249976671986,16.07339668074991,16.740465084959663,17.34329779167649,17.88927306836698,18.384640036455547,18.8347699064646,"[In].[O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-]utp,.cat0","linker [O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-], nodes [In], topology utp,"
RSM1042_95,RSM1042.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0630595763721507,0.3528753053844566,1.188472908832931,2.610070623756471,3.9717227772777512,4.847861559842492,5.299443423662764,5.508449838347137,5.586512253363076,2.0993495328663765,0.2576732976270157,0.0040747334114824,6.832544168412037,2.010087010297056,4.236429802318956,0.1970190326080454,6.019705358025476,13.371324325837149,0.6266805595394193,7.835644444575714,0.9385051443038256,23.445652672712864,-1.790746616723225,-3.1786467094163995,-0.3172445540782789,-7.835644444575714,-0.9385051443038256,-9.591726303906574,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1042,14.908325260559089,15.70211949036549,16.412533017027904,17.051132101123265,17.62712990653023,18.148056826954967,18.620206324677675,"[In].[O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-]utp,.cat0","linker [O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-], nodes [In], topology utp,"
RSM1042_96,RSM1042.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0603553063937479,0.3347562730215072,1.067742807269656,2.3302607942834346,3.6163301793585982,4.480153092577048,4.934875008615992,5.147318492741096,5.226972001496852,1.86776742814982,0.2466670063684191,0.0037425443109646,5.6513438931513,1.3531458338483344,3.648168281546666,0.1071740305104848,8.03140001763968,18.22203542992052,0.7786688425033819,8.033221379939627,1.0097785974010038,27.199721221637173,0.2050098045155262,1.6294398786557442,-0.1760047091749519,-8.033221379939627,-1.0097785974010038,-6.213853087104512,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1042,15.078924211326536,15.798242937210386,16.45106530256001,17.043739062189758,17.582011983656756,18.071093224659144,18.515711162138093,"[In].[O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-]utp,.cat0","linker [O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-], nodes [In], topology utp,"
RSM1042_97,RSM1042.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0627152865879906,0.3463096776794443,1.1796854063720943,2.7338867231049977,4.331827419087318,5.394423370254324,5.949581045019238,6.207961036762854,6.304678532584023,2.158571925257841,0.2539277720094255,0.0040380867228985,6.855971037240898,1.8799761731720444,4.36473682829936,0.2099201437880734,8.053433276803732,18.34037442711695,0.7405025256446085,7.245184581846538,1.00523807050729,26.25970367249102,0.8505352685084101,3.1200574287801834,-0.0889926320851833,-7.245184581846538,-1.00523807050729,-2.7726268480516905,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1042,15.124290171248337,15.84443614535106,16.497260914986573,17.089684371295398,17.627828978281684,18.117123317051007,18.56240027316592,"[In].[O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-]utp,.cat0","linker [O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-], nodes [In], topology utp,"
RSM1042_98,RSM1042.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0619455395362702,0.3444365013132854,1.1189730624802534,2.4567524054835115,3.826690709712817,4.754168391492105,5.244905618543004,5.474759538481167,5.56103554757205,1.966479284711233,0.2528586644148817,0.0039344298836172,6.423891546690864,1.605762683512453,4.076880662365595,0.1358127207658766,6.807349447394251,15.267849482405293,0.6529188790268092,7.505890912145019,1.0007365294192632,24.622224104667744,-0.8229238904261247,-0.8441286203611325,-0.2150340821754827,-7.505890912145019,-1.0007365294192632,-5.756129537412475,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1042,15.02439148874008,15.804723516449595,16.50796936269063,17.142748735710803,17.7165741316155,18.236012008022623,18.706828823316474,"[In].[O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-]utp,.cat0","linker [O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-], nodes [In], topology utp,"
RSM1042_99,RSM1042.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0628354186738037,0.3542706684931332,1.19293409732486,2.597433407312926,3.928125849297096,4.780269316833139,5.218614991761241,5.42132644862538,5.497012262651189,2.095291096476779,0.2582684968663107,0.0040408902018107,6.643651576703432,1.9804068187902883,4.163771197865295,0.2173888093831057,5.838743739610451,12.96002051157476,0.6208546031707103,7.805285070377567,0.9037297994465174,22.9511683947746,-1.8706109886897664,-3.395988241815473,-0.3305034262740747,-7.805285070377567,-0.9037297994465174,-10.34636263579288,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1042,15.352343988098282,16.09215748830213,16.757940692405178,17.359182178180085,17.903544137825204,18.39739271682235,18.84614032444213,"[In].[O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-]utp,.cat0","linker [O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-], nodes [In], topology utp,"
RSM1883_0,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0061063977394576,0.1919740091393497,1.065523677160667,2.5834364943264188,3.98694618816086,4.871135693726059,5.322709699671414,5.530919215249671,5.6085661936854985,2.0446611418290805,0.1109328345174786,1.3918751355467263e-05,5.927678630615631,2.107189751404396,3.703442177970044,0.431504786342658,22.871993703963906,51.22736335104458,2.1344839913529325,5.02876225699024,1.583728264441592,60.82016980871571,-22.871993703963906,-51.22736335104458,-2.1344839913529325,1.6745526429378883,1.583728264441592,-60.82016980871571,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM1883,20.895312951814304,21.361024093718274,21.73646776519425,22.042899341268143,22.295803583706565,22.50664942874409,22.684056527445097,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_1,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0040978932859244,0.1959384909053202,1.1501137646927122,2.7769297000902418,4.315032752914487,5.307657481960976,5.821419615434865,6.059778599164242,6.148901237487696,2.1974733654094543,0.1077538253777863,4.233953753465213e-06,6.046662580318449,2.2526645979036,3.7665097570997705,0.4310695784342083,21.35857596145042,47.933330452752216,1.9419032595185883,3.890893351730515,1.7205476018624055,54.3236405200801,-21.35857596145042,-47.933330452752216,-1.9419032595185883,3.786900684066325,1.7205476018624055,-54.3236405200801,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM1883,21.267910337987693,21.709167931900488,22.057936739089858,22.33786962646318,22.56565460973647,22.7532944581086,22.90957614424541,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_2,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0061659102751309,0.1931544361363611,1.071160449794037,2.596967090044351,4.007880863216934,4.896524483983744,5.350273049994732,5.55945932722967,5.637466211247128,2.055338511847137,0.1116594660955545,1.4155204245603228e-05,5.993085681965924,2.1366199957178647,3.738851618447516,0.4363145104935377,22.892820609986305,51.27297099369416,2.13684285055378,5.0400069822525495,1.582611788582024,60.89353659051603,-22.892820609986305,-51.27297099369416,-2.13684285055378,1.6548552113789623,1.582611788582024,-60.89353659051603,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM1883,21.143927400560287,21.572880722851025,21.918722974171093,22.20108081574355,22.434211110565748,22.6286574085541,22.79233854683952,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_3,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0042179697027907,0.1970539712389405,1.1491316885025955,2.770432135094926,4.305587351557816,5.297627608136091,5.811444567122419,6.049904290622848,6.139076283941303,2.192745105637244,0.1086716109590853,4.63965857983548e-06,6.024291516034389,2.243469834590545,3.7580244105874185,0.4307289233680632,21.405317472855767,48.03746394510644,1.94662251871024,3.9067075761838,1.7223531306792177,54.46596171318721,-21.405317472855767,-48.03746394510644,-1.94662251871024,3.776196848441887,1.7223531306792177,-54.46596171318721,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM1883,21.61695674439745,22.00290322901404,22.30823685609388,22.553516397765133,22.75325738145449,22.91790960183909,23.055130428754648,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_4,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.00612208232723,0.1918493314054643,1.061803061309109,2.573418038649866,3.972149245526939,4.853706877079605,5.30402415247475,5.511671610255454,5.589111623127847,2.0367300648223123,0.1109594030958394,1.3967298466030896e-05,5.893810778976445,2.092760736544732,3.687511905212986,0.4290704580367104,23.027176236546644,51.56112860856554,2.155963892329575,5.173060432049122,1.5597932538863175,61.56394299257488,-23.027176236546644,-51.56112860856554,-2.155963892329575,1.3735269292009171,1.5597932538863175,-61.56394299257488,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM1883,20.889519981080635,21.356955734374324,21.73350733284597,22.04067541515532,22.294085227606327,22.50528856414799,22.68295538910299,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_5,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0042645297303305,0.1969914195953524,1.149391510187142,2.776724964767914,4.318695841466977,5.314853155507058,5.8306620838936025,6.0700115766634015,6.15951058543662,2.1965507292342923,0.1087564354954694,4.771699909478424e-06,6.055872288959344,2.25665215726393,3.777465538720281,0.4309986263136361,21.37461998251533,47.96922870913113,1.943531373889504,3.8963520005622,1.7215147229586176,54.37417052757019,-21.37461998251533,-47.96922870913113,-1.943531373889504,3.784941305254356,1.7215147229586176,-54.37417052757019,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM1883,21.311065362451348,21.744084545389,22.086694919392208,22.36193077382556,22.586065966570565,22.770821051712645,22.92478713098332,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_6,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0060567418878415,0.190760846781632,1.0608008516273195,2.578193044327547,3.983745614665242,4.869620063528989,5.322086482918773,5.5307079518825,5.60850823658537,2.039104135401037,0.1102188392770581,1.3687607422660144e-05,5.924311308531186,2.0995271128996107,3.7024190869696727,0.4280285750157386,22.9698880551236,51.43701318804362,2.148457371726245,5.1264908493386905,1.5663825208023332,61.30889164138599,-22.9698880551236,-51.43701318804362,-2.148457371726245,1.4649632648743922,1.5663825208023332,-61.30889164138599,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM1883,21.012981378743337,21.46222019354968,21.8242112768792,22.119568111553903,22.363278470798893,22.56642826835881,22.73734144208244,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_7,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0041717416835116,0.1965929180098764,1.150808032711421,2.7784929572626065,4.318430427016159,5.312520058413351,5.827092668064697,6.065836651588303,6.155104503442487,2.1985644802990927,0.1082881853873833,4.478779654519313e-06,6.055030465724502,2.2582297635935547,3.769670041135458,0.4303820361858582,21.350163651065817,47.91398547697652,1.9413954806934248,3.89338434541664,1.718689592153672,54.314718925142,-21.350163651065817,-47.91398547697652,-1.9413954806934248,3.774435901122052,1.718689592153672,-54.314718925142,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM1883,21.364308781225404,21.790043733146103,22.126693785711776,22.397002447886912,22.617026994032425,22.798323898148816,22.94935823023423,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_8,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409558785983399,0.4790642892093552,1.2635284154789708,2.680137781688259,4.181773865506374,5.20797355666477,5.751872173030652,6.006678303980579,6.102319007622478,2.152224511885146,0.381606921625264,0.020226616555591,8.328176285777603,1.9053990100487388,5.52034744653383,0.1514490155018479,3.893863714118012,8.400023745432987,0.6152187148347056,8.815613432795658,0.5792342624674423,23.595991467839333,3.893863714118012,8.400023745432987,0.6152187148347056,8.815613432795658,0.5792342624674423,23.595991467839333,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.574674384283403,4.260240084233349,4.963107015106551,5.665880248180259,6.355325208777623,7.022218308767663,7.660775870531964,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_9,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419326104320392,0.4883754210342595,1.292874892828424,2.5470091684329006,3.7139155608662513,4.465304750277677,4.854378481215926,5.0349747463786585,5.10251637934731,2.1043988133444698,0.386732034627027,0.0204917431617944,7.39227132214346,1.649547371292934,4.966325080210208,0.1460936490794153,5.844565753485614,12.62151210076331,0.9363656902447848,13.335491275443893,0.8451460910921262,36.32276954970687,5.844565753485614,12.62151210076331,0.9363656902447848,13.335491275443893,0.8451460910921262,36.32276954970687,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.378006698844369,4.053797872850723,4.75145291759626,5.452679846531841,6.143417221783785,6.813716209124797,7.457181097494292,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_10,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419506393144401,0.5026839004947149,1.460181891218035,3.069956117767051,4.589954902445973,5.563141353241771,6.064120315154276,6.295917392161617,6.3824846586905855,2.495292238865576,0.3928397987376608,0.0204830365966555,10.159479349255816,2.6070714795413745,6.662662297807676,0.3163221153176618,4.242170601004163,9.161667570165886,0.6802015810256281,9.683783249209188,0.6123879530237994,26.403257666773147,4.242170601004163,9.161667570165886,0.6802015810256281,9.683783249209188,0.6123879530237994,26.403257666773147,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.543531525444945,4.220086977389441,4.912848234257258,5.605392176663343,6.285241148608035,6.943660050363895,7.575115460899123,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_11,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419039951053829,0.585704833011498,1.7018833914922014,3.5968351616445573,5.519242656325857,6.80349878427389,7.477107403411287,7.791241903489538,7.908930500383175,2.9032416808966564,0.446788672111595,0.0189737165491058,12.242840620109313,3.6511394676603297,7.233661432082133,0.3685782901670791,4.404353708400272,9.522255333707092,0.7017751342096525,9.836845272023242,0.6149922378172815,27.21497769223172,4.404353708400272,9.522255333707092,0.7017751342096525,9.836845272023242,0.6102331792206226,27.21497769223172,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1883,2.701417013504728,3.113619640627143,3.57020953637744,4.064025556992974,4.5856834787904015,5.125458634872598,5.674462017207572,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_12,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416494993251046,0.5889335620965624,1.7112719779914864,3.5554457807357265,5.380884850898555,6.589831397544597,7.222350896021664,7.517097250028913,7.627494074970187,2.8879122226131075,0.4484049638901738,0.018885126122336,11.998323360868818,3.644379223182772,7.080551678382639,0.3912934430890054,4.115202258654692,8.884305057801523,0.6386816446160565,8.996968311997351,0.5972527736573651,24.27265298921314,4.115202258654692,8.884305057801523,0.6386816446160565,8.996968311997351,0.5912895399920228,24.27265298921314,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1883,2.667162515047504,3.08026205809998,3.5368255502473174,4.030091195375732,4.550997252846183,5.090051116496484,5.638514208454934,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_13,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414269657823743,0.5029891735007825,1.4556401438023725,3.027596323465783,4.489496680442691,5.418916085054701,5.896071277577186,6.116614736722184,6.198946142900232,2.4699903048622813,0.3928277278749656,0.0203198194977525,9.871839873832268,2.536348495909601,6.473141449072356,0.303579034522952,4.366484529626943,9.422127717840995,0.6923592362629868,9.905358419730838,0.6449120476908888,26.63272389027437,4.366484529626943,9.422127717840995,0.6923592362629868,9.905358419730838,0.6449120476908888,26.63272389027437,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.519537111569081,4.198915233614548,4.895582678648264,5.592574160057427,6.276980340285562,6.939765703137286,7.575213146056469,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_14,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413445106466515,0.4826461526476852,1.2635280776122395,2.481869531402676,3.601486030476184,4.312482721922528,4.677623240808498,4.846439827349213,4.909469413272592,2.052901376540712,0.3834523179907365,0.0203374289830219,7.140440477742547,1.555219941107744,4.821801910622588,0.1303770146474261,4.965242923833088,10.71989758639594,0.7928782080187587,11.308268587983155,0.7228864610705514,30.67525994214768,4.965242923833088,10.71989758639594,0.7928782080187587,11.308268587983155,0.7228864610705514,30.67525994214768,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.32757055781832,4.000971285400585,4.698238835650134,5.400626650034124,6.093616062472473,6.7668747470028,7.413717075816642,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_15,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412495480952432,0.4797317594198703,1.2557868960262295,2.6397114140194207,4.100080796070476,5.096431284521845,5.624163105317973,5.871328976508667,5.964092003961863,2.125123492185005,0.3822448273392784,0.0203085572541955,8.003500442893241,1.787910147481098,5.354771491301816,0.1439445787832854,3.838868237392804,8.31595735921737,0.5595125251001216,7.301864809336153,0.4968725853101219,20.598694959337305,3.838868237392804,8.31595735921737,0.5595125251001216,7.301864809336153,0.4703389188400414,20.598694959337305,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1883,3.602484507492413,4.290802500386604,4.994796332976454,5.697409584575023,6.385778828436842,7.051007492879079,7.687568856893667,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_16,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409500847200415,0.4784028901950607,1.2573367479279274,2.661866648567519,4.15222361616908,5.171837869562903,5.712581785587236,5.965984233073393,6.061109844440455,2.138372681982363,0.3812957613092536,0.0202263936474548,8.262555946030036,1.8765092512771084,5.480072218609053,0.1450106727964856,3.862512856747145,8.333078656316047,0.6109311650346547,8.749962177024383,0.5733222868125014,23.452617268690112,3.862512856747145,8.333078656316047,0.6109311650346547,8.749962177024383,0.5733222868125014,23.452617268690112,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.583809388194497,4.270832891311783,4.974928426030438,5.678670411539808,6.368823718223532,7.036184203901721,7.674998307259209,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_17,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419559828276974,0.4885837577768589,1.2942162431225908,2.551778154909854,3.7244255429241737,4.480576792797141,4.872364310349634,5.0542681500651385,5.122305931885941,2.10763405383938,0.3868469946020079,0.020498358095934,7.410900252062774,1.6551172855048226,4.978082747282327,0.1468968964136858,5.81940001395949,12.567772686013358,0.9329223462170538,13.28277878369592,0.8404036070549981,36.20756416539629,5.81940001395949,12.567772686013358,0.9329223462170538,13.28277878369592,0.8404036070549981,36.20756416539629,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.3801665025613006,4.05687883066924,4.755281346179994,5.457091367668491,6.1482639134508,6.818870113170925,7.4625349319350995,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_18,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420041712088486,0.5045243665406283,1.469181791162797,3.0852690275721804,4.610711884902784,5.588771920267974,6.092838196663343,6.326206935202545,6.413384896130886,2.5087400076397013,0.3938333591422787,0.0204919431888102,10.233385544377857,2.639261853514072,6.703192032323434,0.3227341055130607,4.281332275906154,9.24606977347309,0.6863122074661291,9.771829935635187,0.6183574737792463,26.635193143098263,4.281332275906154,9.24606977347309,0.6863122074661291,9.771829935635187,0.6183574737792463,26.635193143098263,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.543002658805771,4.219692912732634,4.912466637845454,5.604923637138995,6.28460137366372,6.942770785579737,7.573897142624692,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_19,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420767403915386,0.5879444555545618,1.7215972958338648,3.650168130623141,5.599781219899596,6.898748726972808,7.579176135659868,7.8963038876372,8.015085033580926,2.9449588067029944,0.4479474204264562,0.0190164205546857,12.477420748016206,3.769192661456153,7.361895355589545,0.3976201230794,4.454383939190199,9.630309816019125,0.7084074531337317,9.92238317096455,0.6220077724358261,27.439953695450303,4.454383939190199,9.630309816019125,0.7084074531337317,9.92238317096455,0.6167890478495152,27.439953695450303,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1883,2.668630048593605,3.0873850114539256,3.549307906393699,4.047402085060107,4.572446359971831,5.114862683743039,5.665887077817967,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_20,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416157269051098,0.5888758461574273,1.7115242908096289,3.558492630511569,5.387521413545252,6.598700762807175,7.232295819772307,7.527519260600907,7.638090739805521,2.889738375069094,0.4483553697817233,0.0188760522925953,12.093546110610792,3.656389593697067,7.133240772859259,0.3836946218790846,4.10279018729838,8.856584058094063,0.637361542885261,8.99358651876606,0.5973438319101771,24.230178405999578,4.10279018729838,8.856584058094063,0.637361542885261,8.99358651876606,0.5918936982726569,24.230178405999578,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1883,2.657926640277679,3.074404443056032,3.533877352088959,4.02958727297676,4.552491557930627,5.093128628919215,5.642797847707262,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_21,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414939799628398,0.5041873522222214,1.462790168546549,3.0429835285181244,4.5112032439977865,5.444021755990439,5.92273033263889,6.143947420825258,6.226523100707469,2.4826520703885584,0.3934644395802291,0.0203361681703224,9.946319797143774,2.5669874143468894,6.516036232153473,0.3099813683094544,4.336833557156423,9.358649901934704,0.6881464750291414,9.842005357389551,0.639616292254968,26.48608546625777,4.336833557156423,9.358649901934704,0.6881464750291414,9.842005357389551,0.639616292254968,26.48608546625777,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.514570696129896,4.193491736369329,4.889753695358196,5.586400681937383,6.270530703850849,6.933111017638718,7.568422760090783,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_22,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414030343790601,0.4831854285415661,1.2665181793996445,2.488265365123939,3.611364038050132,4.324926902263505,4.69149207646422,4.860990461217268,4.924278225362412,2.058102511817284,0.3837558514232523,0.0203530776330628,7.162792947714041,1.5642603435946714,4.834282169495226,0.1318839994102013,5.047912762601144,10.893213945279369,0.8010680082499416,11.456456828600675,0.7443186638888689,30.835196764490178,5.047912762601144,10.893213945279369,0.8010680082499416,11.456456828600675,0.7443186638888689,30.835196764490178,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.3244073875280424,3.997323955249894,4.69429145226228,5.396514086934502,6.08943598263199,6.762697155884063,7.409591544869624,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_23,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412373989287379,0.4794031646804347,1.2577533383743555,2.6545718806038554,4.128858827753418,5.133370440072319,5.664961042438024,5.913828309434015,6.0072129340137055,2.134799320093119,0.3820445844660059,0.0203063407712782,8.095410255469464,1.8209515053796528,5.408576659498316,0.1483903659022721,3.798631758468324,8.21310580306164,0.5678732882104708,7.709442763048544,0.5243301510183699,21.1493179973602,3.798631758468324,8.21310580306164,0.5678732882104708,7.709442763048544,0.5077731788466103,21.1493179973602,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1883,3.6078454328629626,4.29732701938056,5.00226692832243,5.705605307572689,6.39449348861023,7.060059696924405,7.696805795921501,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_24,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409318480807166,0.4786848758998088,1.2565752433965731,2.652143262960485,4.131216089686527,5.143463886719651,5.680495132839869,5.932206585448262,6.026705489772208,2.132460472842431,0.381443965389622,0.0202201050870576,8.175940022667682,1.84829790794218,5.436004670508365,0.1442815418712446,3.812684456630408,8.224871668338787,0.6023650810932327,8.631605105376268,0.5672100561507198,23.102133393374253,3.812684456630408,8.224871668338787,0.6023650810932327,8.631605105376268,0.5672100561507198,23.102133393374253,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.5848765957635527,4.2711916503129865,4.974655060341078,5.677861348349437,6.3675790225389575,7.034597910606232,7.673153651575254,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_25,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419792127681501,0.4888932867373001,1.295508174635882,2.552331074810925,3.721768512255332,4.475028381216664,4.865166546231258,5.0462805529716,5.114019746858134,2.1088126455251666,0.3870270429278917,0.0205036215267305,7.408980361804781,1.656749784254266,4.9762183853205,0.1476069483395536,5.840855133145159,12.613989639272685,0.9362471794498968,13.330832568744333,0.843717072781039,36.33302689576697,5.840855133145159,12.613989639272685,0.9362471794498968,13.330832568744333,0.843717072781039,36.33302689576697,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.380468418443077,4.056247696077785,4.75390093158399,5.455125291455245,6.14585259448063,6.816130782583041,7.459563390852937,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_26,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419243339126197,0.5025789770833144,1.4603379541462589,3.074231793049655,4.601518875273436,5.580646039184895,6.084993428799874,6.318412151293542,6.405594708437553,2.497605967386086,0.3927716691810881,0.0204755693681669,10.201665076455276,2.6153288550828497,6.690040710215468,0.3169468564502415,4.2417551876525765,9.161659524976658,0.6809973389993728,9.68973389964756,0.610711047881572,26.461037791693222,4.2417551876525765,9.161659524976658,0.6809973389993728,9.68973389964756,0.610711047881572,26.461037791693222,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.5425174678834352,4.219417135538434,4.912507415887532,5.605353781608175,6.285470174848276,6.944118116207321,7.575764909868742,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_27,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419657695036137,0.5865837145712561,1.7081615515102069,3.612479837642327,5.544028046403926,6.834045840799,7.51053213505224,7.825971583276777,7.944142821374777,2.915495212587395,0.4472339508238287,0.0189905966737806,12.311434180934691,3.682668116736321,7.270723606836936,0.37605723143309,4.433488644760971,9.583883049590488,0.7059622655147043,9.909169663196296,0.6216595057156578,27.35640214193254,4.433488644760971,9.583883049590488,0.7059622655147043,9.909169663196296,0.6171542958049306,27.35640214193254,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1883,2.683290649965606,3.0993949731006785,3.5589509015954977,4.054982878993687,4.578274192859052,5.119241202781823,5.669107856362549,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_28,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415651594896089,0.5885962542661938,1.710368404415893,3.551357144259524,5.370684584784332,6.574406470250385,7.203908754337934,7.497192355134393,7.607032698082496,2.885367579079705,0.4481468508750866,0.018865057445124,12.048302709437865,3.6426988205450335,7.111764249994264,0.3867506118413786,4.107941007462782,8.869328643541609,0.6375342748978929,8.972134986911056,0.5948279381536823,24.233839103469705,4.107941007462782,8.869328643541609,0.6375342748978929,8.972134986911056,0.5886448847796738,24.233839103469705,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1883,2.6725376565428403,3.0853196771380738,3.541629418076928,4.034682429505094,4.555397648957089,5.094270988095117,5.64255898015514,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_29,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415485725226034,0.5037527046293044,1.46027409451035,3.0381040939131805,4.505017330763816,5.437491243447239,5.916178142752747,6.137421249157407,6.220012491798915,2.4784962524562766,0.3932673269186615,0.020353951074257,9.92154512744331,2.5570854964952328,6.501807787330439,0.3080230634245495,4.331404510305964,9.344268880918058,0.6846997563450964,9.809002561066736,0.643662963939098,26.271960392626937,4.331404510305964,9.344268880918058,0.6846997563450964,9.809002561066736,0.643662963939098,26.271960392626937,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.524136553897953,4.203456331879328,4.899840603424914,5.596408929440399,6.280319974855724,6.94258793100611,7.577529153111449,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_30,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412771145981164,0.4817589010840216,1.259118905498469,2.474975514403603,3.594782447275695,4.306678890388027,4.672453103584806,4.8415959645983815,4.904752365599776,2.0464861731279704,0.3829569929720266,0.020320670232747,7.12202689291816,1.5440669725939835,4.811996856461244,0.1277088621490723,5.097899186075325,10.997457399170514,0.8054840956161319,11.541771951004382,0.7582824585232727,30.8943907627526,5.097899186075325,10.997457399170514,0.8054840956161319,11.541771951004382,0.7582824585232727,30.8943907627526,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.330817736622356,4.004027646889262,4.701082427782072,5.403251144402172,6.0960246509202936,6.769076499676253,7.415724566348445,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_31,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411470624525574,0.4794244581433829,1.258733752986121,2.6585430565314643,4.13676352094012,5.143916693267436,5.6768413192836285,5.92631456497395,6.019923354304597,2.137500924843165,0.3819917938433127,0.0202801942105498,8.113241290216788,1.8282083517253145,5.416176447139248,0.1490217120009561,3.68153780185169,7.951836362893559,0.5552266425936235,7.670554582115283,0.5246791406260359,20.73847848116711,3.68153780185169,7.951836362893559,0.5552266425936235,7.670554582115283,0.5128201883276089,20.73847848116711,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1883,3.6087410881608295,4.297794498179015,5.002276695117997,5.705162543942225,6.393628706172697,7.058818921845882,7.695242452300746,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_32,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408841859046737,0.4790032516107489,1.2602872350661476,2.663399295252596,4.149673001757533,5.166282369501207,5.705464235912599,5.958148212524091,6.053006639893351,2.1409477668980603,0.3815577146135158,0.020205510230426,8.226794580428834,1.870497261464495,5.46093885592984,0.1470124474378528,3.867508052601187,8.343352778571987,0.6112337357220677,8.75737793837773,0.5749778289286512,23.448821237538805,3.867508052601187,8.343352778571987,0.6112337357220677,8.75737793837773,0.5749778289286512,23.448821237538805,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.5770137582428334,4.262698054021614,4.965734102169278,5.668686060180295,6.358292656632107,7.025315944702201,7.663966714143677,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_33,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418817902617652,0.4876355575128675,1.289140357724619,2.5397202118730915,3.703147891224148,4.451891018770741,4.839459845269074,5.019327276309396,5.086591512872393,2.098308196413844,0.3863192444903395,0.0204794334326952,7.362233980393714,1.6382951494217874,4.94913185618868,0.1442132692172026,5.82387152583426,12.57711575020932,0.9333348586936746,13.290550395383658,0.8416199689456058,36.21408247938592,5.82387152583426,12.57711575020932,0.9333348586936746,13.290550395383658,0.8416199689456058,36.21408247938592,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.388127965780293,4.0643516700209,4.7623309127836,5.463762091063612,6.154585677969022,6.824863728197012,7.468216079258749,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_34,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141867385848756,0.5026300460040898,1.4604769948804268,3.0706687021883545,4.5917390624785535,5.566234740908664,6.0681017916840405,6.300360226464334,6.387108015505922,2.4958243788655854,0.392754237220237,0.0204589620879549,10.165187232180068,2.608376966833025,6.665168263336703,0.3159856881873974,4.24233206102701,9.162324070655432,0.680526013080585,9.686540165671689,0.6118514926309221,26.42516061050591,4.24233206102701,9.162324070655432,0.680526013080585,9.686540165671689,0.6118514926309221,26.42516061050591,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.5396388170289685,4.215956690938821,4.908625283887999,5.601180797992678,6.281112687482504,6.939661374746783,7.571276040842347,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_35,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419830529162464,0.58666848977653,1.7122946860815895,3.626799329917481,5.5659679115359175,6.859767995081828,7.537944833649056,7.854117499796834,7.972555338172465,2.9263230790530548,0.4472563403932356,0.0189947303977667,12.39607337015429,3.722054970054373,7.312961791991296,0.3824958173285224,4.448678487381965,9.61877407783147,0.7069093611130324,9.887767021535488,0.6195655850963134,27.374092489181475,4.448678487381965,9.61877407783147,0.7069093611130324,9.887767021535488,0.6139035615195084,27.374092489181475,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1883,2.6831313901098217,3.0990590939201064,3.5585437623321043,4.054570617688071,4.577886897711542,5.118876577063141,5.668736173547942,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_36,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417166235407745,0.5892525626405252,1.7192894132880805,3.583435683169886,5.426516322119785,6.645172643701798,7.282187135641487,7.57890037176677,7.690013766450756,2.9086607792502286,0.4485202938557244,0.0189046524431116,12.166331676405347,3.7100405631061633,7.171388412739022,0.4033508309800583,4.152558697631707,8.965732815855116,0.6440867028797086,9.061056496450384,0.6010965788087085,24.4744445569852,4.152558697631707,8.965732815855116,0.6440867028797086,9.061056496450384,0.5947009738886873,24.4744445569852,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1883,2.666615641559752,3.079589477927437,3.535967718941812,4.029015559661157,4.549683500036068,5.088482301920278,5.636671575734717,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_37,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414657467173145,0.5029318184207296,1.456036174024605,3.0305077459795133,4.49683428419449,5.430106009871707,5.909533151702674,6.13119105060831,6.213948665444731,2.4717531901853533,0.3927951497780996,0.0203327501281942,9.891267568034346,2.541661442263268,6.485192575620168,0.304078756065166,4.372453090410102,9.43521248215363,0.69350506910141,9.92049364322138,0.6454196206673516,26.68308938504819,4.372453090410102,9.43521248215363,0.69350506910141,9.92049364322138,0.6454196206673516,26.68308938504819,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.518321779622404,4.19735264065981,4.8937598726687535,5.590550165019073,6.274800153051851,6.937466771335545,7.572827990228032,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_38,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413079238097029,0.4823066910925468,1.2621307862445468,2.4808075564091694,3.602888460455696,4.3163283985585466,4.682944338809141,4.852488479339058,4.9157966956425465,2.051422470404077,0.3832522650722089,0.0203279103536348,7.141949718561603,1.5526380855195108,4.823439563701638,0.129379549380962,5.077385231206659,10.956276523241808,0.8052233124652617,11.51917173092875,0.7496427170145974,30.978705716535018,5.077385231206659,10.956276523241808,0.8052233124652617,11.51917173092875,0.7496427170145974,30.978705716535018,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1883,3.3360296295747154,4.010832305732031,4.709125807389843,5.412176484602632,6.105515999446901,6.7788741316417385,7.425625423003651,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_39,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413132519150129,0.4800574030498095,1.263056158247891,2.6721917823244574,4.159932811172887,5.173186923294137,5.70923910388917,5.960156260688155,6.054303799926327,2.1476376511483046,0.3824147291417578,0.0203263068515139,8.188845765987754,1.8554677085334048,5.45970986652704,0.1523228322482264,3.644496256913365,7.867933478182518,0.5525475185123915,7.700729310682376,0.5274240003337679,20.681269403028747,3.644496256913365,7.867933478182518,0.5525475185123915,7.700729310682376,0.5178868145298838,20.681269403028747,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1883,3.5965753242782017,4.285234361428998,4.989519991256759,5.692389762360107,6.380991465571163,7.046436686613632,7.683204073785181,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_40,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1195983795530963,0.771526069617267,2.218454584095217,4.233701288353413,6.052415496265305,7.208458849830122,7.80287420368765,8.0778376765347,8.180519593152964,3.5338416161737025,0.566256044144671,0.0049540580084551,13.37993422576365,5.836658085675011,8.28806082153644,1.7745985803766469,0.6437795511795216,1.331536225625638,0.0461823626645321,1.0132384524957787,0.1998899702788893,4.14254500918825,0.1819559245342002,0.3152693203640228,-0.0461823626645321,-0.1875029767820569,0.1675623164137168,-4.14254500918825,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.793504573213016,8.59761898530582,9.382186590863965,10.146281894655338,10.888092311437722,11.60531530957253,12.295621468846344,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_41,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171178222045728,0.8994852302036376,2.121906093233738,3.8575736263687856,5.520519649484742,6.613167063755986,7.183339932300095,7.448761793272327,7.54813517790814,3.2409589801375205,0.7079611069753601,0.0233357559077271,10.935167308108504,5.177710987449898,6.657311632958542,1.6498227165252914,1.393885789423804,3.047085769386787,0.2591533013738215,3.4671122004143764,0.1343667362176773,12.152494974595449,-1.1976472243144112,-2.65571738706087,-0.2591533013738215,-3.270873635304984,-0.0470405747439975,-12.152494974595449,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.512143617139811,10.276389351859432,11.020671364346914,11.740532579733523,12.432224070078409,13.092978477750846,13.721030091675406,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_42,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.103366608883214,0.7349459257048137,2.1894673580452526,4.090434630907348,5.717729431103812,6.732449181300175,7.251225580161492,7.490766273939262,7.580164841392102,3.446080590613762,0.5298470537025156,0.0038049769397123,11.603565517786397,5.536404355997869,7.044599592824543,1.7468496738229389,0.5638707913634498,1.1914884613486074,0.0649195920436382,1.0832275277125556,0.1291982670749134,4.117745797690014,-0.0853251290729324,-0.2371009197595143,-0.0649195920436382,-0.6046818654220383,0.0837545526443667,-4.117745797690014,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.895922275871486,8.683016305576137,9.455043500344788,10.209548508777916,10.94365366675574,11.654387532276012,12.339030026134106,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_43,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2185112505688742,0.8990382007203185,2.1224677944742765,3.760682509712833,5.169981316066144,6.02977232731517,6.462103013163091,6.6600253215368745,6.733615898309783,3.199463276325861,0.7083727302060776,0.0236442804524594,10.243558784182078,4.949846670229481,6.218992511034864,1.6383859001576304,1.608369060953741,3.51055651944768,0.2937950967833345,3.9587298352204168,0.1648584256556625,13.917747240435396,-1.329581906879604,-2.954557358719924,-0.2937950967833345,-3.67994268114628,-0.0407981420926714,-13.917747240435396,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.417895620054114,10.195365177296514,10.952461255061085,11.684007484579414,12.386000188674156,13.0556508613186,13.69128264950095,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_44,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1027487707219703,0.7340457538859733,2.173176454282037,3.9535969945233447,5.374270115999821,6.221889823699836,6.646251637792887,6.840407529168891,6.912596543370093,3.365553133123432,0.528885060711902,0.0037473221222527,10.765293207742197,5.209770427541342,6.672647314857022,1.7244796070439397,0.4322898642444949,0.8962891117222165,0.0331246263045051,0.6972868746805361,0.1302603152678531,2.823941847312578,0.1010436011994434,0.1673644850859021,-0.0331246263045051,-0.1639534092365977,0.1070730768546995,-2.823941847312578,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.909926807764462,8.699309808377532,9.474380866249156,10.232210245665906,10.969591294733668,11.683342174483158,12.37062251223007,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_45,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167347108550069,0.8952495542856233,2.166897644568768,3.988400554834887,5.625065839990608,6.64722447214266,7.167157115966141,7.406441191150431,7.495607239144743,3.3526800121425486,0.7042316397601269,0.0234969385434348,12.086033482321495,5.410223939741788,7.340760899703858,1.682606237188086,1.4024093559847073,3.084290843049436,0.2787516551161819,3.632422596914162,0.1014128100703536,12.587079882247174,-1.3851071951771114,-3.049784278642807,-0.2787516551161819,-3.615120436106566,-0.0937133485109734,-12.587079882247174,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.61169451721913,10.383996859210766,11.135927486491688,11.86265830391839,12.56016166959452,13.22551709100138,13.8569184814444,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_46,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1548609908519965,0.7820182447233718,1.9606658605170373,3.709568482868943,5.390136398903634,6.483648939628014,7.050449120761708,7.313420423070162,7.411734846237135,3.084374841879816,0.6019555290033778,0.0094648710624043,9.427380780775778,4.779918968992159,5.327197133797067,1.350237958748737,1.7330233434773488,3.5684514665091243,0.1088217975044611,2.6035977235130376,0.5671545175265554,10.841552667475968,0.6448053684327371,1.1737712250887542,-0.1088217975044611,-0.2257690116029521,0.4909792592734327,-10.841552667475968,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,6.72524818663232,7.505687487762566,8.283910871088942,9.053830871180809,9.810116617617611,10.548054751429529,11.263604516510782,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_47,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1545789234844822,0.7804316188026408,1.884719817541645,3.326166073299389,4.612259560724018,5.426542163814152,5.844568701967905,6.03781375892881,6.109960407972309,2.828658527038834,0.601524914816103,0.0093957927224665,7.314668617099067,3.835042769085188,4.277371355081898,1.2490835140121936,1.703643729694362,3.483123714707619,0.0714927000886706,2.145873624046428,0.6034894473284043,9.558937531173324,1.0569860479430764,2.060119859814463,-0.0578388362615865,0.4509097876660003,0.5520791708836263,-9.244898663150389,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1883,6.778282863345463,7.55886424450222,8.335470410073984,9.10276458651263,9.855946624270567,10.59064835431013,11.303036074561142,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_48,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3400456135299264,1.258785554995618,2.655729666271804,4.501826394316025,6.269159809259426,7.438398666847921,8.050831574586072,8.33639987014806,8.4433884671223,3.84903938180706,1.0152590064180198,0.0403367419325777,12.174893007061447,7.968229817433128,5.825643664220237,2.043829949838249,3.5724352529221304,7.666877773415305,0.5258838680032705,7.779506196948295,0.6037014350442159,28.379853624676063,-1.686403427110574,-3.905470201608025,-0.5258838680032705,-5.893474371136738,0.2355827274419269,-28.379853624676063,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.482522521654737,10.331854999314032,11.159227240205974,11.955951941101022,12.715181843318526,13.432391384772734,14.105240526976107,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_49,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1195845282665007,0.7712371478637506,2.219956439558304,4.257497688060871,6.114838697294127,7.302051374732242,7.914071048153187,8.197497553683043,8.303388858501913,3.5471044845223703,0.5661134975523702,0.00494892678502,13.602230502445394,5.879579044213187,8.436098947902073,1.7780961192437852,0.6196440171243346,1.277353152968446,0.0403159110159257,0.9421713052517408,0.2001492544654681,3.904538305940189,0.2164849069650767,0.3901805667892711,-0.0403159110159257,-0.1060423811623295,0.17192811675432,-3.904538305940189,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.801288406642373,8.605994506841974,9.390573391185796,10.154302792383875,10.895501055452373,11.61195950242743,12.301419355485551,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_50,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166125523424728,0.8963407876448658,2.1693519103843406,3.9833127710620135,5.60516960117576,6.614784179779656,7.127446235326667,7.363192099329765,7.451009412883182,3.351402915273234,0.7048809981371061,0.0233688592116411,11.999002539020925,5.402808481702742,7.274443329362304,1.6871447263774269,1.392764756699424,3.0612571111792444,0.2750668942646028,3.593299910816247,0.1040298899851131,12.465161668789175,-1.3579041859466046,-2.99173293189836,-0.2750668942646028,-3.558439340063428,-0.0885169360001086,-12.465161668789175,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.609069145297395,10.37664024825587,11.124366818496304,11.847508426831242,12.542061118297298,13.20508120996137,13.83471035611693,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_51,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1017960974593338,0.729660310230838,2.162673702812396,3.936329984946033,5.343795076048504,6.177181698755197,6.592311568902206,6.781755251630075,6.852113163923677,3.351059522883104,0.5255246504128921,0.0036988660545618,10.682152380969496,5.155446143867177,6.637528072867428,1.7073983145141145,0.6553609911974553,1.3727205188038214,0.0637252073298769,1.165162649836471,0.1721508773393482,4.551309102584816,0.0181089178986852,-0.0295858055979337,-0.0637252073298769,-0.4916927407403307,0.1275432322084343,-4.551309102584816,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.892645521159398,8.683581662461625,9.461226243530612,10.222096037500611,10.962596627478383,11.67930342296082,12.36924306927534,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_52,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173449055022078,0.8946478873864492,2.104044824087301,3.7191949960886967,5.101801157498847,5.9400534064462445,6.359794699815962,6.551541209828814,6.622768380586595,3.166430627921524,0.7052339406970193,0.0234405368734082,10.032883668682135,4.858768819594497,6.115193956219243,1.6124444499412405,1.6478266442438825,3.56720494816902,0.2724143123938982,3.827141143395068,0.2225060209499683,13.687419469097373,-1.0763164796951,-2.427413651501156,-0.2724143123938982,-3.255630978846286,0.0318160022742397,-13.687419469097373,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.437189986709424,10.217817886370833,10.977092434812675,11.710190225519437,12.413298510473528,13.08373283844265,13.71987753444196,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_53,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025763806374839,0.7320912538109594,2.174838002584772,4.005019885434625,5.5157636795811245,6.438685221235186,6.906398994875016,7.121583410267862,7.201777177204274,3.3932318009173272,0.5275440169647345,0.0037397330762363,10.86604282570904,5.333868225404825,6.607272152902946,1.7248379746383549,0.5872646187328714,1.2168939519237,0.0443087453601788,0.941734581614302,0.1782538577857924,3.822498000867933,0.1441771651310832,0.2418569697253776,-0.0443087453601788,-0.2102927977503473,0.1472377360336673,-3.822498000867933,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.875602182795269,8.66841362355925,9.445873544820786,10.205431492467532,10.94414155627439,11.658989233539687,12.347235923761671,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_54,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173527506646363,0.8998107783172492,2.116081723570632,3.8202622186845496,5.447462626434793,6.518568224112654,7.078426507663731,7.339274926946791,7.436973521211032,3.216550037280742,0.7082729168817707,0.0234136157983398,10.62814520380722,5.063862543573422,6.486643068592935,1.6390749077125637,1.3683028974927105,2.999766002000732,0.2627434441820598,3.4702504509491887,0.1162508315428938,12.096383371104746,-1.2591315443278874,-2.7820401138164685,-0.2627434441820598,-3.361079097784366,-0.0676695793845478,-12.096383371104746,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.543700988425073,10.307918214548408,11.05205713689947,11.771531607433737,12.462569765116442,13.122437288348795,13.749423792407628,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_55,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1546350716444235,0.7826892527596276,1.8834361516418905,3.227457531539722,4.348858954542527,5.032544631167768,5.37739826333056,5.535589121490104,5.594461393038651,2.7757868000509447,0.6023482847273978,0.0094988352921531,6.595156347589353,3.685983566636136,3.729311813317354,1.2474309759696594,1.9350595081876985,4.042214516749308,0.1576614543047592,2.970329346190214,0.5296201639929862,12.150461237727002,0.4774038053693469,0.83456734460098,-0.133869686258911,-0.8433672491833467,0.41687796917507,-11.603250572672495,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1883,6.987917731360519,7.740883438468348,8.491488575970378,9.234765397126116,9.966074302206785,10.681090060026278,11.375945215859728,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_56,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1544356999276418,0.778016559753992,1.8926514894719488,3.432805101015786,4.875507584906725,5.812633282496405,6.299377711392498,6.525539668819722,6.610152161923796,2.8904933865486537,0.6000790629194774,0.0093975329111739,7.82746918784542,4.137088705406244,4.508745047448885,1.2676242316576734,1.9012370243363608,3.937779540802224,0.1416547669925638,3.034475160276871,0.5804477877186236,12.33928046153308,0.4846893544107228,0.8205927326520216,-0.1416547669925638,-0.6485487815297872,0.4812894508238288,-12.33928046153308,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,6.683772771055482,7.481388062585998,8.273418999728664,9.054253994036296,9.81903841197894,10.563493622838092,11.283956118145015,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_57,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1198075317851813,0.7724238073092308,2.223288720482714,4.251105176200212,6.085234151214661,7.251997189896102,7.852081831656358,8.1296943047722,8.233369182607719,3.5461384093279293,0.5669120002305921,0.0049714920112132,13.497364955107638,5.883619372132202,8.348850508390822,1.7823636895747303,0.6457440360097257,1.335899732021993,0.0466145952085783,1.0186607976783522,0.1999537300082437,4.161012084220196,0.1795980839239428,0.310121324867719,-0.0466145952085783,-0.1933186777446836,0.1673235133622389,-4.161012084220196,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.762155788549458,8.571273069008702,9.35936379922476,10.125983962514256,10.86964221586219,11.588253969431609,12.2796383668959,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_58,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171205985573716,0.8993085493300531,2.1209079081487885,3.857066414692174,5.521531600880536,6.615390875570656,7.186235944542543,7.451978327838493,7.5514728679662815,3.2400806942447224,0.7078822310812579,0.0233359366815775,10.936114021739597,5.180774826533929,6.659384650475836,1.6491411066902886,1.3978693399542217,3.0570592718091443,0.2611211857027981,3.486838825576607,0.1324496330868821,12.211770413827072,-1.2133425170737595,-2.689048202597495,-0.2611211857027981,-3.3023120026961448,-0.0503351969050764,-12.211770413827072,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.516197485478786,10.282247285599473,11.027784745940378,11.748473028151466,12.440660805435948,13.101660441661508,13.729770554312438,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_59,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1033959442769194,0.7349972661962137,2.1891387066388805,4.090303859939363,5.71992362561242,6.737237932777756,7.257652674672557,7.498015837537969,7.587731614655858,3.4456417091595712,0.5299109775480597,0.0038062201423698,11.600479360933516,5.533166764623405,7.046059440261049,1.7466806033564046,0.550415548531322,1.1614959789414172,0.0618565578684737,1.0452680114791122,0.1289538730930499,3.9892089000260857,-0.0681500301534156,-0.1996897423644396,-0.0618565578684737,-0.5630024931012056,0.0856542825851184,-3.9892089000260857,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.893860616558183,8.683090825682294,9.45673183309299,10.212435945939491,10.947414669159194,11.658768602745749,12.34383500457542,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_60,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2184912535917435,0.8990820989851929,2.123390900353262,3.763346640976528,5.176061170823297,6.039442939045965,6.474091404332264,6.673195746087086,6.747245577111793,3.201380118725381,0.7083568548962542,0.0236473850956019,10.257566782854482,4.955147994192941,6.226935297890567,1.639813827049169,1.5934867741865295,3.4777555602942662,0.2907684815815182,3.9196346268386746,0.163910711547659,13.782803502563011,-1.314198041628652,-2.920756076517464,-0.2907684815815182,-3.640345894280798,-0.0396272255594035,-13.782803502563011,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.398013435642175,10.178118309849287,10.937426501709467,11.67085496573718,12.374461469284329,13.045501542896003,13.682332281258578,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_61,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1030623683995427,0.7351062356903355,2.174757131202109,3.956907382199778,5.380787614086376,6.231044136594488,6.656893389114789,6.851762382398848,6.924221408118841,3.368030656634589,0.5297950364972518,0.0037664456490979,10.795841328434305,5.2169515841754,6.697532960408463,1.7269339658534502,0.42563973479139,0.8838257436378647,0.0338999025777208,0.6968389554131565,0.125847364648942,2.806196725511366,0.0866407090141818,0.1378407594657776,-0.0338999025777208,-0.1845585116075846,0.1021174328445374,-2.806196725511366,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.890497506971963,8.680827515751487,9.45653395289986,10.214778293479007,10.952434028293696,11.666383525985813,12.353833612260798,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_62,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169855790458251,0.8963764692193853,2.1722073309646093,4.00196267577036,5.649371228777648,6.680393468681162,7.2055033722442525,7.447321324914333,7.537455814861647,3.363039815201604,0.705021425073629,0.0235230553493728,12.170018711695665,5.4415680709822105,7.38673518031535,1.6901376808018058,1.399366184404686,3.077545751801058,0.2780960436208891,3.6241345333718,0.1012878702709179,12.55875179444121,-1.3815942518042057,-3.04210229801929,-0.2780960436208891,-3.6063626007713183,-0.0933793602637042,-12.55875179444121,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.593942062288974,10.368067722341731,11.12138054165459,11.849153759435312,12.547445940855644,13.21340628932665,13.845282347138513,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_63,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1549166756321527,0.7824655479666498,1.960753566890244,3.7059260409635097,5.384801258597873,6.47872799365711,7.046187946220196,7.309562498326122,7.4080429954364035,3.082007312368236,0.60223741317049,0.0094730407311668,9.417556991737465,4.769807618497877,5.323300075282592,1.3497365174789555,1.744705974450519,3.5959758108380413,0.1128608150481899,2.646921188472473,0.564673604694801,10.978732254125696,0.6164511431073377,1.1131923852161418,-0.1127901512204462,-0.2866120368475413,0.4856639677782938,-10.977106986087591,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1883,6.716555917356771,7.503008230055626,8.285812310819473,9.059115994802497,9.817818730594976,10.557413603428037,11.27403495517794,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_64,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1545535005108959,0.7811394903755289,1.8881631299659087,3.3315277163118706,4.617968570486411,5.432243930396527,5.850250212034978,6.043486141545989,6.11562965575391,2.833617279182709,0.6019168004113272,0.0093740286535841,7.341192426407213,3.845580408804704,4.291633412614188,1.2533310184031257,1.700144167266404,3.4757761637940168,0.071637846386998,2.1492508372764894,0.6025669690487713,9.561489460814284,1.049026809231107,2.042958559334728,-0.0585856252200613,0.4432934852177802,0.5511152544611789,-9.261288373974738,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1883,6.777154814949162,7.557327305131015,8.33322007450277,9.099708954878247,9.852114365347228,10.586130658595788,11.297950754103692,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_65,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3401650606913342,1.2598487850975226,2.6638363094937274,4.524071011898387,6.305010805978469,7.482692333526123,8.099347009741903,8.386836987039727,8.494537951936467,3.8661297978028455,1.0158336191059518,0.0403698207006936,12.329256851703954,8.03734014074459,5.900135148021246,2.059536168784509,3.5732004076851327,7.668918725250722,0.5263833446657906,7.784267165011458,0.6031054101715264,28.39366893174148,-1.6906330389727746,-3.914420493459229,-0.5263833446657906,-5.901699796299099,0.2346370689054733,-28.39366893174148,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.399149120822218,10.271317360183868,11.115576719022274,11.9247951111881,12.693277736407484,13.417346365851843,14.0952814944825,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_66,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1193660414625376,0.770827643984916,2.221114946395049,4.262180318712315,6.123023766870909,7.31253944455218,7.925764194946456,8.209752938913068,8.315854985726936,3.550495842470016,0.5656644473451492,0.0049305503842679,13.65345419384587,5.892194956461501,8.46430739490349,1.7789488473839523,0.6194977393873135,1.277345681449486,0.0405916188033073,0.9442306898137726,0.1995672087711531,3.909321073002714,0.2135815513542396,0.3841060020409297,-0.0405916188033073,-0.1111513990722194,0.171153075608838,-3.909321073002714,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.803776055769753,8.613427151727654,9.401861733066992,10.168532759770931,10.911916533718438,11.629942721235006,12.320471097287022,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_67,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167055212935031,0.8967287788394495,2.172237642522905,3.9908513077025134,5.616308327498535,6.627880467206954,7.141470251833819,7.377630012537674,7.465599624825834,3.357370440555737,0.7051298262176813,0.0233879284758711,12.051782304548778,5.4204378343224295,7.304954928122852,1.6912130596113204,1.3941076864266613,3.0643061366700284,0.2754264965858873,3.59751965911376,0.1039532393613255,12.479068363851052,-1.3601572794322117,-2.996597142480648,-0.2754264965858873,-3.5635692521193105,-0.0888453082487954,-12.479068363851052,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.61003882879716,10.37779690541518,11.125557631333452,11.848625129422755,12.543035359179434,13.205876081174251,13.835311709490206,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_68,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1020098850829979,0.7303497705045537,2.163607883790725,3.938537723529702,5.348558928260416,6.184080223091773,6.600420047245754,6.790444784412884,6.861022846388655,3.352625286744393,0.5261255447105978,0.003712857953584,10.705007317982696,5.159256810198695,6.65742987558989,1.7089578274790862,0.6313102102970685,1.3188210749342015,0.0579699101155596,1.0950694912215455,0.172239462115521,4.315949253796536,0.0516111091414716,0.0431630584880506,-0.0579699101155596,-0.4121481717830059,0.1316605250346293,-4.315949253796536,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.901438222390969,8.69046443195954,9.466396763466198,10.225727761413737,10.964852267673765,11.680340298037736,12.36921357137961,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_69,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174736434793023,0.8951278447435063,2.105959299995033,3.72330216430994,5.108248891150425,5.948305481909803,6.369078334597175,6.56132580668828,6.632743882673229,3.169757730326749,0.7055809071917217,0.0234620842597659,10.053498345104416,4.867792901858532,6.125227799393345,1.615103357323221,1.6513634625835003,3.574335823070286,0.2724892110327565,3.831277150845553,0.2239394701632391,13.706601533572632,-1.0735286477440649,-2.4219309600952585,-0.2724892110327565,-3.253442336006117,0.0331970224403097,-13.706601533572632,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.454033812518777,10.233117284259333,10.991035537461077,11.722909081217733,12.424898736023064,13.094307819153082,13.729514339696191,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_70,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025537208317806,0.7321308816301364,2.176420750288632,4.013903982189061,5.536006796550653,6.467814396844678,6.940473143230259,7.158018030847587,7.239104230208291,3.398864893108528,0.5275316018449356,0.0037389715706401,10.934285255598954,5.356722335798552,6.642552302618128,1.7272845092230489,0.5909894360903103,1.224202001711438,0.0441918311604425,0.9445240853738504,0.1801306156343583,3.838783803660402,0.1490711244858851,0.2517377772736969,-0.0441918311604425,-0.204463524797655,0.1491963338220486,-3.838783803660402,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.88554321458619,8.677000609870799,9.453561813531827,10.212533521664064,10.95085971714338,11.66544753239997,12.353505588764254,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_71,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172889851409507,0.8993873951949289,2.1157395717343497,3.827089531248715,5.46558783787348,6.544917109057135,7.1091461314481785,7.3720343707838785,7.470496733209152,3.220024480220067,0.7079919656454096,0.0234071262953091,10.697584843331583,5.079671124301688,6.530179212308988,1.6385133154250044,1.3689046405724443,3.0012047108124023,0.2629748895614477,3.4727037570640262,0.1160846471270231,12.104020994091172,-1.260844255042033,-2.7856944809298265,-0.2629748895614477,-3.3646433715336146,-0.06799777556599,-12.104020994091172,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.544614192258916,10.310459091568353,11.055959654700995,11.776559813058418,12.468511828031104,13.1291042665771,13.756649287063745,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_72,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1546476348593556,0.7834501477496203,1.887028816072324,3.2343949731522046,4.35759103178585,5.041872398648543,5.386893721659571,5.545133682304385,5.604019920498904,2.781719049862108,0.6027941804666112,0.0094852559863647,6.621474444915486,3.698793356249893,3.740915005485732,1.2520986624154873,1.9354423183207856,4.04314289168958,0.1574215873041506,2.9642434052070827,0.5295182813093658,12.133928503046215,0.4825799250408105,0.8460436464325435,-0.1331508913518445,-0.8374695132731595,0.4168961006012299,-11.575702496143174,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1883,7.020713790632755,7.769298163567226,8.516436335165727,9.257223883507905,9.986915931016188,10.701013119301654,11.395463111399108,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_73,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1544023164758065,0.7780680234155527,1.8973713112177388,3.454207983945035,4.916337163215689,5.866309322082921,6.359644146923242,6.588839296757008,6.6745813409143695,2.905194927636068,0.6000304518295722,0.0093941719990459,7.964852976560617,4.192578288772469,4.580935950274075,1.2733227944636512,1.8815120113848656,3.894365169112376,0.1377015637161317,2.98312452111392,0.5790824130985182,12.161591331246964,0.504496374223548,0.8641706547257638,-0.1377015637161317,-0.5971161355055058,0.4826913184972261,-12.161591331246964,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,6.7550184630162615,7.538519316082408,8.319491008621176,9.091610722937297,9.849503142720662,10.588494627214828,11.304615603410944,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_74,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1195562819059636,0.7715273672846549,2.2188024259890384,4.232260040329554,6.047011686392429,7.19981493467082,7.792423966646125,8.066527237374201,8.168884421759957,3.533384872694962,0.5662087903164132,0.004950517929795,13.3662034662055,5.833801284912693,8.28110836165826,1.7753833592309822,0.651711108481402,1.3492731260599136,0.0480432555067642,1.036057152535516,0.199930339199041,4.219420652542295,0.1712785534137598,0.2920563061407027,-0.0480432555067642,-0.2130674906403541,0.166300060344306,-4.219420652542295,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.769246307529673,8.579048748064356,9.367810437414418,10.135053469306785,10.879258225002893,11.598321969606044,12.29005586574026,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_75,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170864120609948,0.8993488368528102,2.1193494519878824,3.843846720165104,5.492360628912533,6.5752538944941135,7.140427460420767,7.403555968168341,7.5020769649947905,3.231959157156552,0.7078775997594338,0.0233285908733299,10.824878093906769,5.141856771663229,6.5989189268143225,1.646780120552745,1.3985642857524565,3.057806468588077,0.2605016297588431,3.482577323823201,0.1339205513620122,12.202854023939144,-1.2064520118359747,-2.674667355102741,-0.2605016297588431,-3.29046504990672,-0.0484305894691778,-12.202854023939144,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.524511714746128,10.289286836869692,11.033796651438848,11.753664142677062,12.445198789784714,13.105678273842178,13.733372173032125,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_76,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1034353254351876,0.7352410881497619,2.1880945097255338,4.081077295654606,5.700570031060345,6.711354191685925,7.228511169993776,7.467399370190109,7.556570025767251,3.439863699854393,0.530086823506429,0.0038102111516498,11.523597938974168,5.506847405149926,7.00464750311973,1.7449349254778157,0.538618762531186,1.1359255889245483,0.0598745500727225,1.0176151631129664,0.1274205679400229,3.890584814110381,-0.0601267381960396,-0.1816450201917493,-0.0598745500727225,-0.5391231387778201,0.0855083828891172,-3.890584814110381,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.9118058337532275,8.69802042555145,9.469041031729994,10.22249372466586,10.955553658373145,11.665282372113884,12.348979050639024,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_77,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.21864105535631,0.8995349354582589,2.124147165896491,3.762661716677064,5.170713284035853,6.029312941660181,6.460972290502667,6.658576473036584,6.732047402267117,3.201580944298162,0.7087369064900921,0.0236631947715037,10.244504797522012,4.954197353679423,6.218154436653742,1.6408152209518012,1.5846978115575494,3.4585899152874378,0.2891803520893476,3.898140628272331,0.1629773659755826,13.7070960995747,-1.3071057093359268,-2.904974106221744,-0.2891803520893476,-3.6205485260507073,-0.0394488804869605,-13.7070960995747,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.440100153832784,10.215644218010954,10.97093644987693,11.700822094235292,12.401301172878757,13.069580608011313,13.703975151395968,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_78,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1029405327279464,0.734675366218261,2.1741053940403625,3.955299999461554,5.377181293367267,6.225689904692771,6.650521900887731,6.844896079500027,6.917166596554731,3.366905215231148,0.5294286447821357,0.0037591583333324,10.777453807180413,5.213962836717459,6.682663572083996,1.7259703570046647,0.4326715813531078,0.8969297708714853,0.0330076358133429,0.6967326678598511,0.130649536552115,2.8235106230323974,0.1025952232196785,0.1705795808282513,-0.0330076358133429,-0.1614658632870647,0.1075441914827749,-2.8235106230323974,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.917079082414747,8.70688291932207,9.481878843566554,10.239323721965128,10.976143529372036,11.6892478696372,12.375857186292636,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_79,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167299514107117,0.8952722214983688,2.1671210735807023,3.9901832811079023,5.629740677089897,6.654350020670108,7.175698494887112,7.4156698927794675,7.505097627911155,3.3537161969248617,0.704248348533111,0.0234910770628763,12.105990287677493,5.41445263754701,7.354434698170147,1.6827754058111424,1.3981455291943956,3.075119280109885,0.2781037467735929,3.62297550338314,0.1007302352910194,12.55280258144384,-1.382891938541533,-3.044698281591348,-0.2781037467735929,-3.607721912730276,-0.0939423874504954,-12.55280258144384,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.61347414329596,10.387671485335572,11.140824215376323,11.868307840129098,12.56623501217073,13.231783911749272,13.86321874890067,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_80,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.154868237395389,0.7815522358838067,1.9551810284886144,3.6960736774384895,5.37315852677772,6.46641313265937,7.033595746245569,7.296851403625979,7.395288633393924,3.073274746143102,0.6017683475025922,0.0094680934050927,9.344261912029609,4.732363871531707,5.294941858977415,1.34478114846564,1.7253060030784404,3.551142146324373,0.1069612507006594,2.580996008683716,0.5672088263061695,10.765755029405389,0.6556934960718461,1.197404204805999,-0.1069612507006594,-0.1999965095334292,0.492335950815708,-10.765755029405389,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,6.752811293633315,7.530464128633944,8.306567140329799,9.074785946434687,9.829643200640092,10.566338107908996,11.280777265456738,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_81,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1547338690048874,0.7812822919687701,1.8872975778292205,3.330456405882454,4.618377988908711,5.434018291034472,5.852780238505119,6.046370950291126,6.118647341704112,2.8323549225450275,0.602131014962711,0.0094039418936596,7.336718823475866,3.8445844277936194,4.290085462728332,1.2521663450681606,1.7277378778811163,3.5370000691784567,0.0754626737109217,2.18262085805812,0.6037357106241836,9.701487635092908,1.051436619461568,2.0487639823608017,-0.059797577972988,0.4085724904293594,0.549345329452745,-9.341190433120431,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1883,6.750793617016378,7.537162031616277,8.31817345097618,9.088752428803582,9.844343746875012,10.580790852416598,11.294432770639707,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_82,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3400768167135286,1.2591958330475463,2.6591847478353694,4.509782564894313,6.278640530774597,7.447685481732202,8.059741347870823,8.345080814577175,8.451975797324964,3.855720699630116,1.0154825747152787,0.0403366375353425,12.240495379158018,7.999847451197959,5.856037495112342,2.0508483590870616,3.572842720715018,7.6680314150167295,0.526214619604789,7.782559677553331,0.6032625989592033,28.388505995670872,-1.6893034753328722,-3.911594920988848,-0.526214619604789,-5.899020432171185,0.2349123652358515,-28.388505995670872,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.4467257000959,10.310912855140495,11.148753207606813,11.952805343713774,12.717117090434204,13.437804267901024,14.112985733203498,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_83,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1195048523323414,0.7709616067592263,2.220981671448745,4.2659646755200855,6.132729842006623,7.3263357597255165,7.941675221990945,8.2266386618639,8.333103785091287,3.5524414113657974,0.5658832193931805,0.0049423850086234,13.680151404115469,5.902430243533621,8.477537059886354,1.7791232047910537,0.6254184805163384,1.290382810685964,0.0417837499812849,0.959688480366618,0.1999666926148613,3.962767402207391,0.2075809807034887,0.3709096647977981,-0.0417837499812849,-0.1266890191467909,0.1707180676279618,-3.962767402207391,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.812317056691618,8.620847661623369,9.408160861046476,10.173747293162732,10.916112626924887,11.633205881018972,12.322897047536657,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_84,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167186859757761,0.8965554455128963,2.170755113603396,3.987913630831618,5.61353782706878,6.625904842707864,7.140082235496647,7.37655113767772,7.464641974152905,3.3547581983016164,0.7050455416142913,0.02340194631712,12.03514949098314,5.413398677844175,7.294722252471415,1.6890198949340682,1.3863272918426663,3.04700667575424,0.2736974823404416,3.5759071505661986,0.1037328654816584,12.405586106022165,-1.35064753156175,-2.9758487458379945,-0.2736974823404416,-3.540227390285282,-0.0878553721566505,-12.405586106022165,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.601027465146156,10.370702956375906,11.119943555553808,11.844173469096017,12.539506714301051,13.203085328972046,13.833113448477302,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_85,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1017719584697892,0.729377395702297,2.1615864303307224,3.9351493139794655,5.343435870037672,6.177628949066522,6.593233355566639,6.782907736745825,6.853353445340092,3.349767975083928,0.5253537889012342,0.0036966514998745,10.680316077917547,5.150744264104687,6.641228510584335,1.7058758147403918,0.633068009611319,1.3192405649378889,0.05497655693888,1.072880465122359,0.1786342200166369,4.264871186834194,0.0833024402225189,0.1094528416882258,-0.05497655693888,-0.3565100152885211,0.1401506301594209,-4.264871186834194,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.893593377165449,8.685899720609287,9.464400607322505,10.225761724367349,10.966496721888111,11.68326041727011,12.37313773459187,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_86,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171778737180439,0.8940464778195829,2.1017467607257725,3.715423136347944,5.0983772232567,5.937471291936655,6.35778164829087,6.549817044894169,6.621155869062833,3.1629373195690804,0.704790234366604,0.0234152142330103,10.019155850066802,4.850794477931454,6.108666754214855,1.609293195216991,1.650951878536664,3.57175513535266,0.2707822973521725,3.817210257354045,0.2269567784134919,13.670405339726772,-1.0568710949850613,-2.386950124676521,-0.2707822973521725,-3.223129473802442,0.0374091702669713,-13.670405339726772,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.46173878503715,10.242752394244889,11.002000783936158,11.734777178036593,12.437354752843946,13.10711357694084,13.742486746473094,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_87,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1023996220165278,0.7315171793692795,2.1751072539550265,4.010555172514421,5.528166525039432,6.45572898235489,6.9258185740460485,7.14209183230261,7.2226900990273615,3.3965224178857056,0.5270452108127187,0.0037276773819955,10.90355838289752,5.3511377549078745,6.621626672666151,1.7253437744880369,0.6121763506868415,1.2698341575223735,0.047468261733709,0.9919224445565136,0.18341548530494,4.010246988108388,0.1374937333497513,0.2252703745760052,-0.047468261733709,-0.2422523605199207,0.1501877020913437,-4.010246988108388,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.883134272563444,8.677205453516983,9.455919696469577,10.21665023055602,10.95639660184164,11.672113315633366,12.36105046149726,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_88,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171877732623737,0.8993494039383862,2.116313117930594,3.829569839765688,5.471278437181634,6.553250010600728,7.118979758343727,7.382590281718411,7.481326608902078,3.2216439646306547,0.7079020104499951,0.023380093053811,10.712417826901962,5.085986899153779,6.533897452816023,1.6389174673605065,1.379036730872842,3.023494347695897,0.2649949500777344,3.498996331494717,0.1168058138426623,12.195082655918895,-1.270912769904503,-2.80785732613869,-0.2649949500777344,-3.390872370526379,-0.0686906512117515,-12.195082655918895,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.547694097360218,10.31246976995842,11.056943099035813,11.77658702998407,12.467673908394456,13.127503430775128,13.754391301562736,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_89,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1544945904694706,0.7830217261313152,1.885691269387367,3.23049626520733,4.350767224888579,5.032993627423873,5.37690091121604,5.534612102115594,5.593298673480036,2.778821756875685,0.6024350658600731,0.0094651236089705,6.600494516605969,3.691047049709535,3.729770986051411,1.2502792086266128,1.9562893844212377,4.08960943685195,0.1618304981241071,3.016558670295984,0.5299250279878495,12.314932787234,0.4613395079791711,0.7998944963476086,-0.137159477164306,-0.8949820294131894,0.4141765772049943,-11.747499305158572,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1883,6.974027890325646,7.734651184991282,8.491011820272902,9.238773001037991,9.973683054504992,10.691651080720115,11.388951585864998,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_90,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1543609781094491,0.7778187440273594,1.8945225131671253,3.443616294686984,4.897147369296204,5.841226005808605,6.3314165168389644,6.5591313077613655,6.644316329109723,2.897602878505157,0.5998729058206034,0.0093935502320229,7.895486901785445,4.170077999825628,4.540573271184325,1.2701074069811666,1.918245635770241,3.9751544419191553,0.1450046636024607,3.078282944589928,0.5817355636631438,12.491321450900426,0.4681989997456346,0.7842514169219325,-0.1450046636024607,-0.6918383090740515,0.4802322991414214,-12.491321450900426,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,6.702251578368181,7.498599012603815,8.289635540782134,9.069646220734668,9.833716681019412,10.577532601003156,11.297408440005505,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_91,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1196382519658327,0.7717580959677249,2.2196626007698383,4.237073830772041,6.058059077133393,7.21568849894232,7.81096925731061,8.086345231853562,8.189183212742623,3.53640761858852,0.5664135676760964,0.0049569841845646,13.397919108294822,5.846102239875046,8.297777741050691,1.776789600353284,0.6464626396426975,1.337713054548045,0.0469833359294584,1.022329327078365,0.1995821197732658,4.171979916802656,0.1766292803481131,0.3038203160856284,-0.0469833359294584,-0.1992374070875544,0.1666937846226449,-4.171979916802656,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.801795792560549,8.6074839371878,9.39260446991566,10.156646037730052,10.89805397928156,11.61468725132927,12.30431721344032,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_92,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171094558883023,0.8996201635462459,2.121160059660478,3.850360732478773,5.503948136904174,6.589916281593105,7.156571908893432,7.420359755268337,7.5191225426601775,3.2366196380733143,0.7080550411773583,0.0233198365942891,10.866091059433233,5.1587309748171695,6.617437744665829,1.6489700669014744,1.3940126859861657,3.0482533032779484,0.2600402546836986,3.474334723455754,0.1327601677319083,12.1708685236048,-1.2063898608508214,-2.674067721969276,-0.2600402546836986,-3.28671189832041,-0.0492680105466804,-12.1708685236048,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.52566209087182,10.288889556751068,11.032177063607673,11.751077028082616,12.441848602737393,13.101732237373971,13.728968690405312,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_93,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.103279978900428,0.734550295370298,2.186734695941708,4.078885789476076,5.695987246023536,6.704281686555039,7.219886922540822,7.45799913652447,7.546870910322716,3.4381132826724623,0.5295541905495265,0.0037991740044704,11.512061976786873,5.503251982934337,6.995324577867579,1.742872830691485,0.5486157364476963,1.1586159178416195,0.0625446153355993,1.0489726591324908,0.1268628489649761,3.9939709889504673,-0.0768304169082966,-0.2177108658182176,-0.0625446153355993,-0.577187339593091,0.0830816182300567,-3.9939709889504673,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.879568838660866,8.66858250145591,9.442289937002185,10.198264092047898,10.9336532592581,11.645509196407676,12.331132355558058,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_94,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2183059543296397,0.8982551578863391,2.119688307787362,3.754742622124579,5.161033067248036,6.018847666946172,6.450149067605298,6.64759305287954,6.721004705551443,3.1946405317334854,0.7077893009648161,0.0236189980386128,10.210898721516331,4.93595253903528,6.20241981217555,1.6345247609420563,1.5894427789305443,3.4690447340057853,0.2901422176755358,3.910580520334831,0.1632853784824624,13.75005824816344,-1.311979397824814,-2.915685639897572,-0.2901422176755358,-3.633117139229101,-0.0398141738904124,-13.75005824816344,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.43784977305473,10.215018812487122,10.971851942307309,11.703145905768627,12.40487246655356,13.07422658954668,13.70952312310278,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_95,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025876422074578,0.7332930712336776,2.171349056636074,3.951247594628078,5.372031487873739,6.219872760217734,6.644378780416027,6.838607044681913,6.910823924993458,3.363282259947023,0.5283172825170975,0.0037361496152143,10.757102240582585,5.202067160532719,6.670913592394526,1.7214232767577535,0.4319999863939107,0.8962495968675454,0.0336470296145038,0.7011762233099413,0.1291518134180956,2.83294052425963,0.0955296902488724,0.1558292137449891,-0.0336470296145038,-0.1736465466671581,0.1055988926879429,-2.83294052425963,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.909723688985818,8.700259668302914,9.476420287789736,10.235237453906349,10.973482894250203,11.68796649199337,12.375849172815466,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_96,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166546554814882,0.8952286415918681,2.1673968537800947,3.989828949250736,5.628118380571359,6.651842962187367,7.172746340639249,7.412516880811124,7.501870591401847,3.3537180394674,0.7041652313063272,0.0234731833929856,12.092048085341032,5.413563171381878,7.342070799450574,1.6831602622769888,1.3991469344533458,3.077271582275717,0.2782542298801048,3.625180773494185,0.1008937048065423,12.560819269868825,-1.3833953643477024,-3.045857438435528,-0.2782542298801048,-3.6094292033885407,-0.0938842561095308,-12.560819269868825,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.625717637532796,10.397592608993245,11.149046747159458,11.875262772091093,12.57222613897089,13.237029195455396,13.867877011277368,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_97,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1547973410372269,0.7813582932961973,1.953491919301784,3.690070196081692,5.362736178677129,6.453029465229596,7.018636015568668,7.281149327283848,7.379307113408469,3.068884586780656,0.6016120847049857,0.0094594766693879,9.326296429790212,4.721596407275308,5.282263878490513,1.341834324873838,1.7276011528896995,3.556783939436472,0.1079936956682274,2.59155071823552,0.5662943336579901,10.797879677813048,0.6476641962074255,1.18032650953538,-0.1079936956682274,-0.2162853691383937,0.4906987466902309,-10.797879677813048,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,6.711938084829658,7.4984463868801985,8.281395201843686,9.054948097504148,9.813987644232183,10.553979017177442,11.271028458018195,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_98,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.154400121328442,0.7801786148461272,1.885418315729588,3.327841053781868,4.613690423709667,5.427131464222433,5.844511682429625,6.037409085485276,6.109418071795947,2.8301132270866325,0.6012168301566191,0.0093746963345857,7.322533735272047,3.8371601491911074,4.278393608872687,1.2493070279397052,1.7022833661003185,3.480394477854148,0.0720240438438389,2.1549892129111274,0.6028756573190852,9.581438195558665,1.0470358244724036,2.0384881896297573,-0.0590254644817439,0.4383470253164545,0.5511589686921886,-9.282470870230478,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1883,6.781788652018515,7.560886180385518,8.336788617807048,9.103829789654196,9.857007166143758,10.591830735403509,11.304394946371788,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_99,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3402771296428272,1.259371400287478,2.659629621546697,4.518851740096849,6.301983819065408,7.481636923660913,8.099372442545105,8.387369611825374,8.495260679896896,3.860680901717712,1.015732373220791,0.0403833783452237,12.310143896548638,8.013288587233133,5.900437545044875,2.0495728648745377,3.57169924125539,7.665422617964045,0.5258961951546129,7.778868802492295,0.6033507964437493,28.376420109369214,-1.6872627102907394,-3.9071966224346935,-0.5258961951546129,-5.894432271527644,0.2352234598355205,-28.376420109369214,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.45278148098929,10.312697581661514,11.147633408399097,11.949744521058378,12.712789329114823,13.43267712346273,14.107379957786042,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_100,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1194028711976492,0.7707875634742734,2.220870151061503,4.266653415966478,6.13707785253019,7.334661181430699,7.952511444485513,8.238737023689817,8.345689307617441,3.5525504611862355,0.5656919436627867,0.0049336263808586,13.677100213578637,5.902415893284528,8.47627923054852,1.7793591812820886,0.6205704407035595,1.279365281903227,0.0404754788858334,0.9443742717902274,0.2002623232021462,3.912361781234466,0.2158156518452247,0.3886813217714406,-0.0404754788858334,-0.107988179241443,0.1719294879820627,-3.912361781234466,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.811022306120275,8.618027152828573,9.4045396833374,10.169818866363954,10.912198276939485,11.629503580907874,12.31951898251902,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_101,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2164982222376078,0.8958846167564058,2.168877767690012,3.9848666897959832,5.61107555290978,6.624779011236991,7.139933945079932,7.376920176276844,7.465214618146097,3.3519446879464674,0.7045080865239538,0.0233691984595073,12.016037108435013,5.405376196456496,7.284174665584908,1.6863868101473314,1.389315055971147,3.053483760053461,0.2742003260660945,3.582917664499904,0.1041195885332331,12.430581801177627,-1.3526882046897983,-2.980436999200504,-0.2742003260660945,-3.546290813218554,-0.0878206397130328,-12.430581801177627,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.640402099332128,10.406888913286172,11.15361810239794,11.875788448595484,12.5693698394016,13.231410935479737,13.860054996582925,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_102,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1017876286725587,0.7294612424588603,2.161855515164976,3.9355199089492063,5.343729328215506,6.177818248585333,6.593358037554627,6.783000582834411,6.853434127831363,3.3501287668155,0.5254135214245216,0.0036976128029229,10.682486834926005,5.1520429122801,6.641814424043809,1.7061336072013844,0.6389035139429653,1.3340550409775411,0.0580574562277652,1.1033631637650876,0.1754543332775596,4.355666694270131,0.0583289516653124,0.0564705268083274,-0.0580574562277652,-0.4061306981568098,0.1348141139181239,-4.355666694270131,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.909180200260607,8.698391758522238,9.47469423650805,10.23445768083079,10.97400561298094,11.689867942123326,12.379045874367376,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_103,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173398045354817,0.8946441891814456,2.1036691560285474,3.719252052587759,5.104200246958612,5.944894403351493,6.366152903833004,6.558657602797644,6.630176770573698,3.166100572222748,0.7052458998485769,0.0234333021190829,10.039546732267498,4.859088805379243,6.119929173668076,1.6118015724834518,1.6460241232339867,3.5630035233091943,0.2718259892120276,3.820632036930208,0.2228070050665722,13.666640400410486,-1.0722357688862894,-2.4186687188158644,-0.2718259892120276,-3.2468436825825107,0.032528812618153,-13.666640400410486,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.461802919364164,10.24168193119929,11.000140088327951,11.732317288976825,12.434414094705827,13.103777296764022,13.738824578680823,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_104,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1026723888918443,0.7325361122193785,2.17777594353441,4.020036875599817,5.549492065884395,6.487002434171386,6.962825743580106,7.181879875072228,7.263536508845444,3.402870710850452,0.5278768709767084,0.0037455375436145,10.970521093519933,5.372590696337576,6.660086726269612,1.7292758506224375,0.5900837612953719,1.223537639059294,0.0452993566695466,0.9524786146517448,0.1776509800210405,3.8564059398677912,0.1370901945999057,0.2267017398804527,-0.0452993566695466,-0.2253046587564671,0.145941430352358,-3.8564059398677912,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,7.876609141573311,8.66851047220394,9.445408133667124,10.204620314569391,10.943118845704818,11.657838559019169,12.346009935614344,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_105,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174575986509696,0.9000525027820597,2.1191607072677408,3.839931143839127,5.4912475459395,6.57999235931596,7.149318044255892,7.414610621916085,7.513977666993945,3.2288924634201166,0.7084736453170906,0.0234347838268762,10.773480567646065,5.110670596837912,6.567280841554491,1.6433289523538697,1.371532016410347,3.0066703791383023,0.2631938605933279,3.477082901156971,0.1168432586901144,12.121537293918294,-1.2604065895229324,-2.7850473840253875,-0.2631938605933279,-3.365957474269556,-0.0673924437252149,-12.121537293918294,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,9.517506091726236,10.28436382135489,11.030720628431128,11.752067660745972,12.44470021607662,13.105939530416745,13.734119572525216,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_106,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1546624857846064,0.7832937605003173,1.8858980310245803,3.2306405780771748,4.350784974887173,5.032966632980964,5.376877027166222,5.534597103033586,5.593288290346058,2.7790017058860803,0.6027086294741786,0.009493149398691,6.600269548351941,3.692246374763343,3.729025950118989,1.2506264023368638,1.94579285427338,4.066417403190642,0.1601487459101394,2.9983957960150693,0.52932576988586,12.246178112951409,0.4646143559822091,0.8070070964190109,-0.1360869537480946,-0.8767300917040185,0.4148154685325579,-11.69275689322438,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1883,7.04802727402886,7.789038567311786,8.530635464170311,9.267250887896203,9.99373427394031,10.70532864445204,11.397810401053457,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_107,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1542694530921708,0.778272493732119,1.9000768324315465,3.4586668257128483,4.920708342163072,5.87037057991928,6.363548653026978,6.592678714775296,6.678398075185728,2.9093526444590543,0.6000208855877645,0.0093705436366345,7.97476794860334,4.209514530305862,4.575935187656371,1.2761381591382497,1.9016817125091563,3.938895843579946,0.1418773050089815,3.036700152581008,0.5802284151747341,12.345954662725411,0.4829086624193407,0.8168119706587017,-0.1418773050089815,-0.6521097776525119,0.480914301668447,-12.345954662725411,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1883,6.768860885575314,7.548334716542966,8.326995558266752,9.097892161079578,9.85523497308542,10.594078031899429,11.310274417099658,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_108,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.06922960243771,0.3780769068515314,1.3629291292414216,3.226933157833399,5.081762502132434,6.284611110442079,6.905100095208539,7.19222772419759,7.299449096849064,2.543173921801382,0.2756640254349849,0.0048620563670178,9.22252591985363,3.0393502172525344,5.602398048887352,0.4999308399154232,7.390704478422065,16.222243465681156,0.7586414350067829,6.542820892616285,1.0017839190275957,25.967674934567903,1.560726783279167,3.869895014389924,0.0551250433296927,-6.542820892616285,-1.0017839190275957,1.3446012258697464,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,15.07148019412548,15.85013453990742,16.54180512094533,17.160291936851802,17.716412344840684,18.21874489601774,18.674190005745988,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_109,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0634903770741901,0.3784226510842272,1.24638576658095,2.713144067513619,4.154168069104426,5.095466453959388,5.583696598031961,5.810238190677219,5.894933939788085,2.1817268935410903,0.2746960005561896,0.0039295846545391,7.256561966843959,2.151335057604258,4.513556172288941,0.2950970662940338,9.916324933457863,21.8412369817384,1.0695229925497174,8.97305919654105,1.2199777746937095,34.49426341508385,2.3770805313021484,5.752205649767429,0.0480593224284654,-8.97305919654105,-1.2199777746937095,-1.256965039159966,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.085413817430627,14.948714105304251,15.73099264123827,16.439114954303445,17.079972754591626,17.660148872323,18.18575259178732,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_110,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686893919244398,0.3817572828800944,1.2938005207591974,2.8870402810464943,4.429497872663672,5.419523442746077,5.927898891482887,6.162666698371016,6.250260899027966,2.310651149609813,0.2786627205778027,0.0047372341712346,7.391507048846916,2.201057161175613,4.731164490103208,0.4557987593705069,6.555811585270793,14.389148454115409,0.6221432977823633,4.885497597764811,0.9198849258829612,22.221326750845027,2.0467841873661192,4.920003400897065,0.159910863366447,-4.885497597764811,-0.9198849258829612,6.043191546287962,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.8344840723156,15.635827662534895,16.348189719098414,16.98537898898346,17.558311282169644,18.075702157681263,18.54460296934192,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_111,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.063739960605561,0.373027226507287,1.1579932445596133,2.3573976498382283,3.484909819708264,4.213754609028648,4.591081511605019,4.766117078895205,4.831555696724445,1.9328273854315168,0.2725826372395555,0.0039706828485086,5.678674173306375,1.5214816307283066,3.718078373673176,0.2082522938850338,6.739050068366043,14.80993395587684,0.7172977485301246,6.252259465391166,0.875797428026921,23.808211520487355,1.3170556379133236,3.2725812004640167,0.0150754974952723,-6.252259465391166,-0.875797428026921,-0.7695672657324759,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,13.747364574465289,14.645272961488764,15.457732802125,16.19220375801741,16.856101651113473,17.45647080591474,17.999822816628733,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_112,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0786591445776717,0.579644489088457,1.9471210078740933,3.983209025345642,5.7885645636066085,6.912710110166991,7.4846533374768125,7.747987579745996,7.8461385897508995,3.276838392357398,0.4100995301679042,0.0031133327205271,13.157561948674788,4.857941956569618,7.925983061209254,1.1442989219809725,5.058831256525813,10.730075547561368,0.6217160174092549,10.032559395799852,1.0854623765116334,25.29415628262906,-5.058831256525813,-10.730075547561368,-0.6217160174092549,-10.032559395799852,-1.0854623765116334,-18.22596493601878,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1883,13.2116511292345,14.07044687710356,14.866031843279682,15.600522138450073,16.2765275053154,16.897120399937453,17.46572295215404,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_113,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0783115422684298,0.5841452719507051,1.9956465987696583,4.14397767234613,6.064521466438444,7.258137699504143,7.863666878939515,8.141982953489528,8.2456356720394,3.394673301919358,0.4118940499728876,0.0030759062635179,13.899414531290198,5.274582387943464,8.286003740709024,1.2303967433149985,4.804848824006196,10.175637688369804,0.5752489657840828,9.406840550278858,1.0595659158376016,24.02424412003098,-4.804848824006196,-10.175637688369804,-0.5752489657840828,-9.406840550278858,-1.0595659158376016,-16.24318348485482,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1883,12.613545545041816,13.552207583109965,14.413339353410592,15.20220657963418,15.923773373698006,16.582882787168014,17.18430487877367,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_114,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0694801137307484,0.3559834273110127,1.0944191372875371,2.2543819130893072,3.325725083217935,4.009228464601911,4.361264689273885,4.52425987700371,4.5851546229262965,1.8453579338019392,0.2653257436124466,0.0049567078431064,5.352412864026103,1.306538454987437,3.4553259455839336,0.1099443295276144,5.187580504170646,11.142202996233449,0.6068155883712397,8.356178936882142,0.9599533118775604,23.260254908795737,-3.0057935610126862,-6.245023526901355,-0.4084713208114251,-8.356178936882142,-0.9599533118775604,-12.274786912597532,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,15.09977184610564,15.848920260602515,16.51608235524416,17.1147927169631,17.655331489211854,18.14567100266669,18.592127712070027,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_115,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0626731781319407,0.3668983836495346,1.1665267047737191,2.3884462198598664,3.510934548052436,4.225572942773456,4.593033797146948,4.76300886263814,4.826483599892104,1.9590730486908248,0.2672532344067569,0.0039062184590784,5.538199722741383,1.484036515416418,3.538092968578378,0.1795834916574794,6.387918419011078,13.819955092224822,0.7473484718507485,9.308414199775386,1.0590588124845663,27.082304810400963,-2.430128779663025,-4.936408407461623,-0.3875494137281982,-9.308414199775386,-1.0590588124845663,-12.639121184862171,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.024668934216052,14.898197144270004,15.685113035541317,16.39504387662267,17.03642079534962,17.616649030344924,18.14225291075732,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_116,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0694815248003299,0.3765015934311002,1.2221923513287585,2.70437077469999,4.191246104796733,5.172338656363101,5.683497623639535,5.921135581610812,6.010049377167493,2.162503119799395,0.2772810543386292,0.0048448514540107,6.923183830700745,1.9583051533031333,4.453875847701156,0.3763138766755788,6.473919444311453,14.189639389605718,0.6693071826661303,6.018492328470432,0.8997076130733438,23.142133481345983,1.0447547143792189,2.686571572241579,0.0142086499421124,-6.018492328470432,-0.8997076130733438,0.2136848360053588,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.329828607934015,15.177747067489308,15.931744570806169,16.605828275626667,17.21134148603704,17.757502200275265,18.25185828115608,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_117,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0634321221824452,0.3802526365790356,1.2248851390877422,2.6485482200595256,4.074096939823299,5.015689511837915,5.506281585055368,5.734323922855095,5.819639385134776,2.1294790832655,0.2765110674481764,0.0038731951705212,6.861100742833912,2.0410298721580973,4.365916704753708,0.3196274826837263,7.183205283768527,15.760460993912693,0.7635350732461808,6.897888017856062,0.9656983574551666,25.76148865408901,1.0908625245492396,2.8112859522425904,-0.0113470906718383,-6.897888017856062,-0.9656983574551666,-1.35938708304166,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,13.482167322811367,14.393924750278265,15.221636300624896,15.971848698108394,16.651325649480707,17.266688863127996,17.82420127574583,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_118,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0694713385631818,0.3764537214446481,1.3575292177624485,3.224295978696175,5.083747944192396,6.289324704158201,6.91107194496054,7.198745028581282,7.306164057979434,2.5389987112930785,0.2748781217369291,0.0049059902584052,9.242050231444049,3.029219750311014,5.61412187728564,0.4979341131723071,7.401840903598989,16.248238547614264,0.7594118436115326,6.530584554065064,1.001603108026654,25.976446891082773,1.5878134590701911,3.929694462441271,0.0578294620856658,-6.530584554065064,-1.001603108026654,1.4210635376774394,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,15.18075947974178,15.95130996632364,16.63399271613904,17.243473883164537,17.79102997651448,18.28546087412148,18.73375087206738,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_119,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0633038530433936,0.3799601559478034,1.249772662395973,2.708031913191153,4.138687413113792,5.074153152842237,5.559771507438232,5.785202057133493,5.869498983764076,2.180385328078691,0.2755142772263071,0.0038918062902226,7.229021048918061,2.149431363953933,4.489974736121039,0.2926082495175549,9.919313327620936,21.84741045351049,1.0704511637291234,8.990814232684414,1.2204849482030216,34.520865054058994,2.3645916667866644,5.724707681346048,0.046267472126113,-8.990814232684414,-1.2204849482030216,-1.3255641520463737,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,13.312303429258332,14.242430979183712,15.086576753385874,15.851248814778328,16.543345804642378,17.16968827780684,17.73674964579461,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_120,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0684956208656408,0.3825183104602538,1.3017584848019357,2.9068195936172287,4.459419225838039,5.45575195092013,5.967356642929027,6.20361743958753,6.291769191929212,2.326391268564636,0.2788846794761385,0.0047061434266688,7.461420130398258,2.241144381719349,4.764201512787395,0.4670972023407294,6.713141499090952,14.740616261245911,0.6367379407964419,4.935908895660328,0.9345723118768754,22.65272658341604,2.178917021829489,5.218255784125174,0.171631015650871,-4.935908895660328,-0.9345723118768754,6.373984203321061,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.701564392083986,15.52996421123244,16.263269920351085,16.9168453453449,17.50272219007953,18.030425741993938,18.507603198271088,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_121,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637481276224335,0.3734336128582864,1.1583769228341416,2.353592839737442,3.4748035381819475,4.199158123980324,4.574125811128199,4.748066509993084,4.813096174194545,1.9309404719000272,0.272844859577026,0.0039687136479923,5.674265234379499,1.5155860032134374,3.712295685620264,0.2041200571234492,6.8649322433192514,15.08956081197998,0.7326860337731337,6.375748051955625,0.8872744772588543,24.238299071783626,1.3535850598614143,3.357498985358349,0.0144519028796541,-6.375748051955625,-0.8872744772588543,-0.8998955094881576,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,13.649924977458214,14.560643919894844,15.38324021019049,16.125901971770855,16.796544823161252,17.402562264920906,17.950714250379338,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_122,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0787419589961311,0.5807093453469022,1.955036246347456,4.003066993279424,5.818503147872471,6.948445158337214,7.523178628975452,7.787760763393676,7.886370939870124,3.292563616229987,0.4106656833870894,0.0031211394137808,13.286912923980926,4.919509590209591,7.984799155742487,1.1506110816926771,5.072573768802538,10.760238008365388,0.6243882334352204,10.067679636284302,1.0865673894260908,25.362868844012688,-5.072573768802538,-10.760238008365388,-0.6243882334352204,-10.067679636284302,-1.0865673894260908,-18.344307496452736,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1883,11.946252962318844,12.933164286850356,13.839715553652086,14.670870968066652,15.431515132083776,16.12655428746059,16.760905887546848,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_123,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0781952196654519,0.5840887654810164,1.9978054333177693,4.151242358328031,6.076840285757172,7.2738052411489456,7.881106363245141,8.160254905187257,8.264220667073845,3.4000676299991595,0.4117413664674587,0.0030651550619717,13.977221686153074,5.294760313831116,8.325451880220625,1.22719948211004,4.805309547905126,10.176638222454676,0.5753281981649948,9.407935133225084,1.0596223772584157,24.026547739525626,-4.805309547905126,-10.176638222454676,-0.5753281981649948,-9.407935133225084,-1.0596223772584157,-16.24642613202401,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1883,11.986035275021177,12.974604630876604,13.881893126977868,14.71312312607272,15.473365007150672,16.167658928603537,16.801020872232005,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_124,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0690821319484941,0.3574682161855987,1.1038383341658078,2.273087752780328,3.350705434476533,4.037510218991113,4.391098814497748,4.5547850129010286,4.615933832666103,1.8611610880995588,0.2658758197755954,0.0048921482478986,5.390113567957543,1.3329070725606702,3.470192429409953,0.1156461024488171,5.172473017527795,11.115456398385184,0.6061555724500695,8.295662407777042,0.9494518957870752,23.12098331631632,-2.938754537190808,-6.1017128170157,-0.4030902560557979,-8.295662407777042,-0.9494518957870752,-12.202620681389048,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.69751203930385,15.494277133405491,16.20271190687538,16.83724116558498,17.408911864386905,17.92634877867618,18.39642425897513,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_125,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0629951104847674,0.3669593334588342,1.164578057762111,2.383168219912959,3.502220430255075,4.214425989507024,4.5805633243343085,4.749910320345607,4.813148018133762,1.954998831313492,0.2675065862375674,0.0039518643369962,5.543144818723229,1.4773435424588028,3.538289686411765,0.1745794022591535,6.3624125697916725,13.759564874886395,0.748023094449542,9.38921438602492,1.0590574240440171,27.11504288644052,-2.5352111188512083,-5.16913287632682,-0.4000956898185905,-9.38921438602492,-1.0590574240440171,-13.069114562944115,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.494689166240104,15.33156454393847,16.083166543781594,16.760079419358796,17.371120718042857,17.923761457587656,18.424421949683254,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_126,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0693856661611136,0.3779972702852508,1.2293320658206146,2.7204698461950425,4.216509713964216,5.203820008653273,5.718262988026604,5.957436644156349,6.046926388061025,2.1753369029102174,0.2781018755116348,0.0048205331922543,6.996348830720216,1.9932689732391848,4.489335928613589,0.3837240018883784,6.572072564515282,14.407628296893773,0.679881122387036,6.089294810395284,0.9095668450815722,23.455108599232897,1.091467913764619,2.7937456550038866,0.0168043756384095,-6.089294810395284,-0.9095668450815722,0.2474224630309715,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,15.472447640048944,16.189370546572256,16.833706255567435,17.415058222015304,17.941433132841514,18.41949016359904,18.854792578433443,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_127,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.063585590633113,0.3801096563292816,1.2317183021271705,2.6832447815063727,4.136947795432624,5.0949791289643445,5.593419815595054,5.824949888348754,5.911544681995599,2.153387093972115,0.2764628444682953,0.0038966695773823,7.047144225730119,2.11211648119698,4.467938688348938,0.3284498513642198,7.406587151208729,16.259748764689117,0.7861247402652651,7.0008256912689255,0.9851024715327712,26.400082619827646,1.2572191079302324,3.1867944789489444,0.0014940105655494,-7.0008256912689255,-0.9851024715327712,-1.061992919662403,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,13.759516011332227,14.643911284809676,15.44739823608759,16.176084080443463,16.836414941632565,17.434750437728184,17.977121201124827,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_128,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0694269525358187,0.3779126943569594,1.3531619559238013,3.2003951518742566,5.042174371801512,6.237709790807004,6.854680855249242,7.140230787818509,7.24687062235791,2.5222412584180263,0.2759405152522,0.0048853754180118,9.092684580387727,2.976840602073733,5.542630505605913,0.4916654839663816,7.343790181347289,16.115712252852024,0.7556828140920919,6.5701756243490905,0.9986967205600044,25.888652031275075,1.4808977912508616,3.691941697133439,0.0465615470531945,-6.5701756243490905,-0.9986967205600044,1.0694076849136678,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,15.059075657982882,15.841759403448634,16.536679122846223,17.15767951674825,17.715683459477347,18.21938896435678,18.6758076454056,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_129,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0633497485225867,0.378529189510989,1.2477944720487029,2.7160162840532225,4.159117277268622,5.102328795498766,5.591721650543246,5.818840569489412,5.903758162655674,2.184052652112205,0.2746477483375059,0.003909463339073,7.23504300785221,2.153760072991723,4.505037861113361,0.3018456483007338,10.003917527807706,22.036568987203687,1.0761456094296276,8.977215876197668,1.2294869663129948,34.71556433137555,2.4660273895473104,5.9531292848845485,0.0574857466935557,-8.977215876197668,-1.2294869663129948,-0.937530864386964,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.28743752172052,15.127956362747442,15.891624213475774,16.584208625755448,17.21186113929064,17.780652561193005,18.2963279143742,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_130,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0685406972953118,0.3823243142449039,1.2999169847433567,2.899791166182833,4.446882117833103,5.439668147260028,5.94944929392961,6.184866458579252,6.272703106692947,2.3213695248841306,0.278781640334465,0.004715688907247,7.4312319553350275,2.2275449562340937,4.748773677433398,0.4633512046302159,6.651585241720664,14.6060167889137,0.6304653341635558,4.877179566375568,0.9255668874273356,22.429134125447693,2.171874974183921,5.198881371881658,0.171667412736861,-4.877179566375568,-0.9255668874273356,6.371206875513379,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.317914461052116,15.176127826078526,15.937339747905485,16.616552679677817,17.225755168892373,17.774583161764575,18.27085934741817,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_131,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0639017413568429,0.3729643543691796,1.1557243509618074,2.3527318805722133,3.4794771762633725,4.208227158226541,4.5855666732628855,4.760616554562696,4.826061527079286,1.9287805146730568,0.2726896311118603,0.0039932902769406,5.686717013606815,1.513932509819024,3.724535381703517,0.202951574191913,6.711450764131268,14.74686678788026,0.7161159015290399,6.282417714261289,0.874133241908677,23.77696399261151,1.257674280942294,3.1404139485179017,0.0083500116594658,-6.282417714261289,-0.874133241908677,-0.9948421528235784,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,13.769993495580222,14.667429003981328,15.478568094473406,16.2112554595753,16.873171302955733,17.471532120987852,18.012954864832164,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_132,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0787021031680178,0.5802263937870173,1.9480872790544368,3.9768382869856462,5.770963390027279,6.887087694825023,7.454801473115478,7.716168359336025,7.813583715023877,3.273879980882128,0.4104401667662186,0.0031159296850231,13.126504892117612,4.849567164999378,7.907392804853942,1.14439283987273,5.086039683838821,10.78953049685361,0.6267516836787811,10.100053153269071,1.08812825241056,25.4301984191941,-5.086039683838821,-10.78953049685361,-0.6267516836787811,-10.100053153269071,-1.08812825241056,-18.44241943832058,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1883,12.01436931285508,12.996922988899152,13.89926837096113,14.72643015693759,15.48332221762108,16.17486118967726,16.805963451354522,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_133,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0782697678780392,0.5846199191919154,2.002605463016005,4.16690581250737,6.102931049080233,7.306089136645089,7.916390632251052,8.19688191382279,8.301341648217285,3.4117003501947063,0.4120686062038922,0.0030714061090565,14.034667865854688,5.346125498093444,8.352242968427133,1.2386367261635844,4.819877688213224,10.207597671007692,0.5771763644578081,9.43728860387569,1.0626398878964949,24.099388441066125,-4.819877688213224,-10.207597671007692,-0.5771763644578081,-9.43728860387569,-1.0626398878964949,-16.302957070980433,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1883,12.322482669058928,13.275848868176906,14.152482226758458,14.95701830399021,15.69396989143883,16.367883965990828,16.98335334007863,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_134,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686013700525772,0.3579804330458451,1.1081206243931254,2.278375291211886,3.354871357790445,4.040633190201385,4.393648863041164,4.557066191302409,4.618114240507408,1.8665073659098048,0.265815635846354,0.004819237224052,5.385841421021175,1.341314560526368,3.4636709301413315,0.1188579917036494,5.1885864845226,11.152732097395464,0.6055557219271582,8.250111663751296,0.950638932475564,23.11123500513704,-2.881277477690334,-5.973809227269036,-0.3958003576696795,-8.250111663751296,-0.950638932475564,-11.936227780752285,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.609502081639588,15.41852570709305,16.137550496403385,16.78117656546077,17.360638216630456,17.884737995064327,18.360508469951167,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_135,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0633481971640698,0.3656055242283075,1.157147220401659,2.370664554148557,3.487868426155828,4.199710134214226,4.565831057348624,4.7352028595683615,4.798454639217809,1.9438089555963969,0.2669612113094226,0.004008710935945,5.518099846166799,1.4555007449101107,3.528898904789851,0.168757353101238,6.280880442132533,13.577143724563252,0.7388315177202336,9.336271152130616,1.0527750220530656,26.86957523080253,-2.585836236320574,-5.283348274130615,-0.4029184081009646,-9.336271152130616,-1.0527750220530656,-13.091672172939406,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,13.852545598302848,14.749458943144347,15.553347053496513,16.275948537852475,16.927108492051918,17.51516947476188,18.04727314436513,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_136,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0695061213049207,0.376717063376277,1.224191178465213,2.7140648706493247,4.211923442631076,5.201135586394016,5.716677010290993,5.956376664727767,6.046065103883037,2.168867354693565,0.277421933738796,0.004847066960279,6.974072694645868,1.9788280822709416,4.4783149809870535,0.3793703291473924,6.576274834075453,14.418353102372723,0.6784379058333379,6.044108809899704,0.9094125688707614,23.4160170931569,1.1362383399559537,2.892943626789784,0.0226996554422445,-6.044108809899704,-0.9094125688707614,0.465178329468635,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.7002735672128,15.50693397387544,16.226096592314516,16.870523412250847,17.450586028958714,17.97474304434929,18.449945202249825,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_137,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0633892285603923,0.3797036883356273,1.2248332120170975,2.6536479819254817,4.084287334394006,5.028572287202434,5.520344281703999,5.748884663689019,5.834378401271112,2.1325438743107905,0.2761453693227607,0.0038707190704209,6.906057451346867,2.05998138135737,4.384598070332008,0.3196275399903917,7.16273659092781,15.715329963348497,0.7623517630314727,6.898460965368943,0.9626220110525324,25.707599266116244,1.071850118238912,2.7677987844096004,-0.0137529712890435,-6.898460965368943,-0.9626220110525324,-1.456066435101824,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,13.20575689905529,14.145193773976754,14.997155442616975,15.768614945730931,16.466735818160195,17.09849766015389,17.670475577836406,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_138,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692089601146662,0.3770082105019633,1.3545866993389637,3.208609021175646,5.057647784646124,6.2580653658706735,6.87759529889991,7.164336988869176,7.27142297817212,2.527884336708037,0.2751379661791167,0.0048612613451594,9.142122321182455,2.995099788367204,5.568250464614078,0.4931181513121317,7.404747924852759,16.252486720905477,0.7611630100647877,6.580632209465207,1.0037547081997689,26.043602301354497,1.5420306345548165,3.8292084304891447,0.0521804953359009,-6.580632209465207,-1.0037547081997689,1.2292142858434612,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.88250676314878,15.68557733708568,16.397142869769116,17.032045425472315,17.601873409662165,18.11577968272438,18.58109617180808,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_139,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0634649181807602,0.378121735723081,1.2424590578894494,2.701187726329575,4.136186111959597,5.074588150097677,5.561582897337326,5.787605766061305,5.872115918850469,2.1725269711305715,0.2745451054573559,0.0039268499472353,7.19129752852727,2.12898570006872,4.479320377666854,0.2931210496888814,9.911957065764753,21.83143976279453,1.0676283655327217,8.94497014803494,1.220515978642513,34.4588221680136,2.3925314356361254,5.786879550490747,0.0509614982309942,-8.94497014803494,-1.220515978642513,-1.1245181875468653,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,13.869638316575946,14.758645907380448,15.562163404813685,16.288070217081497,16.94399507222734,17.537067230020227,18.073808219553825,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_140,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0684542474065419,0.3805667993509413,1.2943240744152242,2.891931307741342,4.437880257210284,5.430154048653363,5.939735281455715,6.175075113345733,6.262885383944914,2.31410177013481,0.2776892432496083,0.0047117063205921,7.4149936519818995,2.21433345024026,4.738919616595481,0.456921726752155,6.6648277774506575,14.63335819696046,0.6323140886021519,4.914839987438598,0.9291968824828484,22.510638094995027,2.1461728680931094,5.143573552009468,0.1686859700836451,-4.914839987438598,-0.9291968824828484,6.283653946847294,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.704051648547546,15.519302367832951,16.24418332812017,16.892445636341773,17.475083659892913,18.00094778880069,18.47723899489645,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_141,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0638029225601845,0.37343146588138,1.1591317458418202,2.356720876787339,3.4802108469064934,4.205883758758314,4.581475178942586,4.755691168991095,4.820821456432772,1.9331801437143044,0.2728543986257911,0.0039778556047052,5.679245857774325,1.5210946562934715,3.7115392824246713,0.2049289253003204,6.7485453976814,14.82982174418464,0.7208879826997312,6.317641956275152,0.8766868215307143,23.89883303657696,1.2724052297356687,3.17378528091678,0.0082893470654567,-6.317641956275152,-0.8766868215307143,-1.042119210622647,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.289657260001295,15.139146193150598,15.90686106364089,16.60051484265581,17.22751570849107,17.794731955229754,18.3084048985508,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_142,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.078754034282315,0.5804927540045466,1.9509906347700663,3.991366507794501,5.800466845436254,6.926933130663174,7.500049997805604,7.763922620596254,7.862273957600072,3.283527078531032,0.4106338128898512,0.0031191527601557,13.20359754293045,4.882261496051807,7.946993773533276,1.1494079473137389,5.059909684087889,10.732382057388737,0.621867080753879,10.03484633011892,1.0856590330055873,25.299548420439443,-5.059909684087889,-10.732382057388737,-0.621867080753879,-10.03484633011892,-1.0856590330055873,-18.231147232332088,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1883,12.429063801504844,13.3730796232382,14.241245217367997,15.03808690131429,15.76804775491229,16.435622120237905,17.045355510804235,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_143,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0781830103406004,0.5837262843536565,1.997132769282588,4.154951643485063,6.0877373913322845,7.290110493374993,7.900352587701132,8.180890274059777,8.285378946646084,3.401693648604592,0.4115344623342756,0.0030650699496979,13.991573687250703,5.305840950290068,8.336401584599278,1.2309006556292703,4.811277829986244,10.189306143256234,0.5760702641324221,9.41983994304562,1.060886889095587,24.05638914993122,-4.811277829986244,-10.189306143256234,-0.5760702641324221,-9.41983994304562,-1.060886889095587,-16.268529339338333,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1883,12.47978265055265,13.427807781983928,14.297740523862725,15.094842746623794,15.824073255237948,16.49028014643025,17.098249931869642,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_144,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0691644886087437,0.3579513591509612,1.1041580799225217,2.270002896367109,3.3430473739590587,4.026537056059499,4.378326845595246,4.541161604405865,4.601989467156797,1.859531838429868,0.2662186946658331,0.0049027819033291,5.376380472900938,1.3293303159298184,3.46145515600264,0.1153297008742002,5.208546964139569,11.192211376401694,0.6090099820863613,8.336124505173522,0.957846893173064,23.27205467230154,-2.9509557321129463,-6.124883667664702,-0.4037744155384865,-8.336124505173522,-0.957846893173064,-12.175399244568132,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,15.693799459200992,16.366449889080297,16.973175719955634,17.523150124233503,18.02364708651808,18.480524769070968,18.8985872565748,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_145,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.062995869608104,0.3664461533927736,1.1607404250609834,2.375114369333287,3.4918434104493032,4.20311463217997,4.568895805273959,4.738102587895827,4.801291638214053,1.9481995654370647,0.2672652116028081,0.0039524494379806,5.518102456192782,1.4650872877205483,3.525500332725509,0.1716397516832934,6.351597353118272,13.73529500213769,0.7462608447782757,9.373027599752987,1.058639674229427,27.07482642365193,-2.535688926352815,-5.170211017649766,-0.3993600787086889,-9.373027599752987,-1.058639674229427,-13.021905898391836,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.526439909470504,15.352518875773493,16.09604818934825,16.766837095397086,17.373194432894284,17.92224321114426,18.420155414748947,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_146,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0693769310123023,0.3762144622044832,1.2261868703773446,2.721247131146616,4.222484247315042,5.2133384635542095,5.729635402815001,5.969671216180406,6.059483508752185,2.1743899232004305,0.2769527349394325,0.0048330770586044,7.013637427375314,1.9920520861503324,4.496240641731768,0.3800483239682323,6.613672378556395,14.50262049082566,0.6830483771950269,6.069702625181916,0.9113239048500832,23.52567760953276,1.161848148535563,2.950100824634206,0.0238171252678783,-6.069702625181916,-0.9113239048500832,0.4525837920825518,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,15.41760248104587,16.133587496276878,16.778514247978105,17.36129679285819,17.889542002781234,18.369679544066056,18.807141297233912,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM1883_147,RSM1883.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0632408389338151,0.3795707198826142,1.2301834649040235,2.672110440989212,4.11326756421129,5.063044319281238,5.557323566139133,5.786959756552638,5.872853017600144,2.1464162566015488,0.2758673266744245,0.0038542580474662,7.001459484620134,2.099207899112626,4.429954061995404,0.3200509715007362,7.326944115444803,16.08199606403068,0.7802851160624915,7.001818530798931,0.976529724612541,26.204133762227745,1.1720525486262363,2.9946200573250623,-0.0076490556923969,-7.001818530798931,-0.976529724612541,-1.373562249193347,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1883,14.116854918748732,14.961411711382754,15.73249026585573,16.43421775967101,17.071697111574128,17.650358062145745,18.175572705210577,"[O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn]rna,bcu.cat0","linker [O-]C(=O)c1cc(OCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Zn], topology rna,bcu"
RSM0012_0,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0052420059995917,0.2113139240172767,1.221304656508422,3.1458469320887685,5.200102286959823,6.617161443956015,7.372689145014192,7.727674885772924,7.8610850138739075,2.4278943628374883,0.1185954686783089,8.117164482229602e-06,8.711639950790351,2.8286396717141904,5.391771376531877,0.4761726711594877,19.24607589113448,43.45266814099173,2.027266163769217,6.972053419019264,1.501620285512442,60.678252008172834,-19.24607589113448,-43.45266814099173,-2.027266163769217,6.535794798711795,1.501620285512442,-60.678252008172834,-19.0,-42.933795,-2.0,7.0,1.56,-50.0,-26.0,-57.925255,-3.0,-8.0,0.3200000000000003,-95.0,RSM0012,17.829722197801225,18.246033606941413,18.5811591545149,18.85412870761244,19.07892808460664,19.26595045356292,19.423008891531023,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0012_1,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0044893937547212,0.1926061749830135,1.1480420000004483,3.039175997158751,5.082010128264316,6.4925073447586765,7.24417690435215,7.5972271254803,7.729888157365742,2.328532627948431,0.1073654578400345,5.796266763463737e-06,8.139630007873887,2.691708173299282,5.024407162769087,0.415551543600977,19.02006476746057,42.973864729529815,2.000051949588103,6.980350829244246,1.551168583957737,59.9033126338643,-19.02006476746057,-42.973864729529815,-2.000051949588103,6.979519635834603,1.551168583957737,-59.9033126338643,-19.0,-42.933795,-2.0,7.0,1.56,-50.0,-26.0,-57.925255,-3.0,-8.0,0.3200000000000003,-95.0,RSM0012,18.452099676267693,18.78684932777838,19.05403109552474,19.27016426449222,19.447161399242283,19.593738189893408,19.716363024471924,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0012_2,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2299604935152961,0.8672455120196199,2.2309823984064896,4.498776276504612,6.840517713445125,8.430015109252258,9.270729397501649,9.664292260531278,9.811972698253662,3.6654938941034807,0.6835093507281315,0.0273965826580703,15.678931036983103,6.282868693573192,9.682582883148248,1.9477293076805344,4.260367369316996,9.237547867291514,0.7184276607373643,10.005277758396224,0.5484753346394403,28.98899615389469,4.260367369316996,9.237547867291514,0.7184276607373643,10.005277758396224,0.5484370733545689,28.98899615389469,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0012,3.0615351523900363,3.720528894468832,4.390172804633452,5.056390345479252,5.709232742263648,6.34221293130513,6.951548869805387,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0012_3,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2355395518720833,0.8698294617947897,2.225547110010002,4.494144569799936,6.821882187446271,8.396681854873481,9.228886457985125,9.618384890113097,9.764532942444143,3.662112568252522,0.6885631507894633,0.0284729137853171,15.529148616056464,6.33821451598115,9.565021801083562,1.9701855828748585,4.257029837926213,9.230708513162368,0.7102158574733977,9.81946697452813,0.5467472429022315,28.472564306072933,4.257029837926213,9.230708513162368,0.7102158574733977,9.81946697452813,0.5449294947394084,28.472564306072933,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0012,2.872137998164588,3.518817153876747,4.182068416776289,4.84668154145799,5.501626332523542,6.139487906413913,6.755734032382923,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0012_4,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2307859432180058,0.8583851648804965,2.184342507998634,4.4435525107716645,6.794557133598587,8.391402542646576,9.236069325497317,9.63150550807003,9.77989391213826,3.609236828873376,0.6796337364486803,0.0276444653322778,15.571959517657522,6.039498720328571,9.782501048908667,1.915234161607367,3.671457824971708,7.977433050162384,0.6355526492760085,8.755879019179776,0.4421375147198938,26.13139632446206,3.671457824971708,7.977433050162384,0.6355526492760085,8.755879019179776,0.4421375147198938,26.13139632446206,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0012,3.32288810404918,4.005058946367832,4.690230753042261,5.365341881921467,6.021600594002121,6.653631513246832,7.258634124455399,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0012_5,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2331365819366438,0.8596150870956054,2.177707133647175,4.45282677109221,6.831950300128253,8.446348230703835,9.299130981460872,9.698052129933387,9.84769489283087,3.609904567075525,0.6821014858887645,0.0278631502132895,15.661083912915196,6.081880606268323,9.820636526365597,1.9050453661770288,4.261278637255969,9.300187649918705,0.6949895958436945,8.620525471441045,0.432359492546379,27.77168921298037,4.261278637255969,9.300187649918705,0.6949895958436945,8.620525471441045,0.4140635697644441,27.77168921298037,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0012,2.957707320156245,3.608486195542876,4.2733295040735255,4.9376649503175205,5.591067090618859,6.226641622308546,6.84027445746128,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
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RSM0012_12,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1615887973210034,0.8071118125788252,1.9983705738426976,3.84602110693281,5.823351101110238,7.209328865842658,7.954771581108649,8.306417940370546,8.438792185228724,3.162309122748308,0.6218477705809061,0.0102508809687191,10.865682748089624,5.053008444927749,6.409430318039473,1.415013730115659,2.020466640376984,4.178947798564178,0.1220246438216828,2.742935316429941,0.631261049770431,11.789569669585829,0.9588004987354716,1.842696247242665,-0.0903085845066196,-0.0966868001256494,0.5463195399849791,-10.996668186709243,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0012,6.276846700793449,7.018693093262471,7.765529404808784,8.50993533510723,9.245437143716504,9.966367468806633,10.667906675563328,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0012_13,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2100652028968722,0.953515369829353,2.4179605996982807,4.581823710915453,6.76372873590968,8.247614487631141,9.03514040922946,9.404514308883297,9.543237646201568,3.799926025904424,0.7344583502399324,0.0203943492915866,14.599617394183506,7.073953932856129,8.816997599947634,2.1222898830085866,1.9326910045465,4.192128765810423,0.3275103644902675,4.55277392046864,0.245965563603941,16.21366231253785,-1.3424126403561745,-3.014907110187448,-0.3275103644902675,-3.962495556278314,0.0167083084607539,-16.21366231253785,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0012,9.316337211848026,10.095486087529148,10.829030638848234,11.519503758389314,12.169563015546307,12.7817783441162,13.358523927201247,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0012_14,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664065531094976,0.3830987891881474,1.3231392817956382,3.227241034019843,5.355044939785245,6.834038889458856,7.622245653123019,7.992239135287161,8.131218319773357,2.499240632021821,0.2790883832479862,0.0043279036380992,10.168669550432766,2.82941274365818,6.444293604347709,0.3493650112445406,5.00631454070405,11.033331892488045,0.4829693933693577,3.6909711297397454,0.7405186093080506,18.55769950612129,2.022462073614818,4.84940780540461,0.2569018291905233,-3.6909711297397454,-0.7405186093080506,10.64533475986209,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0012,13.09554982238048,13.958081229154466,14.736760754329586,15.440321421862544,16.076655124267777,16.65283682747136,17.175180714641456,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0012_15,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0623039951228708,0.3707874455659675,1.4233242186705168,3.496558477575062,5.689674636355553,7.175199851192188,7.958840146672652,8.32519243304573,8.4625838411123,2.7209463350843826,0.2648474567359175,0.0039577231212326,10.996911647079116,3.4455629115704856,6.604250247355624,0.449143191295264,7.177112730984465,16.004329071112252,0.7318199673022832,4.233137139605664,0.8333886690173141,24.88739449267599,4.763756645168697,10.97813608244236,0.525113651240155,-4.233137139605664,-0.8333886690173141,17.652673430501505,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0012,14.196174188411993,15.00800634957804,15.72816375064236,16.37081222045923,16.94701141970106,17.465574217006843,17.933677843940917,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0012_16,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0713504809036391,0.388101053204208,1.350230394390343,3.3509128954827028,5.597108108417813,7.157584027868557,7.988587727312414,8.378506773803394,8.524943116444307,2.583436114156711,0.2846479030995906,0.0050794672335462,10.784171439234688,3.133509336460407,6.910639956143556,0.5301367436998745,5.070404472350448,11.149398468261618,0.4805496330529611,3.822701243447751,0.7833474488462369,18.986896995094256,1.840303068592504,4.466543682675157,0.2468932659936652,-3.822701243447751,-0.7833474488462369,10.8089241480189,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0012,13.576173130534498,14.409158785917976,15.149132390346944,15.810433995494945,16.404455100728,16.940326064753517,17.425458068288687,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0012_17,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0597444785669396,0.3924170221020452,1.5222912487021971,3.647123237040633,5.839951957993243,7.312434919521901,8.087002867707072,8.448753690925718,8.584369895914975,2.86132022418428,0.2757090830687563,0.0035227526425953,11.231226861251182,3.944086395480788,6.73930935846116,0.7666759691256798,7.889834129636047,17.620455090447344,0.7986718529258436,4.298452739781055,0.892413667355364,26.97322538160306,5.655477874076317,12.98752642420665,0.6271504632544054,-4.298452739781055,-0.892413667355364,20.969976743102723,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0012,12.930361009888504,13.881124201848714,14.730180723574442,15.489372928113342,16.169259524086346,16.779128843468545,17.327116891126042,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0012_18,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0684384770667263,0.4047261625837842,1.5180632238809753,3.73189293236462,6.083201205518551,7.672082665874869,8.50832959154143,8.898788268215169,9.04513887246609,2.9009689775365657,0.2903421980713807,0.004598811897557,12.72631976926498,3.95986551299772,8.046704457718628,0.7552098995463409,6.437178408927545,14.16773677802603,0.6502801602065712,5.442791228937649,0.9492549304473809,24.44010646758464,1.972531646158657,4.835461512211317,0.2349524771709237,-5.442791228937649,-0.9492549304473809,9.903637561336978,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0012,13.05211402394977,13.92279265735656,14.704013950278169,15.406846235942808,16.040824119972246,16.614074380273546,17.133529851061127,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0012_19,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0684693848717807,0.3720970517883739,1.269300148968325,3.0342339728052514,5.016123666633584,6.413796783965373,7.16547491877242,7.519885045299833,7.653262150985235,2.361644410326225,0.2727331222377012,0.0047597001046532,9.080435070120748,2.5312193739368087,5.85009219104887,0.3983253899116408,5.872352806943423,13.063068013474108,0.5858416066006114,3.5332260977945653,0.7255894037728003,20.57943958227493,3.66274231285095,8.483132995933895,0.4178526165356383,-3.5332260977945653,-0.7255894037728003,14.699824930000876,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0012,14.185812685385889,14.97711562854071,15.679346756206616,16.306041399221375,16.86817563585229,17.37461683458854,17.83257102420553,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0012_20,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0709672906043779,0.3944108695854556,1.4327426386400126,3.6051479247251583,5.988824163449356,7.616537885957216,8.475756956140536,8.877302727058604,9.02785382459786,2.7771699431257115,0.2871761159719325,0.0050082190460948,12.338649609512508,3.6029342608330897,7.881895057395371,0.6408272301669768,5.749840571304453,12.639443439664328,0.564664921371046,4.721214726944548,0.8770038372952201,21.816771337361928,1.776799363783916,4.368304771488164,0.2276129665329929,-4.721214726944548,-0.8770038372952201,10.01995291803007,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0012,14.01257572791586,14.783382338384238,15.47380537616944,16.095144996764084,16.656576722010456,17.165579796390617,17.628319068300847,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0012_21,RSM0012.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0672106692527617,0.3819054240809129,1.318807418406123,3.0888324386414068,5.008009030153344,6.34063364559778,7.053057616799162,7.388169069720295,7.5141675233748675,2.4239925338526884,0.277647830293507,0.0045110339565981,8.908365571748426,2.685421584138878,5.626392310853179,0.4542609400865837,4.660866885173067,10.309372063444911,0.4588695024952436,3.2483007076754307,0.6427169713302047,16.949931679040855,2.2381989542363705,5.280263643960755,0.2673479542846971,-3.2483007076754307,-0.6427169713302047,10.24667749167173,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0012,13.358394143579805,14.235352063507603,15.017004066210015,15.715785747929672,16.342482779959756,16.9062547777687,17.414839396195525,[Co].[O-]C(=O)C=CC(=O)[O-].[O-]C(=O)[CH][CH]C(=O)[O-].cat0,"linker [O-]C(=O)C=CC(=O)[O-], [O-]C(=O)[CH][CH]C(=O)[O-], nodes [Co], topology "
RSM0009_0,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0064241854277654,0.2243050295603065,1.3221737336060018,3.534194228414905,5.893742907982277,7.497553115487272,8.344307157354766,8.740227027968437,8.888710126280293,2.7039695813617786,0.1276490639029369,1.3258483687461703e-05,10.99614994355828,3.9067665341104254,6.387873536793236,0.535611393746459,19.17550842717004,43.28382023172655,2.0,6.824491572829967,1.481898749909335,59.12245786414983,-19.17550842717004,-43.28382023172655,-2.0,6.824491572829967,1.481898749909335,-59.12245786414983,-19.0,-42.933795,-2.0,7.0,1.56,-50.0,-21.0,-46.922495,-2.0,5.0,0.6699999999999999,-60.0,RSM0009,18.401076161316286,18.772341447752748,19.070404226001333,19.312792956134288,19.512234679289293,19.678100346562218,19.81738705541173,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_1,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0032144944279874,0.1760520330206793,1.1765351082688809,3.075871367176444,4.976773764741953,6.235214376170527,6.893629964983689,7.20049294028655,7.31543991003907,2.381998541757345,0.0936929736997906,3.128241689655555e-06,7.9681076127658015,2.7237848868733514,4.679188479052511,0.3810702026832792,19.00447627361223,42.94272225627854,2.0,6.995523726387771,1.558008058242558,59.977618631938846,-19.00447627361223,-42.94272225627854,-2.0,6.995523726387771,1.558008058242558,-59.977618631938846,-19.0,-42.933795,-2.0,7.0,1.56,-50.0,-21.0,-46.922495,-2.0,5.0,0.6699999999999999,-60.0,RSM0009,18.87625445011986,19.194671696222777,19.446406171431576,19.64852455301058,19.8130578665414,19.948653721737617,20.061640305906987,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_2,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401801244400583,0.4847513730521048,1.344083349694005,3.0317828926504764,4.899232295748696,6.1970619708800765,6.889563070848787,7.214890468607437,7.337137638530333,2.390278918252724,0.383940736445112,0.0199678880325703,9.387283942551084,2.292969337321104,6.101020528600199,0.253775690909104,4.580998532523022,9.952144376910065,0.7914859735335005,10.912886320791026,0.5545081465974311,32.49902548472993,4.580998532523022,9.952144376910065,0.7914859735335005,10.912886320791026,0.5545081465974311,32.49902548472993,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0009,3.4094086427361505,4.0645348318230505,4.739574841575697,5.4185725581301405,6.088926771120647,6.741482223572816,7.370173778827711,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_3,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.139225163550015,0.4865930264924137,1.366712230749329,3.0853218934193736,4.972091911036087,6.277120343070663,6.971853353274647,7.297891669878377,7.4203535300521315,2.4339145855939246,0.3841050552993839,0.0196975637095197,9.641121504638669,2.408676909448043,6.225761214839716,0.2717207553751121,4.580262864608608,9.94611884159888,0.7870647205814733,10.876780629260397,0.5624706236605688,32.19321611766008,4.580262864608608,9.94611884159888,0.7870647205814733,10.876780629260397,0.5624706236605688,32.19321611766008,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0009,3.34236172859176,3.9990644190249744,4.676292499579341,5.357892938579729,6.031121650239022,6.68672385263408,7.318567422389931,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_4,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1542473419343572,0.7771321554872339,1.939073680380047,3.733097153700202,5.580941069686309,6.841186825170693,7.510049753855285,7.82372252542568,7.941517246117594,3.07664561410091,0.5985482469200296,0.0095213036460761,9.720466657481118,4.901917362517248,5.385487196339787,1.2924905733796417,1.874233203350803,3.856131493744508,0.1134320509393313,2.7676728691402905,0.6191914158237227,11.598194833544063,0.7486731575357168,1.3792780838060283,-0.1116799582236859,-0.163163481768047,0.5398152615569256,-11.554392515652928,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0009,6.152740951455703,6.924605959793469,7.700590490338805,8.472567411822054,9.233506076378898,9.977390863222269,10.699248746321487,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_5,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0978934826226041,0.6973943820332117,2.1276651500199097,4.2530392818930975,6.27242457237953,7.596875407212867,8.288714283545158,8.611061842658973,8.731802649890168,3.5000870782972093,0.5036371473582723,0.0034595488125108,13.004823524003902,5.8501913997680735,7.878336437290309,1.5823512389864292,0.6298393340141202,1.3334218009621444,0.0749766977731384,1.2296529161992276,0.1396971953116489,4.648730625533371,-0.119927643717264,-0.3164794214186091,-0.0749766977731384,-0.7197412259023716,0.0872135068704521,-4.648730625533371,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0009,6.841744617896693,7.7085375349080065,8.560411674076894,9.390685093713262,10.193913411896602,10.965829868381904,11.703318604114438,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_6,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1007166827023064,0.7086170411670804,2.146807540471985,4.271615825423606,6.280205814295374,7.592283826452409,8.276166658187757,8.594485668956281,8.71366713270786,3.5200911474444485,0.5126843204174291,0.0036457839378337,13.159705224147318,5.9117808221664925,7.842873166949455,1.6455235948684468,0.7949692606010731,1.7031916102363454,0.1142032233989926,1.7085950477930143,0.1396302770943664,6.258910770985218,-0.3470629733888531,-0.8099097063346546,-0.1142032233989926,-1.2606887605807942,0.0596880207150716,-6.258910770985218,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0009,7.183810496034453,7.979519261110202,8.763546145245794,9.532445598523234,10.282107553574606,11.008468602433954,11.7079904153053,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_7,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1576222370061515,0.7811631415282245,1.9183625177486348,3.760932898273356,5.739438748655125,7.106812090430607,7.835007730150683,8.176821023051437,8.3052191206938,3.07364383115021,0.6043568368278354,0.0098826240586155,10.39760961389242,4.854679716290014,6.002906631279352,1.302850640287952,2.412949044535505,5.07658673827642,0.1425328074007354,2.2925024131319938,0.6124823024653187,11.172671257945591,1.7755641521590222,3.673988138587567,0.0150558289254389,0.2413301021377027,0.5150731668296963,-7.232955349791231,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0009,6.074439245160648,6.904764146574234,7.725233425655222,8.529794187401725,9.313669603867828,10.072930592369133,10.804388675328482,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_8,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179213183941736,0.9009861158451432,2.1432377941025336,3.991646005040888,5.847471577567444,7.103241272934767,7.768146603552835,8.079706390610124,8.19667213497745,3.3236681874402167,0.7095461949078558,0.0232239812427858,11.427524823551948,5.476951966982918,6.6997829033016005,1.6636975165186587,1.7856514817020908,3.886923784407524,0.3159132810302132,4.312957729943797,0.2022775074257804,15.24652302911472,-1.373481328600042,-3.0649122395684545,-0.3159132810302132,-3.900787576841748,-0.0188617892953686,-15.24652302911472,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0009,8.76490754937128,9.574362419159383,10.351109552383557,11.093025451688373,11.798845385677538,12.46797760070589,13.100388308329736,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_9,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1639515921897971,0.7980920388450405,1.9628309058420044,3.7529416660512,5.592941942666571,6.847477777328924,7.513388562085359,7.825709837883397,7.943003249814764,3.098631740566105,0.6179046152028664,0.0107892225211034,9.745107180735827,5.014770535053,5.34971948247589,1.319373274379567,1.8898736408181689,3.888906554978983,0.1093560822996952,2.6885673745157948,0.624230396972557,11.410404917381817,0.8439096457586754,1.5872083937228243,-0.0998367167122033,-0.0547374266076161,0.5478239298465829,-11.17242077769452,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0009,6.212535891716066,6.9697066099806335,7.72291219925056,8.466586180686452,9.196282989847196,9.908218766892285,10.5991415376188,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_10,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0987943148592345,0.7035564136811129,2.150873760704766,4.290685838820396,6.312220165518839,7.633779342305601,8.323047214135434,8.643978352264126,8.76415490382371,3.534299386315562,0.5077822408142748,0.0035006333035019,13.16022854472958,5.979702332667226,7.919029411454041,1.6072649872545055,0.6460034559863884,1.3659973972970088,0.0753051908813253,1.2484449830369906,0.1462743050114578,4.736121097558448,-0.1070484528268648,-0.291132486745813,-0.0753051908813253,-0.7094899798774673,0.0935606713945301,-4.736121097558448,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0009,6.806183650451108,7.658959750228488,8.50033148955551,9.32297500013682,10.120902843682911,10.889389363118111,11.624933432778583,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_11,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1033971550005318,0.7154222474103685,2.1501898457901665,4.263337535405854,6.257573103695509,7.559494379233144,8.237967152806108,8.553751675726913,8.671982190335118,3.516502156676333,0.5190593838556731,0.0038440037900629,13.086228394485277,5.906120480343207,7.810721595144913,1.6548098575152428,0.7982911265801722,1.7126133827995187,0.11691591207103,1.7336184231484126,0.1360222161949951,6.329773874321463,-0.3708679941301286,-0.860182058597775,-0.11691591207103,-1.3061952906983691,0.0541810777452741,-6.329773874321463,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0009,7.169720013508737,7.9600936085121,8.737283298477823,9.498603440411644,10.240588788836025,10.959655482323624,11.652580878383953,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_12,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1537101355437202,0.7730785265340173,1.9063784002507127,3.7458336926379694,5.724463670557743,7.092697618888623,7.821455220051603,8.163545084958342,8.292048475344057,3.05916443062633,0.5969589722482126,0.0093652805810186,10.371387419934424,4.809991077847328,6.00355289944927,1.2818499067434217,2.5360602919070208,5.357547710697009,0.1524253649668598,2.223697561013493,0.6070009634187341,11.181379483569218,1.969160173881177,4.110054522175003,0.039045341361691,0.2710804883249211,0.5031752685368603,-6.394611825355448,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0009,6.070473737813849,6.909990015119091,7.742847921992941,8.561481300459075,9.359813255756071,10.13294223430216,10.877038332636015,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_13,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2149078555702376,0.8959922394029656,2.1548807011349163,4.033875472763554,5.909014640220715,7.171911274590142,7.839020376913146,8.151283584941458,8.2684623415888,3.355957176659836,0.7040820883904302,0.0227842769364478,11.658724619352412,5.576148592186459,6.807516594709795,1.6796021404297634,1.7556791499265312,3.818147105664057,0.3071826587599348,4.21314042000601,0.2053097365424284,14.922048924831351,-1.3161474376728173,-2.941567035330864,-0.3071826587599348,-3.773608707752296,-0.0097181245895257,-14.922048924831351,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0009,8.723490610955283,9.544726169136212,10.33327923784544,11.086569511580846,11.80298931873285,12.481719701244511,13.122604370096704,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_14,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0661317803170048,0.3725364022795693,1.3311142261558089,3.302313359166261,5.47171457700431,6.961061080740526,7.749812475262665,8.119014926005033,8.257534472413083,2.551444166897643,0.2712380124638353,0.0044113458648023,10.154371181260728,3.156951053537543,6.100541239527375,0.4653395755535836,5.522322868336712,12.23488863008194,0.4959851335815457,2.8163668938506192,0.7778466402062085,19.26931803776049,3.535027404494053,8.231765046597541,0.4574201582953769,-2.8163668938506192,-0.7778466402062085,17.919543902744582,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0009,14.509331781675453,15.26825064737894,15.94196100152672,16.544586651233637,17.086808879960934,17.57689106096361,18.021390730378265,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_15,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671274196010635,0.3709560456228245,1.2401106871882437,2.937334979562705,4.806803617203075,6.103455851042513,6.794740237068933,7.1193783909948944,7.24134861798272,2.293514390220637,0.2723226070290933,0.0045340499134465,8.266844441251974,2.384040766560115,4.98598168511281,0.2487034041747383,4.669509013630727,10.265846101717088,0.4647980646178924,3.9329002899858696,0.7060439348482238,17.778803517418638,1.3765532414529824,3.396280078125104,0.1716295411803927,-3.9329002899858696,-0.7060439348482238,7.517905197106156,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0009,14.535538349132016,15.268602556306272,15.92577520884212,16.51788817667871,17.053565127946655,17.53975866022484,17.98217110231512,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_16,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707081280213841,0.3967367883639598,1.3827445500035405,3.4364754921068914,5.703110470025859,7.254416263192735,8.07390686632888,8.456986250507244,8.600627665907629,2.651835216682205,0.2905556395573856,0.0048291642289604,10.830736553957903,3.470548698517645,6.5799192769580985,0.7144803036629299,4.460052133623528,9.870379530310576,0.4070703367383778,2.4929779701781163,0.6347399639218189,15.7707145964271,2.62916931564049,6.1489457545475386,0.3391635000262557,-2.4929779701781163,-0.6347399639218189,13.393975311502825,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0009,14.371344734230124,15.09479213342537,15.741116549530515,16.323457215075116,16.85144862117731,17.332343861825986,17.771775959234766,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_17,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0665062073341831,0.3948831783257017,1.459870655654662,3.4083876495772736,5.368193847253172,6.664820294581337,7.342229379486368,7.657667124095988,7.775778435523915,2.694690063960031,0.2824950396531629,0.004422220941527,9.486898197857146,3.4041139777991942,5.61836178086453,0.665657024767197,6.668224456727617,14.799750145280196,0.6930406649364326,4.820964786202846,0.837675251002227,24.101641046117795,3.3632123154372686,7.8680209037508,0.3629000479230291,-4.820964786202846,-0.837675251002227,12.546719450648675,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0009,13.986566751467686,14.808131615762536,15.536820511925614,16.186883467214635,16.76978048819425,17.29471548042257,17.76914499046546,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_18,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.072578816187102,0.3916166299228872,1.349374384812715,3.298380379748343,5.44749480671256,6.925625708501866,7.709136600792807,8.07602980937465,8.213705044290117,2.5558110567736065,0.2875554729646361,0.0052592036432058,10.064495965277777,3.1561562495607376,6.057519977321646,0.4752538070962393,5.911490981050593,13.114717048765732,0.5435333147804492,3.072107306905674,0.8041613836733907,20.572892164767325,3.84317713719096,8.92764722921419,0.483273855560767,-3.072107306905674,-0.8041613836733907,18.463811092078448,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0009,14.34266412353364,15.08548671332727,15.745293542241344,16.33573128670913,16.867479105019168,17.348914286475374,17.7866732508403,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_19,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692027706246261,0.3595648134177086,1.19404785769428,2.8807067087061804,4.759878271701127,6.0668521206815385,6.764128577366957,7.09164972026395,7.2147118072740515,2.236954096458683,0.2669097255300789,0.0049029623695626,8.280439770806783,2.2583705896731763,5.043295662997261,0.2007271034686714,4.5531540821253165,9.987143713099934,0.4545937480344967,4.074479322873128,0.7115399026097964,17.621489481216383,1.0320652126629042,2.6336278780833307,0.1333240724695265,-4.074479322873128,-0.7115399026097964,6.377050836442426,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0009,15.009140070384408,15.681613807339442,16.282475364537774,16.823609131419797,17.313959108799327,17.760368100781218,18.168189560880503,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_20,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0726081940433672,0.3962742226931374,1.3864295999177496,3.44895458898489,5.7172402610754505,7.2673599698834,8.08575896425592,8.468240907386763,8.611645370838712,2.662114342718953,0.2909414505426096,0.0051685384458056,10.896976267701127,3.498809966561662,6.594224902297996,0.7032723231437608,4.251239996238238,9.395867970699149,0.3813208284716322,2.3744091124974616,0.6233729173091695,15.0969530917989,2.435942340816252,5.714980218075502,0.3225931017446298,-2.3744091124974616,-0.6233729173091695,13.041482656353816,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0009,14.52821901975206,15.239892401005635,15.87360330852094,16.442959102592656,16.95804894636723,17.426499565907758,17.854213104877594,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0009_21,RSM0009.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0594334935627103,0.3743166004177767,1.4190342642688547,3.366463623940865,5.335395085362614,6.638736931652242,7.31959101910284,7.636605645508147,7.755302460575049,2.6508673555377267,0.2657687128505943,0.0035242084500494,9.381582068811817,3.298248550815173,5.571010953953812,0.6200565538437895,6.618585452394347,14.697890568388315,0.6875859444342987,4.701730195343463,0.8228978753086037,23.82099874631514,3.448079793175667,8.049485325660509,0.3720630287835975,-4.701730195343463,-0.8228978753086037,12.777696698540604,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0009,14.176800019167382,15.01742129369657,15.764457224365216,16.431001318022904,17.027761161433357,17.563576131615815,18.045844424730856,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0814_0,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0068159406137178,0.2245713509798959,1.2393762793221543,3.0294525908571446,4.762839340385592,5.8956919480481575,6.485699552663317,6.760213665288541,6.862977209173351,2.3852703181036508,0.129277494029338,1.4839599039737946e-05,8.082992496165774,2.4325367652714767,5.276030791636384,0.4660363909546373,22.26901011773451,50.1824499843849,2.1025079473045944,4.961085249920623,1.1862309716068231,66.83050572264905,-22.26901011773451,-50.1824499843849,-2.1025079473045944,2.910926303828732,1.1862309716068231,-66.83050572264905,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0814,18.506690715486,18.989706405952763,19.378841479130948,19.6961034527411,19.95765638259439,20.17550151927962,20.358654939051902,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_1,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.006048721948179,0.2203532608342854,1.2917508966085938,3.311634471662665,5.318465836597753,6.631989189400492,7.314355693972195,7.631278328954302,7.749817043058227,2.573845004403115,0.1249808649182398,1.0329759616828732e-05,9.421820069242017,3.041537108608379,5.916214188138911,0.5111681670769456,22.162737624726844,49.95260871756464,2.085169542284456,4.859296882686628,1.2015759424173516,66.1481798362777,-22.162737624726844,-49.95260871756464,-2.085169542284456,3.1559060369975045,1.2015759424173516,-66.1481798362777,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0814,19.221889968089457,19.701961984778382,20.08701737270597,20.39973664341226,20.656662449995004,20.87000428662071,21.048887071040333,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_2,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0052065314717698,0.20214160359081,1.2009916332357389,3.0893185730404285,4.988123707878684,6.246225573853318,6.904500192086822,7.21128876563219,7.326205567140946,2.3977120891108608,0.1137756630035757,7.672367069434627e-06,8.24337881972492,2.612985745141883,5.176975981438488,0.4335171846710639,22.330043873992448,50.319924467064055,2.1177847737346336,5.083373410823153,1.1876809068511411,67.5947147914621,-22.330043873992448,-50.319924467064055,-2.1177847737346336,2.7276779361304824,1.1876809068511411,-67.5947147914621,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0814,19.934152852041404,20.3793020771987,20.73412107566708,21.020864484378123,21.255518392031288,21.44974068723337,21.61216107198828,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_3,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0063037774723431,0.2253740976602928,1.2865120521622329,3.198607023077655,5.075701469366402,6.308453347343807,6.951227318252365,7.250359618016639,7.362343283849669,2.506331483822418,0.1281061456153112,1.161473066091222e-05,8.75096424732456,2.7830825216704542,5.555286112531619,0.5039722864232323,22.192390117242915,50.020615343321126,2.093762190641691,4.93275617045737,1.204217137346354,66.60140275870377,-22.192390117242915,-50.020615343321126,-2.093762190641691,3.057512357623556,1.204217137346354,-66.60140275870377,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0814,19.61201836328543,20.094624931537016,20.48208259821809,20.79702494952077,21.05598766602018,21.271188293859336,21.451764797745174,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_4,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0057826809791832,0.2182753549311927,1.2769176295436866,3.191101519783784,5.071167981255615,6.307593431179946,6.95292507312275,7.253399924891678,7.365910958321901,2.4981460159102165,0.1228563922779239,1.0175057178644098e-05,8.737605686173252,2.7579232180812503,5.554550319422966,0.4928196232141116,22.17783549930278,49.98518463632516,2.08754842587298,4.872745611172977,1.198968163194012,66.23921231459468,-22.17783549930278,-49.98518463632516,-2.08754842587298,3.1217770937133817,1.198968163194012,-66.23921231459468,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0814,19.75586625939169,20.229984623252165,20.60950842457555,20.917240650191136,21.169751539779995,21.379226316277588,21.554741176158856,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_5,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0052318622567301,0.2008855497187034,1.1942681642300128,3.087054663878818,4.989324892863452,6.2459726441817525,6.902230016103514,7.207794931700829,7.322208222273433,2.393167228489991,0.1132975687061193,7.79392932987052e-06,8.279410418089617,2.6068165732356285,5.207274563178194,0.4275248272385091,22.34708520233193,50.3543839589192,2.11825135656226,5.071931076415193,1.181188709809426,67.54216894769856,-22.34708520233193,-50.3543839589192,-2.11825135656226,2.706903945169993,1.181188709809426,-67.54216894769856,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0814,19.81723063776473,20.264485947933544,20.62081060447096,20.90865142212009,21.144120112404995,21.33895811531567,21.501851620765425,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_6,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0059897446996291,0.2191480896829595,1.2754004133343653,3.258675839598531,5.240488024057182,6.544454317345956,7.223709922012259,7.5395786527412305,7.657783876699892,2.533371274678855,0.1243290038712179,1.0041412312289446e-05,9.214227952325071,2.913000051568699,5.830444792646079,0.4926601863145042,22.09165587433088,49.7954249076423,2.070213457660801,4.7509056175987405,1.2052205230095498,65.45666266460172,-22.09165587433088,-49.7954249076423,-2.070213457660801,3.346636464382712,1.2052205230095498,-65.45666266460172,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0814,19.74763784786813,20.22591399553309,20.6092491047072,20.920376091502,21.175856780038288,21.387901698129088,21.565627654859945,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_7,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0065427167396804,0.2213964943973951,1.231891934309462,3.0226779613062,4.759760913521864,5.895138255592789,6.486358473658756,6.761403935507857,6.864360559914527,2.377591844070107,0.1270227320804468,1.3346888651994742e-05,8.081599114908444,2.4177952818262023,5.276649982557744,0.4577432011738179,22.280625472441617,50.2071387604171,2.103981595787245,4.967153677005324,1.1837066737584103,66.87558434289907,-22.280625472441617,-50.2071387604171,-2.103981595787245,2.8875217612604174,1.1837066737584103,-66.87558434289907,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0814,18.666401711818786,19.15061492141684,19.540245995027497,19.857568053917948,20.118915375010904,20.336398460650653,20.519103501835367,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_8,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1465224121006842,0.4738624020590173,1.1479769185947286,2.362823529581989,3.6267559663545352,4.46908569527749,4.90891516929142,5.113499103226574,5.190056359658849,1.9106890379210608,0.3840439765083614,0.021799353640196,6.595759548721565,1.284470323724613,4.661409818025884,0.1192491918233378,4.935617912064028,10.760684525403551,0.7384557199820712,9.025973327101257,0.5309530946573877,28.35514418817245,4.935617912064028,10.760684525403551,0.7384557199820712,9.025973327101257,0.5049918040171113,28.35514418817245,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0814,3.677808889078772,4.410623142368388,5.146815345521591,5.8699368925400695,6.568634807410301,7.235779380979824,7.867536283259016,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_9,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1282610777619819,0.4465470908560265,1.179414835581018,2.578012823792384,4.034617491786204,4.999619669764546,5.501665417599503,5.73478124313879,5.8219508677064535,2.0554488306079928,0.3567445893739481,0.016779108159032,7.384865014661553,1.7717552782431405,4.907702982888069,0.1917079935215397,7.42757944489036,16.4002604205346,0.9624332553632342,8.194410190877614,0.4228438798519311,35.34937575108119,7.42757944489036,16.4002604205346,0.9624332553632342,8.194410190877614,0.3238062327530936,35.34937575108119,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0814,2.8448290301486625,3.467423164753588,4.127227431918732,4.804738815302632,5.484249473785384,6.1540811319346265,6.806200812342416,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_10,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.154008640483525,0.489024124320521,1.1738020830471023,2.389358158509232,3.649317282291881,4.4900127950251845,4.929591116738238,5.134216069916007,5.210815293410846,1.9382005936411184,0.3970586577557537,0.0240214628641467,6.609414475171034,1.2527301991998698,4.694297317425226,0.1180911180352517,5.074859356840589,11.009017347528898,0.8096815338086577,10.932666517667002,0.6443386026095695,31.76076768713948,5.074859356840589,11.009017347528898,0.8096815338086577,10.932666517667002,0.6354865296146717,31.76076768713948,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0814,4.075758108874821,4.8124746225593,5.542058889042178,6.250742547044696,6.929297320805012,7.57205547684556,8.176029751050043,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_11,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1086926726472836,0.4130312331675157,1.1184201878752107,2.460288362816321,3.8717207125960615,4.813722036820814,5.305580806593432,5.534333873270207,5.619928691654456,1.9575389806820391,0.3258746202054024,0.0120790286808995,6.847910491552514,1.602585805231475,4.610974493471206,0.177462746421976,4.189133919352879,9.107968072835693,0.6548144430841133,8.516061844542898,0.4957055854857484,25.564179900170416,4.189133919352879,9.107968072835693,0.6548144430841133,8.516061844542898,0.4826829052074216,25.564179900170416,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0814,2.3331014477804914,2.8823910642007284,3.4838641878162084,4.119795231849674,4.774550669438384,5.435506787985762,6.093127543037489,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_12,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1571943151969117,0.4832550887623155,1.1010464679944567,2.096355735126928,3.089775128467489,3.75361886380168,4.103114766959212,4.266510533838765,4.327799105835958,1.735235333886694,0.3955423633672504,0.0251373349474055,6.093474846558713,0.880487489862821,4.495651050964213,0.0330178164148016,3.187464702784119,6.960757784599273,0.5598778784058122,7.3577409859518115,0.3236143145652265,23.482012476068235,3.187464702784119,6.960757784599273,0.5598778784058122,7.3577409859518115,0.3192036467926721,23.482012476068235,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0814,4.57606722247548,5.362634404914618,6.116281972140156,6.828331934944274,7.494232536469592,8.112359395245752,8.683086122619954,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_13,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1463130426659111,0.4621825025449059,1.0775529602413911,2.167138623929298,3.3389741346389656,4.145898017914643,4.575030837850265,4.776369704800349,4.851987729447009,1.7588955263042805,0.3770378361382914,0.0218816581018172,6.406633601597832,0.9534383735301428,4.705085210200767,0.0426248427046152,3.866588808766765,8.437253278320757,0.6582584929660726,8.58331986336155,0.4042649515087374,27.150613405770965,3.866588808766765,8.437253278320757,0.6582584929660726,8.58331986336155,0.3964172816639689,27.150613405770965,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0814,3.882451714374816,4.666271260452062,5.445305878939855,6.20182137264347,6.924462082971729,7.606865503051797,8.24634182034909,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_14,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1505406502935656,0.4826688467503913,1.1582197742289666,2.3554757221592806,3.598385314484573,4.428620038872568,4.862963381591944,5.065200413430344,5.140913339980346,1.9109133975840988,0.3915061914521727,0.0229741561327109,6.499396712789633,1.208383848495313,4.638418616094604,0.1107562811594841,5.054159174011088,10.963095577832703,0.8099339619066743,10.971046064286805,0.6434408166927552,31.83982262899054,5.054159174011088,10.963095577832703,0.8099339619066743,10.971046064286805,0.6354038909073597,31.83982262899054,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0814,3.845649074647207,4.571570362102162,5.298109534632438,6.009857763064938,6.696262437042786,7.350751482785776,7.969845406767269,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_15,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1573195813049936,0.495486147735718,1.2742683566328812,2.781183649596577,4.344797013622593,5.376469467511113,5.912123228679717,6.160627073077941,6.253517783747839,2.2182383733695987,0.4013976646514776,0.0251035656322703,8.36060599410301,2.013751793989184,5.583754843534484,0.2302491936439074,4.5364298105159895,9.886866746005174,0.6994137177125154,8.750646278027554,0.4937766486631919,27.296189556340064,4.5364298105159895,9.886866746005174,0.6994137177125154,8.750646278027554,0.4740467447462124,27.296189556340064,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0814,4.015029813873962,4.771935684321768,5.515316103794101,6.232421067871921,6.915035206094827,7.55841268934039,8.160364139807081,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_16,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401535651884632,0.4442410139030034,1.0039969641407582,1.9862102929461205,3.046173847328628,3.774566272736519,4.1610766431757815,4.342195062373984,4.410181385408428,1.6173550101223917,0.3636792903674387,0.020141751805384,5.416702175989998,0.7866019415020705,3.984645051603185,0.0292722700530282,4.049835544163187,8.822784653500205,0.6755426465371529,8.878105051785786,0.4481377492535626,27.46400328928271,4.049835544163187,8.822784653500205,0.6755426465371529,8.878105051785786,0.4399081540439251,27.46400328928271,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0814,3.956332822778108,4.726877081991604,5.499936556642013,6.256939383326782,6.9854248625352495,7.677920746418784,8.33075023145463,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
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RSM0814_18,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1820634006052503,0.5181818296989893,1.1607215633225347,2.225237821966244,3.3086452535488147,4.038515071189238,4.423834133188782,4.604152775461446,4.6718128713646605,1.8357840291692875,0.428496285156811,0.0336838359117885,6.598415186231984,0.9845976447339874,4.833409899670679,0.0400770095283625,4.136360326392897,9.050361909062676,0.7396372168913922,9.606746197958,0.387473849128465,31.422519449731706,4.136360326392897,9.050361909062676,0.7396372168913922,9.606746197958,0.3810922510775216,31.422519449731706,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0814,3.826734881097802,4.287625961181065,4.727073121011122,5.138996427496993,5.52058556502458,5.871248726780329,6.191791027225734,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
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RSM0814_22,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1459410959321623,0.4546616381718128,1.0429351867499612,2.115493989184208,3.2773453764959086,4.072802423766734,4.493824359269796,4.690870625617635,4.764796877110521,1.7109249441473375,0.3727172923966363,0.0218162360677994,5.989752870073903,0.9375443004073736,4.367954329692904,0.0511480097015908,4.377750813079796,9.54068252362713,0.7246809794177959,9.444762678983835,0.4783121419382056,29.378045804622644,4.377750813079796,9.54068252362713,0.7246809794177959,9.444762678983835,0.4678773423748011,29.378045804622644,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0814,4.520814578665011,5.325031312876679,6.1162550903449056,6.8787734195724015,7.602914999096328,8.283630641389127,8.919217932978999,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_23,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1458260174244462,0.4627140538962271,1.083281454347751,2.1873195916677326,3.377186817809652,4.196851991416685,4.632747483569396,4.837246461832982,4.914048670010287,1.7732113835787149,0.3771143098728964,0.0217227345440617,6.506212753252711,0.970236057840668,4.783021329048091,0.0467217344873486,4.036115643193678,8.81097481462421,0.6922226173252984,9.017403097961475,0.4147545665823118,28.68575018725184,4.036115643193678,8.81097481462421,0.6922226173252984,9.017403097961475,0.4068046596703892,28.68575018725184,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0814,3.7415616652917496,4.515092971222707,5.287250224992716,6.039772523025511,6.76073741624002,7.443261925348869,8.084215964716329,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_24,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1421256201111483,0.7425638660215418,1.8140229842890967,3.290759682880143,4.691064672323329,5.609057631739958,6.088114206608926,6.311184300014203,6.394715321503031,2.768910251227146,0.5700109677082524,0.0081417355466752,7.082398715672994,3.705872217319212,4.068008576765048,1.1306256866367923,1.8195811813769776,3.776773550902632,0.1298453119573347,2.71829862539266,0.5436347813178279,11.309688254013349,0.5989308682719605,1.09066906309876,-0.1142847506636686,-0.4787330306208834,0.4531320769800354,-10.873992537790691,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,6.72325390318647,7.550521444210663,8.378111258085923,9.196551181548733,9.997852151452928,10.77551976017305,11.524542131311534,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_25,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2653961514380762,0.993714396971381,2.190130818439099,3.5625225454710385,4.705627349152759,5.421512705640288,5.789870179729635,5.960586962477283,6.0244066483850265,3.10619875238486,0.7910166890260234,0.0373913794856104,7.959776324747269,4.797423795609198,4.686409699194496,1.8289369400411364,2.3336217594520297,5.13675784148337,0.4231799723633839,5.256347078236262,0.1722793081131484,18.859243479190017,-1.6411143752246768,-3.609855709151725,-0.3717672545719573,-5.1550859486103136,-0.1226613545964342,-17.419687381030073,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,8.026133640149167,8.708160269210499,9.37793322891406,10.031872543555783,10.666214419019004,11.277591564150187,11.863333184010536,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_26,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1747764972156152,0.8279308767708841,1.9474668126727688,3.4843203859549896,4.941208171602277,5.896599766904494,6.39530355088523,6.6275536556635775,6.714527337376629,2.941387466863131,0.6450174430966807,0.0117443574632972,8.022847806549601,4.120299321000668,4.800569430817438,1.328734315229709,2.5879916425407004,5.50783114558566,0.193554380884648,2.668650934430098,0.5509555596254857,12.774662503630047,1.4678788087985448,3.0429646090686933,-0.0304681858637829,-0.4882717258308023,0.4195446478817539,-8.208249043045829,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,6.1470588579894745,6.890643606820946,7.619175669472646,8.330520518956893,9.02362973185978,9.697617807844216,10.35146404191886,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_27,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1828909535880939,0.8516684611984262,2.0146706723327887,3.519648530967606,4.919594352885837,5.835871248558128,6.31419031962919,6.536976555572722,6.620411677849455,2.9943328182307374,0.6600158380737544,0.0152125437911902,7.937689660338917,4.51753715725176,4.384309767551242,1.5017230938466193,3.093295181516229,6.759868173736356,0.4676491469423161,5.75327981850098,0.3349588450003415,21.84613536540457,-0.9825248775992768,-2.2091858089903904,-0.3475148648807851,-5.024053758291634,0.0106077991922588,-18.48237546768172,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,9.539728362832845,10.325866083016257,11.09409175791006,11.838283652102833,12.55322420394042,13.235063029001036,13.88136974651208,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_28,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0981631319913888,0.6961751302637579,2.0177985398893945,3.6935168057584336,5.122301133172098,6.022282624448984,6.4863832325522575,6.7016783520309575,6.782194929334693,3.128603629740806,0.5040860581842653,0.003498234096509,9.071246807178523,4.409185418747426,5.446592199896799,1.4659328566817078,1.3772408609811058,2.96874922653526,0.1797493151773517,2.4523741907612577,0.2281256871623537,9.483322331446244,-0.2186627398820439,-0.5431196341513467,-0.1394314049952782,-1.7574520367560416,0.1033091142927594,-8.354420846348187,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.732397774921506,8.544447772387269,9.352347439231966,10.148511940698898,10.925689585093648,11.677690508446966,12.399708620497616,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_29,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1195947633730745,0.7798017146347009,2.182858498878263,3.880730804857125,5.264074872504998,6.111453907347173,6.542668863430306,6.741549122819038,6.815750203885816,3.318162907782349,0.5707203591574042,0.0051766385816809,9.756088744081168,5.024712095372075,5.74945558654457,1.7038780570572338,1.5582943589084148,3.372226690704834,0.2158515951366618,2.870242476522759,0.2316628587637204,10.967625927708198,-0.3697412349698984,-0.8705158914752765,-0.1697555236390007,-2.211794174807347,0.0817191439554987,-9.676935925773687,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.35551005295846,8.027537710700557,8.699252529059379,9.367431256686409,10.028141326549012,10.677249181899372,11.310842984853766,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_30,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2042269927858386,0.8951033883233777,2.0873912657184888,3.6360081964889774,5.0745612674542775,6.013861567347137,6.5035148724303085,6.731429025461081,6.816760628666201,3.0953514628224976,0.6985889913425068,0.0199719679760641,8.381714189096503,4.871615973445722,4.590296257318402,1.6258303763388655,2.796605052174234,6.104084531750692,0.4168149640499393,5.166915537014772,0.3183357480284907,19.667749166082768,-0.8358727952368388,-1.8893718603254408,-0.3096806054322752,-4.438228404180514,0.029243632158975,-16.667987124788173,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,9.486094268457617,10.23432240426312,10.97403923684635,11.69762839991646,12.398350105142828,13.070940007638333,13.711737561082348,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_31,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2388969320877599,0.9456742707522624,2.119005552548143,3.440994874426828,4.512039204096507,5.172089517924762,5.509466773325857,5.66541459107896,5.723653638434297,3.0058689898428805,0.7470930159633482,0.0300410676071355,7.496131031125207,4.465638385603096,4.4522248098164905,1.7198442934684453,2.445155491708719,5.3854365546413465,0.4346335075990367,5.315347817387446,0.1771696522173755,19.249539338962023,-1.564026398107445,-3.4369766713573937,-0.367202870364196,-5.209671051986842,-0.125388037171079,-17.36148149638648,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.352759554044428,8.103913029105454,8.840161747851138,9.554790478029725,10.242580476006903,10.89978759627925,11.524006532219822,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_32,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2586910765586732,0.9895092007343584,2.189612106176663,3.555307658998393,4.685818817159364,5.391795793929695,5.754651026769646,5.922744627485415,5.985573093971585,3.1024236409134995,0.785627918193647,0.0345596197684298,7.927514081848969,4.769207407910253,4.670258470693058,1.822830631091831,2.313749744045596,5.092209798863678,0.417002085327731,5.172629011605764,0.1729434897081068,18.596662535362977,-1.5911947675307805,-3.5008236559747408,-0.3639868169875442,-5.059749621003096,-0.1176325883127999,-17.112235021837748,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.962668034190234,8.668657256995514,9.356038953738867,10.0229734387451,10.667119925137428,11.28619028258748,11.878289806159364,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_33,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2455899294792485,0.9787216303354777,2.193785504758724,3.7557180694955,5.224388250983777,6.192728953950644,6.699816288238404,6.936301355173975,7.024910762620657,3.2088486623921906,0.7741255773963446,0.0293092355260638,8.993801517817937,5.173525330653234,5.057971612919067,1.7883469305171102,2.1628159079507943,4.678997248132506,0.3262660191374618,4.4860552696910085,0.3174915183945525,16.550455746264635,-0.9404616215574462,-2.149926325981911,-0.2943894867641862,-3.63028110559033,0.0899022183076612,-15.657912839812916,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.103576194777301,7.782076903524229,8.457139170869379,9.122579114465516,9.772746981728408,10.402836927957996,11.00905212483986,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_34,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2485880708596387,0.9897278261372094,2.1668051582444385,3.5490388238046524,4.7900275433100825,5.602215322917613,6.027810090977345,6.226496282955056,6.300983726264892,3.0772190235161565,0.784422352425624,0.0283270605926995,7.701854292088616,4.679650766915704,4.4022796607797625,1.738569768120554,2.712143448698591,5.920008436864938,0.4313017504093433,5.503787454690093,0.3032363126923572,20.3751347591509,-1.2348907235708169,-2.765645504990853,-0.3581050840445383,-4.8682963927575775,0.0031550040649372,-18.32562810093636,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,8.357030649940187,8.99565775311707,9.625862036608256,10.24454688581585,10.84856759454244,11.43501210597715,12.001392936469658,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_35,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.131152991197942,0.8172522435880503,2.2460374621856496,3.948430302788758,5.327857587976191,6.174278994611927,6.605859031837633,6.805122919599409,6.879502676311529,3.3865655177410927,0.6020816328527225,0.0061140008114803,10.04321742873357,5.233265245815171,5.961712379368455,1.8086284509612949,1.3729927910552129,2.9549283819064014,0.1734246122516639,2.3863061710211264,0.2376084180949932,9.304726525679,-0.1534291547684277,-0.4040424838197023,-0.1318597769130642,-1.6447381411282378,0.1172503104022935,-8.140911136198211,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.531506363034226,8.144111871027114,8.755712226874953,9.36600051998652,9.973321827762122,10.575045679721386,11.168040226597244,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_36,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2364510323700058,0.9487656045977916,2.1277483347381496,3.455838251007473,4.540309433168253,5.212988995668361,5.557917923226293,5.717576551503779,5.777234752445176,3.0177755050193324,0.7485764644418642,0.0285342926781712,7.554464426431434,4.490269435360601,4.483060409128347,1.7229018801908489,2.4192792014574453,5.328327709961904,0.4322749022489923,5.301232526672094,0.1749056631126471,19.157217847129527,-1.5833332139339846,-3.479629045952539,-0.3682475808292934,-5.201600735475172,-0.1260860854261549,-17.364452847377954,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.084350872373213,7.805142095952458,8.514677578867863,9.206387455895316,9.874996888228324,10.516554649961169,11.128349301829134,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_37,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1187564452554485,0.775928566484741,2.178461039014236,3.902756612336173,5.329789071601403,6.210563835554121,6.660048103758204,6.867575319479472,6.945033657758558,3.327729584113067,0.5678323471125568,0.0050775318734901,9.89532225462884,5.058329059620291,5.824024034102088,1.7051443623910325,1.592423605820779,3.4539080015214383,0.2155272900712381,2.7624056948833724,0.2248780560142891,10.748514193883551,-0.2549402773875396,-0.6113122864003936,-0.1539454865704256,-2.133113106709476,0.0755484980519428,-9.0242236958608,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.167752129887993,7.841834164133754,8.515589720662868,9.18592112646924,9.848946190896427,10.500520227802753,11.136683301174516,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_38,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.126338795527157,0.7968279492432855,2.2059558913722315,3.900945319292801,5.284505833153542,6.135993732892876,6.570575509395126,6.771290381920679,6.846220352357019,3.339685981564122,0.5857302831799566,0.0059174650937139,9.752435448251656,5.076688565104448,5.759366754407671,1.7403102492572742,1.838596986383216,4.003368004707356,0.2256774350188773,2.610139127730854,0.2385266461080999,10.863370950584327,0.1561989355296528,0.301163609105447,-0.1108021751518351,-1.936408694288972,0.083424323091562,-7.646863674307147,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.646133548563058,8.296597867038228,8.942103317065675,9.58250123075882,10.216203245163802,10.840667452530404,11.452914696625587,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_39,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2296272526803469,0.94266653629009,2.132886342131173,3.555720330166411,4.800751681448777,5.599684476346235,6.014628422646095,6.207627124646035,6.279875896719744,3.073183404402108,0.7423436833706715,0.0255817907618448,8.163621614968614,4.688033849179813,4.808689886324332,1.72033138156528,2.542413232505268,5.603066154101705,0.4453492494969958,5.372213655635204,0.1797108504435356,19.60331882713968,-1.5038606108835628,-3.300969844515273,-0.3639055191807702,-5.270263932650094,-0.1299975309464555,-17.32289437828536,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,8.229948773610035,8.926142034802618,9.611386578239818,10.280323005110557,10.928336630383743,11.551800985919712,12.148118840772344,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
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RSM0814_45,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2495436919470819,0.99157180168592,2.1742372714761067,3.559285268835659,4.801678532383908,5.615338769846989,6.041959754425168,6.241187654989455,6.31588848386339,3.086881103116001,0.7855246374140138,0.0290693018740802,7.729707234589101,4.717978410709194,4.404410478097296,1.7490435067529264,2.7188538106128464,5.931872425290209,0.4455472323620273,5.786303105218338,0.3055423403539901,21.138660148505284,-1.4605470884014673,-3.265116581837538,-0.3903329474408355,-5.162960659600666,-0.0049603651763989,-19.59266017071191,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.291954351219384,7.923032210460643,8.551923045067793,9.173261085702622,9.782254161455295,10.374792747369424,10.947528651096746,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_46,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1738555416541342,0.8145750682864906,1.9170352389352705,3.451543377442513,4.926794437737284,5.901225016599438,6.411408317629707,6.649300694354826,6.7384314829452805,2.906414148588849,0.6350833739820704,0.0122635523139306,7.992857690617889,4.041893645834648,4.729698666874756,1.2669530480878168,2.0639761210296164,4.322108094644356,0.1553993029720139,2.85158848004064,0.5532534211216453,12.175015986484366,0.7630842384011928,1.4594278605426123,-0.1047790735536707,-0.6066607589207763,0.4457394147766942,-10.75764956277076,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,6.802087009306609,7.559790045637941,8.296965559939698,9.012147728968833,9.705074263943697,10.37567616728614,11.023707693241384,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_47,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2310964151101748,0.9470834232537456,2.136311951720162,3.5443430591676783,4.766379340937026,5.547992109744861,5.953488305919274,6.142016350300088,6.212580852137538,3.068556445148947,0.7462505754597484,0.0256088202447826,8.108396280080004,4.664591390850911,4.782534256504611,1.7222749755774718,2.507408254570448,5.525257884788489,0.4484590585347561,5.473862449678618,0.1760166449533198,19.7978721923302,-1.6320610679049583,-3.583859611723414,-0.3794348059603251,-5.392294167619085,-0.1361790897066484,-17.865193120246133,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.8620631939167,8.541377757770713,9.211638167633652,9.867417406723566,10.504030531854893,11.11776151747812,11.705901768819334,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_48,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2373350437338455,0.955063464139674,2.1067491249890784,3.4787269392003,4.714953179246322,5.5249257823915885,5.949721357468008,6.1481321317755535,6.2225331956881895,3.0093125914948606,0.7559053765206394,0.0266500908244715,7.558516094690131,4.459123932207,4.353068618226856,1.6515696369916828,2.276846752463741,4.935885998103397,0.3807887720565678,5.302561682755278,0.3067417015082849,18.943372276507297,-1.5195991646791571,-3.4183906577572407,-0.3785004113720118,-4.57163024284309,0.0402467700858016,-18.87929817733973,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,8.101502902342768,8.800518579621745,9.489081352764932,10.162409598016412,10.8161249414111,11.446575030654364,12.050975036099496,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_49,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2348156937275478,0.9489315639703152,2.102435428910424,3.479795256357502,4.715880219746648,5.522671637393303,5.944965941556139,6.1420344865557865,6.215905367913053,3.008925935158333,0.7502939120046387,0.0262812962320498,7.58501437670378,4.458019420391399,4.359890478176224,1.642217563580341,2.242440611027156,4.852474004113238,0.3658792682817887,5.143238275513926,0.3188295369449421,18.45763809591082,-1.4017762485865428,-3.1668146947434064,-0.362964103640951,-4.336098306442946,0.0627869282637112,-18.376013485967366,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,8.261544389350043,8.974109839454428,9.674526621467162,10.3576917504891,11.01917465829304,11.655447734340044,12.263947576482334,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_50,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1253866696225982,0.7918939410896432,2.197295255759861,3.887931339906528,5.265281055020912,6.112312665197449,6.544576321598911,6.744224563222466,6.818757877727194,3.3285273977422403,0.5818684089582958,0.0058701191515573,9.698057145862595,5.038615202262773,5.735663897020931,1.7184007501366956,1.8406067905883137,4.007481131535357,0.2288815385043406,2.6696678659737034,0.2383874099908368,11.025188833242709,0.1084532014612044,0.1957870866745187,-0.1175491793210811,-2.000930004531669,0.08095364201738,-7.907882776111445,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.684008876676707,8.338828363565453,8.989768597843252,9.636203053728742,10.27615124958655,10.9067715859202,11.524871591573216,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_51,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1405497173058939,0.7414630782485059,1.8148353660086272,3.2993133567293214,4.707362122129604,5.62878239448658,6.108995633535313,6.332454541792534,6.416106818704511,2.7742975893845743,0.5686202935691588,0.0078242096678563,7.179798321201462,3.702806976596821,4.16766111793331,1.131125137208185,1.826479480051972,3.795409336380218,0.1328405067556271,2.7312443139350275,0.538104861521742,11.35481967992701,0.5858295348079013,1.0652946180734884,-0.1152894822931869,-0.5207720803932162,0.4455552824043641,-10.863390994978683,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,6.641795626046543,7.470645844145364,8.30255897987477,9.127148883787292,9.9356421843367,10.720919170829196,11.47750431137794,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_52,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1330094178725511,0.8227293094727212,2.252041828787102,3.9491874787411567,5.321245830077739,6.161947323525733,6.59030737524338,6.788021944953209,6.861813742362327,3.389555573791579,0.606757028686601,0.0063398149729528,10.01984428840496,5.244897606276912,5.925585402026747,1.812276026322344,1.4113258426027584,3.0413205611234178,0.1865739496724969,2.565967365130444,0.2359267685942047,9.858745500619932,-0.266663612537606,-0.6511824903646206,-0.1490239413555759,-1.8531302307098845,0.10626375403138,-8.807345267746145,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.669998963246908,8.281981808461966,8.890617320005303,9.496342784985314,10.098138439613212,10.693891631146622,11.280869080983251,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_53,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1727585484019085,0.8140018094923862,1.924362538347264,3.473742129791422,4.956186206314256,5.931468190675467,6.441086343183251,6.678507127116219,6.767429273203424,2.9239605233283488,0.6340858724161876,0.0120326834891906,8.073922217018879,4.101264306248514,4.754544897593744,1.277120167410828,1.9422861168385788,4.048013923375342,0.1439247451303952,2.8336632905288663,0.5523773817403052,11.874868321580394,0.6474946585084447,1.198757990164048,-0.1150335465356315,-0.5761312990216274,0.4523523401138976,-11.065914760927008,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,6.869990139661172,7.631107059413335,8.37283295893961,9.093446936370064,9.792368272421374,10.469210890360582,11.123452925851582,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_54,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0963980485048785,0.6861141886799925,1.995770340685708,3.670424191980874,5.107296994110209,6.01484116283552,6.483302011366431,6.700699178302843,6.782013066728259,3.104318619438001,0.4965683653034696,0.0034091178721437,8.90043045064167,4.350773617703244,5.317584100668685,1.430145437559263,1.3137526888890805,2.826735187855043,0.1731988251747055,2.422980433363689,0.2265795302143426,9.272742091401163,-0.2647006423451774,-0.6467334470991659,-0.142491841072146,-1.7270587039992202,0.1061080271946129,-8.4129465365295,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.665891005881221,8.493563831681046,9.316140168016496,10.12582280513744,10.915216107786293,11.678060130767989,12.409546193342988,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_55,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2540215301140991,0.9874885941147908,2.2037358457447223,3.773548640574512,5.249951524471889,6.223297692205877,6.733036775099282,6.970773180503195,7.059854367428988,3.223731642313858,0.7832981238660047,0.0323515429323747,9.00048637749188,5.243583660361352,5.021321271833077,1.807906636221797,2.252583611607593,4.881324819971911,0.3339325257909932,4.483388688436832,0.3182680392280664,16.72976696773638,-0.8419332410252809,-1.928320429123064,-0.2849708447355814,-3.635797649991756,0.0857393132007567,-15.35883989818485,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0814,7.307746568869796,8.015366869928314,8.714855196173488,9.40056060103741,10.067375559938531,10.710996124554118,11.328076352742388,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_56,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1032448135361524,0.6453061581530133,1.8677422715443324,3.641748579393037,5.355447472377023,6.490928131580667,7.086179745315773,7.363864756636988,7.467921771801753,3.010495063227118,0.4723789178488239,0.005346228109,9.895501557116086,3.957764816549097,5.995404874294829,0.9983022491471938,5.580669732441248,12.422131183189965,0.522518097776063,2.651768497316987,0.4940895384413638,18.70134801655626,3.7460113357172906,8.546725675105732,0.3138402572042623,-2.525029333942025,-0.4433938730913793,9.72053857680943,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,9.682807441501556,10.441207192145631,11.178163166213922,11.890847299462823,12.576197546181444,13.231544850915387,13.854919244211688,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_57,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0793075901939091,0.557127536920007,1.7345077576449823,3.573006973398736,5.39631157074883,6.614938196626082,7.256008029708298,7.555512170764575,7.667813648400456,2.9097998054536944,0.4009468357417924,0.0031570273974134,10.02564603690577,3.734671077472552,6.080963010001275,0.8838154865782344,5.826210574509168,12.978070992452968,0.5425761738121937,2.6285897930009887,0.5066855281273126,19.258641614538504,3.9876096932448624,9.105408546713162,0.3442744346590687,-2.570126218430844,-0.4833000982992547,11.03425417556278,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,9.881100511473708,10.757034927793637,11.615159567298104,12.444647299504052,13.23701557670408,13.98650562530002,14.689875358699432,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_58,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0997365778288629,0.6227271815434237,1.8557994528053905,3.716783631986698,5.514989414287695,6.705046241131388,7.329229184461218,7.620571557116504,7.729778303319962,3.053080816742852,0.455615946339338,0.0050087328748211,10.740019107795582,4.101374782844781,6.508248959665275,1.0140114300582432,5.647560691659559,12.57631687759542,0.537163071769521,2.782896961932352,0.4908587363309736,19.074851441641453,3.676171616846899,8.404408207406858,0.3054214345696998,-2.7275942231573223,-0.4687376408209618,9.528672259773453,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,7.443491328396113,8.186981918528485,8.9238214780853,9.647760321330958,10.352605043100512,11.03296184486694,11.684621062162638,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_59,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1104775682368853,0.6709153593754907,1.8932908179885948,3.617868589048571,5.268612880518564,6.361017175530362,6.9337427428008045,7.200961080123614,7.301104162141359,3.0074969637977977,0.4938051600686091,0.0060121873892101,9.729040429648606,3.937833670313292,5.954570620413138,1.0305329832666712,6.440903431387433,14.345494694746757,0.627605765010957,3.4152105883862403,0.5475396115636977,22.15083397018996,4.0408141762460135,9.239333831143828,0.319045877705378,-3.346661050632481,-0.5201197964621938,9.465690789198,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,9.014888560348025,9.73782357202906,10.442093722097177,11.126308467140428,11.788063228676757,12.424793241004345,13.034278161813782,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_60,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1011838739845896,0.6286590578903835,1.8624654024615703,3.682943900924423,5.412781616709411,6.553136178831715,7.151227039307397,7.430493991900451,7.535197592339084,3.038935624682404,0.4604263352820958,0.0051255981351797,10.464701023860467,3.9850132809110415,6.407779791677971,1.0210806130401726,5.586066797480709,12.446680575668813,0.5164206397030885,2.419737130805583,0.4831623713125816,18.2845127339436,3.90013881880877,8.903312561854213,0.342131687861598,-2.377607117727654,-0.4663103660814099,11.102304594894324,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,7.599003507291053,8.337818732387145,9.06922554121185,9.78684556585439,10.484543160458426,11.157119257693836,11.80062376588496,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_61,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0823870120919774,0.5694258506035449,1.7644945028443135,3.647661713382433,5.518713795084831,6.762242972102224,7.413408082261412,7.716884235378888,7.830551811002838,2.9664096989613062,0.4104965985232288,0.003499406794786,10.070955447421968,4.069092332176935,5.950059860770285,0.9256035070005312,5.959815603724877,13.25149810262947,0.5790740475792453,3.3432539582717564,0.5383784097447396,20.878300029710697,3.5550223696841994,8.13927558776478,0.2737676025486467,-3.2096741362694927,-0.4849464809438341,7.998143118475439,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,10.246759368039324,11.186832736867796,12.079342802392548,12.920688148302116,13.708874308887836,14.443448964808915,15.12524013029442,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_62,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1012909433551018,0.6253639140352718,1.875918048156344,3.700063487294461,5.378756354817699,6.4620997936972655,7.024532422533581,7.285977210597889,7.383819353614536,3.061635178253068,0.4575557217439314,0.0051632496150424,10.654378611319595,4.02328344846713,6.514193895569463,1.0225238795432892,5.530934063905897,12.3226868318169,0.5144123237500877,2.461679885341872,0.4791310529827741,18.218377644354884,3.7941072486873777,8.66821901093725,0.3308291784339978,-2.434295096773538,-0.4681771375554404,10.738127888869617,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,9.123288469171184,9.86142609431704,10.591685891931546,11.30841771693954,12.005761634566957,12.678548466396736,13.322740012271296,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_63,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1125235167709176,0.6742363272109103,1.8981303145656443,3.625434337463902,5.275713992267695,6.366029262980252,6.937177673884185,7.203558904169823,7.30337258277214,3.014368273811492,0.4970196283574372,0.0062927537213889,9.754555633376691,3.9562958606818808,5.962860087299541,1.032975549758095,6.3908079100853366,14.23265966841196,0.6221790135367611,3.390900644504485,0.5453472188169324,21.98652330940104,4.003883947505496,9.1555508372181,0.3163315010367613,-3.319824447222397,-0.5169167399040971,9.3972418229906,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,9.44325765721096,10.151417170101508,10.84108709080648,11.51095984916569,12.158874851905578,12.782532366437223,13.379929698532685,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_64,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.104944902748609,0.6486231555366258,1.8736279037965275,3.658749012524261,5.382976969560457,6.524168777473354,7.122019431421967,7.400830823544063,7.505296422217662,3.023242823620725,0.4756004426437879,0.0055252236692943,9.96601944904132,4.002653476560338,6.024393482664912,1.0085357079768094,5.564025565830833,12.38570403380466,0.5179868266067892,2.585182367090767,0.4928941846855437,18.545028183456992,3.7884786169089697,8.639201242453108,0.319982327698432,-2.450338881708397,-0.4389567905325954,9.95063080021085,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,9.713364087423592,10.466006909553666,11.19727534832795,11.904697830082862,12.585425312195031,13.236888723377469,13.857137723622786,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_65,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1075289790926471,0.6504886638381442,1.8813483559593145,3.753837636274192,5.6049469844038775,6.83670755688708,7.4825226526846365,7.783713061805372,7.896559236773294,3.079144865583646,0.4787467735614155,0.0057421751458617,10.7922059538483,4.2532634478600775,6.4928299697369365,1.016339725818867,5.166825591525895,11.501830527153336,0.4584613311319336,1.996180244354611,0.4627376270792711,16.540941747194516,3.951771430932648,8.961611368022913,0.3460487860712138,-1.7271945111306892,-0.3551433337897025,10.699511278646122,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,9.878115081004289,10.623798393952844,11.351672573492584,12.0596973954217,12.744772095225832,13.403714046473644,14.033827047054825,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_66,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0998865101840908,0.6268473832852347,1.8653915469559843,3.688890893627488,5.412514797548405,6.544292901401833,7.136700903643136,7.413066913047484,7.516644624709055,3.0448530290607345,0.458293738494614,0.0049957342140432,10.479904981169714,4.0022167172305485,6.41082130393844,1.024688235682436,5.674152171952318,12.640869160378838,0.5309714389415561,2.5909763257317144,0.4900424033128052,18.802964434913605,3.86407977173238,8.823946036416757,0.3314929560882148,-2.539852727374496,-0.4695929639699177,10.568207128993858,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,7.464299774705981,8.20540772138973,8.939769397867613,9.660568647159238,10.36138467575848,11.036847389444873,11.682916350355462,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_67,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0891556496827032,0.586477904430834,1.7778161906780054,3.647672398652947,5.506127063436086,6.74274863281169,7.39083641813374,7.693007452090579,7.806207316978136,2.971388570923569,0.4263165715250819,0.0040055837487257,10.174227558446344,4.05284599551005,6.0484644583844345,0.9151194984419826,5.77115036993057,12.826259659803796,0.5588590899952663,3.25836476880727,0.5303572414015963,20.27162439210861,3.411347759985381,7.813242838053532,0.2627477713089018,-3.113542113237172,-0.4724281791735567,7.703058366803529,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,9.921888213530018,10.818142780118649,11.679560072619642,12.501378632053848,13.279775758114129,14.012321480010128,14.69800033210694,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_68,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1028346402119878,0.6304300969590982,1.885501049060332,3.709410764280829,5.38344068886222,6.462364786330655,7.022191688348142,7.282365142600757,7.379722532682511,3.071778550641628,0.461664463932615,0.0053273741479866,10.682139712531754,4.050204917227519,6.524205169829853,1.033831740982468,5.453519353968561,12.1505384212522,0.5044173126846135,2.3744856728973414,0.4730651265192688,17.873779290929505,3.788503036987754,8.651404891518574,0.3325676499681074,-2.339297871120955,-0.4589900058087144,10.823853773387327,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,7.978475832030731,8.722288491305425,9.455210776632272,10.172654608242242,10.869580132722398,11.54140484468786,12.184484237347649,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_69,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1011258881684339,0.6249738398020197,1.846950632883097,3.66751466987861,5.420033884599971,6.580947931152021,7.1905535835599865,7.475277588700365,7.582034738063991,3.019955862025363,0.4579970488522989,0.0051792901912815,10.52962995118471,3.986779460967776,6.410970773659556,0.9884953868852732,5.570275618629882,12.40065371185619,0.5240257111513147,2.67601081704898,0.4923199339461037,18.71026862040938,3.6632475041571326,8.37499800024279,0.3096766995300289,-2.6132142117567434,-0.4672012918292095,9.822325129096768,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,7.6186906358399105,8.352750757975658,9.079591081536275,9.793586242010704,10.48897461069531,11.16062642862846,11.804465729280208,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_70,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1095225669733898,0.6519489985004847,1.8764212391629,3.739350238034084,5.577285206687834,6.798216843091888,7.437811828607471,7.735988849993614,7.847688671134635,3.068434900164225,0.4809661245012147,0.0059878900664933,10.766689378887955,4.21677109774156,6.489950757430403,1.0045531044814089,4.980001190052131,11.078846866205394,0.4356452711796849,1.8804134064724425,0.4587973226162299,15.89328963975796,3.830066560044471,8.684764331012255,0.3390311938811585,-1.5917867720451175,-0.3433466688453002,10.585593375680288,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,9.944825023290106,10.679955318485758,11.396664057456864,12.093582624487471,12.768095175037722,13.417330343635635,14.038760327935744,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_71,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0719271322008971,0.5313485408551547,1.6951345973708971,3.5511143616647534,5.41285223876695,6.662309437773104,7.320499754068556,7.628152812813549,7.743530613947217,2.878045162227891,0.3795811455497286,0.0026023399506127,9.98384754496383,3.6590989318918594,6.058883222973642,0.8373766739632169,5.697702664866314,12.69663137104676,0.5280035070127593,2.4788522092064595,0.4898882767238784,18.66388317941289,3.9857711499399775,9.095136501434895,0.3476292590768792,-2.427338821386193,-0.4692829215957718,11.191346322876358,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0814,10.060173408664006,11.014211532378646,11.935756150230032,12.81374580949502,13.640922836337255,14.413439689481752,15.130146959175375,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_72,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0774676237664799,0.4042535339829045,1.308932781878516,2.86288276137125,4.378005542371081,5.36466940339812,5.876485703175415,6.114086589313364,6.202942457265344,2.301049044275602,0.2987668009888251,0.0059651555884108,7.153453056186001,2.2697087049226004,4.49706910890711,0.3573025884011431,6.138793708685313,13.357302674335962,0.7045905527380388,8.329852552417574,0.9733262397419684,26.49456362002938,-1.6163576373344943,-3.1179474881412568,-0.2738823554665324,-8.329852552417574,-0.9733262397419684,-7.75198816713062,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,13.298867336339685,14.091246098938123,14.795352854234144,15.424327467835663,15.989163459509603,16.498923369899014,16.96103161947091,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_73,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681880107656642,0.4040385316580467,1.3716586758627585,3.061044663266814,4.7911222422850255,5.961902981155282,6.581341496189221,6.871485282913736,6.980393573808116,2.4415826573663324,0.2922186231034642,0.0044737106150249,8.1836663909032,2.400087387238082,5.136367042525023,0.4538281977479408,6.653107190843647,14.83475381766123,0.5811137213953237,2.713298298068189,0.7799016942925359,22.798035082543745,4.6195860555750405,10.688019359013568,0.4924761115969322,-2.713298298068189,-0.7799016942925359,19.69571873960004,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,10.358224069989255,11.123029459819591,11.82529940557073,12.469084627871869,13.05883752004432,13.59899563102814,14.093790461510014,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_74,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.071655877373668,0.3940670103725655,1.3096756336171158,2.912333386972489,4.495952398572425,5.5342398510090645,6.074430923515591,6.325517540849122,6.419463894490859,2.329710793563578,0.2888509030157105,0.0050765847928586,7.412837722027551,2.393864263654318,4.590103657016152,0.349551053162014,6.210466416972645,13.516869901613376,0.7103322787669955,8.35234786133207,0.982330850971576,26.73701037719807,-1.5631968856409368,-2.994876306450701,-0.267735180544928,-8.35234786133207,-0.982330850971576,-7.495350698719253,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,13.162817961222574,13.984656135022924,14.717236622185611,15.373231526246007,15.963201388399831,16.495877284970906,16.97847962744512,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_75,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0765782960902628,0.4025526044220686,1.3147333610620084,2.884889145826483,4.412788887673088,5.4061980724832654,5.921103384085802,6.160053307168044,6.249400578981767,2.31748823456421,0.2969847236496135,0.0058308395105654,7.178498700549663,2.322772467147207,4.502988745218706,0.3736198198958005,6.149033637704621,13.388221341733928,0.7026566256243184,8.213641169279782,0.9672856034381414,26.410506517793227,-1.4809364538416785,-2.819071362578794,-0.2580759414468952,-8.213641169279782,-0.9672856034381414,-7.215133329699248,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,13.349213432283248,14.139174378661044,14.840594016722036,15.46672262400218,16.028628010336387,16.53542214626011,16.994562741060957,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_76,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0706215513785389,0.3942662231188638,1.3188390391313547,2.9359723839452694,4.57522991102814,5.672665374545078,6.249665570719284,6.519119851184918,6.620132895113663,2.344205885564351,0.2876695010315946,0.0049501157457595,7.760641237805425,2.3314152554600214,4.788233030260171,0.4265895376222545,6.926361791083509,15.296419954341316,0.6947442448487638,5.676082256798401,0.9149068374417674,26.33427438573212,2.009444668577716,4.935352208274321,0.1562849417856385,-5.676082256798401,-0.9149068374417674,7.488198778522732,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,12.085330215011568,12.788295686911834,13.429897438113224,14.015477840459164,14.550422656798096,15.03974260591086,15.487935326634783,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_77,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0698363031032839,0.4076758990923407,1.3803183343563628,3.0718109302593897,4.799258405400977,5.967486704948537,6.5855405444954735,6.875043998099431,6.983714225788036,2.452418003437076,0.2953025503585789,0.0047123497191602,8.188261293481256,2.421681426356538,5.1298591493663,0.4599745745902707,6.734336906626646,15.018697583497136,0.5876580850808751,2.7119389133020344,0.7867098192936156,23.039720649230333,4.715470352961097,10.905083647394038,0.5027997491655766,-2.7119389133020344,-0.7867098192936156,20.069678892194887,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,9.858513432748454,10.600184679030496,11.28137202210872,11.906212993332376,12.479157864007496,13.00456875573678,13.486549411599364,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_78,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0793090215528611,0.4142698868347013,1.3798532387288718,3.0877435740902808,4.8217299581733135,5.98387991140518,6.595519245153273,6.881316022875073,6.988484195526198,2.462160702297396,0.3045935658135668,0.0062816067248253,8.36379832766908,2.4746194334668563,5.178331681640763,0.4428572882428385,6.482244090566246,14.417059640024904,0.5729766683240571,3.0855977515261275,0.7947449708277199,22.685035210966525,3.992109246826508,9.298173140531205,0.4245807923800147,-3.0855977515261275,-0.7947449708277199,17.491179552925043,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,9.726280637802928,10.36951226231219,10.952613434613028,11.4830716913394,11.967558055050985,12.4117573698121,12.82040584712076,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_79,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0611603670091379,0.3540298894843542,1.1546882985899618,2.5225900212216,3.880708928086719,4.777124400991816,5.245207725020147,5.463143605552584,5.544743530870803,2.0254578945236474,0.2586279872497951,0.0037580282681664,6.064399615085736,1.7623235910977877,3.911641004082214,0.2318736930472377,6.159082829902684,13.425851132778714,0.6956299173293485,7.947097786807979,0.9574951437636372,26.1921656842806,-1.2017383288827246,-2.201809416007493,-0.2235018696131617,-7.947097786807979,-0.9574951437636372,-5.977446858707256,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,13.9734975951209,14.844777644952355,15.61513010398086,16.299494435276515,16.909940325711784,17.456338968420102,17.94687403629038,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_80,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0576909961926748,0.3628458784442927,1.3046670307005988,2.975069646521579,4.638217324289833,5.737290444406728,6.31180621854577,6.579455260433528,6.67969570707034,2.366719205539769,0.2593230592725809,0.0033079025906197,7.657132707220089,2.372048419736967,4.639068112803729,0.4121802356735188,7.021434717597726,15.5763709346724,0.6676541703189272,4.503611500660148,0.8734518024559502,25.528948381736424,3.293577042981581,7.77809278797332,0.3147279021171973,-4.503611500660148,-0.8734518024559502,13.176528994675875,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,14.44740202543908,15.275933041025716,16.021904262323332,16.694433041979753,17.30138985430975,17.849676918008324,18.34541439455053,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_81,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0797642687182155,0.4144404629707299,1.3797930265979572,3.087918282476432,4.823362757880618,5.987879468029151,6.601223416782889,6.887920534237485,6.9954428809655615,2.4622525937147324,0.3049760785463831,0.0063582963246858,8.326476769348183,2.4695524285496644,5.161940047052593,0.4494336246516752,6.385244164101108,14.207794196480128,0.5579270490682334,2.8707823138961963,0.7799435379208387,22.203181712153032,4.0857210295092905,9.49976740706826,0.439307731275614,-2.8707823138961963,-0.7799435379208387,18.05150558941135,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,9.920776059022176,10.54780304667539,11.115419973336556,11.631535397721766,12.102989564248528,12.535497004537056,12.933748076271511,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_82,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0574673514451451,0.3588652673669689,1.2882518061690131,2.951689192949195,4.615843989934331,5.717132093912607,6.293035198679765,6.56136507501073,6.661865040164844,2.344423409604085,0.2569327849699758,0.0032954200461373,7.635051934395296,2.309817562705805,4.659238374509359,0.3938008808644315,6.887937475336853,15.268857425215309,0.6545643476359659,4.5120090680633895,0.8696036543268617,25.162022240869067,3.103394209387212,7.352754531018087,0.2969910509091831,-4.5120090680633895,-0.8696036543268617,12.64695685543166,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,14.539531686645091,15.360275007770325,16.099666300499756,16.766431720237133,17.36821878814809,17.911801880592314,18.40322524794921,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_83,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0715415320701091,0.3968327552569891,1.3265934635621102,2.9422489806937087,4.572730422712159,5.66412004277107,6.238305980052367,6.506561280263625,6.607145321398897,2.3524624966678105,0.2897344697685391,0.0050789874827921,7.753669100767093,2.316090003521518,4.807877863323854,0.4329844275872073,6.962062427126818,15.390247458864213,0.6883052958315948,5.400360274766729,0.909940231450677,26.19601100308718,2.314877254077542,5.6138925528667984,0.1952127690450109,-5.400360274766729,-0.909940231450677,8.937772565556749,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,13.57128003221018,14.288037622915944,14.939951630183796,15.533514209271848,16.074858004263564,16.56948563568218,17.022221325230873,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_84,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0633975161946742,0.3653364441760622,1.1928637441997978,2.626454496155333,4.060918777340605,5.0099078926630645,5.505720850782672,5.736599434483335,5.823048650883964,2.1034601739511967,0.2671236665059349,0.0039845599766124,6.304786108481258,1.9746387274028976,3.8845777660009966,0.2349980312140349,5.9457713889229895,12.946612575628134,0.6733363287361671,7.829167920832732,0.9386855500368152,25.45921726270232,-1.3476978853247727,-2.53600487819085,-0.2354245664887179,-7.829167920832732,-0.9386855500368152,-6.347414070168657,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,14.092539144710337,14.992323028689183,15.78850280482753,16.495965627523898,17.127054521580153,17.692002660138424,18.19933751146593,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_85,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0657243710100506,0.3619513509852757,1.169129670678587,2.5834270956970897,4.006872970055254,4.950385329643104,5.443624205477859,5.673348172143084,5.759370839202709,2.0660181918234617,0.2665358351870043,0.0043505968928263,6.2014197348577245,1.886181136845853,3.8287077236223936,0.2108275685447578,5.911275337545088,12.86173894295489,0.6729270147095558,7.9302587878451805,0.9411941137564686,25.45597437436051,-1.4954574616136214,-2.863780551537603,-0.2523729312875115,-7.9302587878451805,-0.9411941137564686,-6.929523735536855,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,14.394611426729185,15.26078602244765,16.02316753482366,16.698666581713326,17.300637110080398,17.839707485173726,18.324438531868488,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_86,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0731103068719805,0.3992989990874978,1.313356048900129,2.9027359262990298,4.473717913962831,5.504854690035578,6.041662998926109,6.291249304803485,6.384645488084131,2.3251531142389625,0.2931378777090564,0.0052668763524404,7.367144016655366,2.371866238392,4.570658085943614,0.3557944132804978,6.112387793622752,13.296133055141436,0.6990832332327059,8.284497426861465,0.9750415158345414,26.39313605960456,-1.6229077383051524,-3.131394369514587,-0.2715137041548393,-8.284497426861465,-0.9750415158345414,-7.577756748959524,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,12.669190896009642,13.477822397732211,14.20024180828925,14.84835864432178,15.432240780617306,15.96028409932424,16.439463360536372,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
RSM0814_87,RSM0814.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.063017352223699,0.3573444018151503,1.158701827186814,2.5270319892419435,3.880940775689945,4.772272687108919,5.237083279793879,5.453364048481091,5.534323750588293,2.0302478659783656,0.2618715509186115,0.0039972353549304,6.099228658987295,1.764064049446927,3.9337029049941967,0.2294234720060417,6.207817281984824,13.530149589103685,0.7021125548255682,8.043978766944427,0.9666374178126425,26.431310810169343,-1.2455974053258352,-2.295069418267764,-0.2295201856199502,-8.043978766944427,-0.9666374178126425,-6.1758351054238005,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0814,14.030582862344051,14.896073008377424,15.660290094768214,16.338848239756118,16.944204134356358,17.486411098421307,17.97369891942142,[Cu].[O-]C(=O)C1=CC=N[N]1.[O-]C(=O)C1=C[CH]N=N1.[O-]C(=O)C1=NN=C[CH]1.[O-]C(=O)[C]1C=CN=N1pcu.cat0,"linker [O-]C(=O)C1=CC=N[N]1, [O-]C(=O)C1=C[CH]N=N1, [O-]C(=O)C1=NN=C[CH]1, [O-]C(=O)[C]1C=CN=N1, nodes [Cu], topology pcu"
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RSM0860_80,RSM0860.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.050169069407203,0.3680082862247994,1.5337128117453582,3.8325368159261446,6.213546656445299,7.802503783151574,8.63470175995617,9.02252443672664,9.167778891052384,2.9779006396958327,0.2542084028427945,0.0024514259144787,13.589087343961143,4.501478292460738,7.943356854139544,0.7023452512952085,7.151168302011944,15.60979710937266,0.7996507161457446,6.329905285715894,0.9471962564114929,29.09263959117171,2.8436345763200666,6.515142755564336,0.3108829370022564,-6.329905285715894,-0.9471962564114929,11.985767321149622,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0860,14.224887464952364,15.22962067793426,16.110004481725067,16.883641754359335,17.565651341559118,18.16884090298389,18.70401846920932,[Fe].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe], topology "
RSM0860_81,RSM0860.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2362346598913162,0.8133462988078874,2.063163793275529,4.040953627404837,5.960755037063589,7.213005046740194,7.862895378422181,8.164613102583303,8.277446142982503,3.329517593703059,0.6433791691079238,0.0432624444596373,12.456708145853057,5.259879960518502,7.128158010049597,1.1451363555056069,6.632906366506469,14.305385647315042,0.7991410236007782,9.535153804556325,1.0974526065552892,29.9421803702957,-1.799379173151496,-3.605675028673661,-0.2620824465613368,-9.535153804556325,-1.0974526065552892,-7.20064108537833,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0860,17.66569400857883,18.133062418714207,18.56089423457658,18.955328727146323,19.319706475554568,19.65616821492185,19.966417457299723,[Fe].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe], topology "
RSM0860_82,RSM0860.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.070104656551993,0.3824617694992844,1.360925527344523,3.320864323410493,5.404890824987816,6.809293786693273,7.547080205854671,7.891258584530735,8.020213879397673,2.5838068005367467,0.2795971798411542,0.0049516782844487,10.333956823756754,3.048609398043312,6.413678038922642,0.474759647598281,6.671162984968763,14.413161256880858,0.790350075954437,8.94396482533144,1.0739728000014162,29.61735452428429,-1.0634723841294724,-1.9997281121696333,-0.167273342527849,-8.94396482533144,-1.0739728000014162,-3.899465122595722,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0860,15.285939290670443,16.022411407323972,16.68236799782598,17.276002648822192,17.81189493592199,18.297210186607817,18.73793916838277,[Fe].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe], topology "
RSM0860_83,RSM0860.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0597320211545435,0.4316017691554766,1.7221048441097926,4.112733144575782,6.488953934499246,8.039425772130535,8.84297293945233,9.21571949675417,9.355063338726335,3.238460877713031,0.2988949589856596,0.0032845230008686,14.291287402660457,5.423814502569999,7.967686755750015,0.8802370866871774,6.685270951222842,14.569525672459932,0.7454985302660257,6.193127005465841,0.9191069714339896,27.46684812114325,2.2539890012335992,5.218817458739971,0.2477525755624676,-6.193127005465841,-0.9191069714339896,10.045739706518717,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0860,14.474225922399244,15.34804103147573,16.131361524415265,16.834316850201112,17.46578952313745,18.033633794709363,18.544827180406745,[Fe].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe], topology "
RSM0860_84,RSM0860.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0489637409297672,0.3664668309797252,1.5335605099948375,3.845957406928018,6.241734538169226,7.837530991614712,8.67215015086131,9.060824485889205,9.20635282804323,2.98551587686014,0.2525847378438906,0.002319308158359,13.745727063033048,4.5397591352743385,8.034266400381231,0.6795830953500601,7.408643614062377,16.16775635635141,0.8332074808410646,6.719772189346679,0.9849859251681782,30.25441997359414,2.774553531014226,6.3742214305299365,0.2982588686118912,-6.719772189346679,-0.9849859251681782,11.53121854557308,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0860,13.657903194266096,14.70661803376021,15.6305630826768,16.445639310278473,17.166106988834514,17.804440131566967,18.37142361184618,[Fe].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe], topology "
RSM0860_85,RSM0860.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2302223380030626,0.8129421005451757,2.08616344479151,4.090829558609094,6.032063094669736,7.297602031573815,7.954317732503545,8.259198129556097,8.373213544009737,3.370666150199252,0.6400978341455875,0.0407187071733697,12.690242202691952,5.380040252773283,7.271806823006887,1.1799073288046455,6.890572895004102,14.877540490857472,0.8308265416875229,9.693122230445375,1.116706443964408,30.90449863065844,-1.568024128460998,-3.095309983514701,-0.2394322342938447,-9.693122230445375,-1.116706443964408,-6.554558528689423,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0860,17.27148149729451,17.786122344518787,18.25147741350344,18.67638525616245,19.066034703317644,19.42384097025856,19.75239859580778,[Fe].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe], topology "
RSM0860_86,RSM0860.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0722138111331221,0.3726763897751905,1.3241634121138448,3.2696081476037944,5.34825321273738,6.7518586695319645,7.490040306676853,7.834589571104749,7.963714044328642,2.536139457502013,0.274931211512005,0.0053421174521081,10.110934016605666,2.889823700998579,6.292313915740938,0.4276009472170226,6.053337837502656,13.05689621389396,0.7183239052877716,8.43735589700195,1.0041542101038166,27.162775480310625,-1.3974672766986702,-2.7504542129177785,-0.2010049540873288,-8.43735589700195,-1.0041542101038166,-5.013734597817893,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0860,14.978121919212915,15.708474752311002,16.365260369523497,16.95832990837927,17.495868726370244,17.98467021904372,18.43039104924886,[Fe].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe], topology "
RSM0860_87,RSM0860.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0604924753618184,0.4347609700042997,1.7227095972771893,4.125304606864058,6.51820588998188,8.079575936980207,8.888619145359325,9.263871301534085,9.40414425177784,3.245503122998715,0.3022196903723678,0.0032683807140131,14.258916450352256,5.435711639587892,7.960759674140597,0.8731967222032876,7.102601297210435,15.495639493676324,0.7918591734112643,6.346778010608785,0.953216004581247,28.9677480178444,2.715286405101238,6.237673074725339,0.2990172379566994,-6.346778010608785,-0.953216004581247,11.718280276934625,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0860,14.595749699281638,15.467875850434613,16.247133914357565,16.94471714535416,17.57018460748398,18.1318169432284,18.63685520269795,[Fe].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe], topology "
RSM0860_88,RSM0860.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0499927603317831,0.3746237224319672,1.5111239279605369,3.725551320451242,6.026294266176746,7.56274056775008,8.367226149898483,8.742040568237572,8.882405039855255,2.9013585558132187,0.2592122791280167,0.0023764362586366,13.06476623404104,4.262233413899759,7.709808604685403,0.683454221328103,7.094244534082383,15.460902579407948,0.8036114449067367,6.848754312787098,0.9698938308336325,29.31025487298191,2.1472071620626343,4.996385626365159,0.2232165213315986,-6.848754312787098,-0.9698938308336325,8.996432547852075,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0860,13.875471702007152,14.89266405599725,15.78971617338668,16.582006225608207,17.283244717343113,17.905380263801874,18.458722660385185,[Fe].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe], topology "
RSM0860_89,RSM0860.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2291840470680241,0.8171868956313406,2.1219293053606942,4.188378458473181,6.185809496950872,7.485062287328606,8.158432164273256,8.470861958262041,8.587671913761756,3.446089078301372,0.6418475789409427,0.0402459687141848,13.173132576900308,5.674059017587646,7.533927484388352,1.2788864926089918,6.789909256690949,14.654292031260065,0.8086880912240977,9.41073055358078,1.11294979059795,30.39691542231356,-1.4609629649791704,-2.8578996778694594,-0.2165829477005667,-9.41073055358078,-1.11294979059795,-5.48757094004969,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0860,16.56287133968863,17.14358500063584,17.668923628602897,18.14763561431312,18.58528266593835,18.9858366461676,19.35249911988665,[Fe].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe], topology "
RSM0076_0,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.003410631970701,0.2195535402111822,1.5942483474264797,4.300863527854298,6.9967258479555925,8.764789070662474,9.684828767300187,10.112526937713838,10.272563885077764,3.310610669317636,0.1139450322676524,2.38082125168104e-06,16.12795278942772,5.631100204013867,9.086849276010067,0.6903668718302752,19.021030357762434,42.88951768705648,2.0314512773601927,6.832322693601279,1.360104520396158,61.49905187512458,-19.021030357762434,-42.88951768705648,-2.0314512773601927,5.05467931978114,1.360104520396158,-61.49905187512458,0.0,0.0,0.0,7.0,1.56,0.0,-26.0,-57.925255,-3.0,-8.0,0.0,-95.0,RSM0076,19.495231067863536,19.858927350122823,20.14754286779455,20.379992054180608,20.569706923496145,20.72639965327276,20.857212230037973,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_1,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0040752000433911,0.2321275457521786,1.6088556181218616,4.31123930950112,7.018525136856384,8.79862856883187,9.72564653207256,10.15668961748976,10.317990539742686,3.320369230467948,0.1229099949887968,3.3811003955675726e-06,16.1510020184634,5.72993332901596,9.0891445262097,0.7146288127879272,18.80172934392669,42.41740387646319,2.0009030697972974,6.7963109251429055,1.3935697405706022,60.440791732214194,-18.80172934392669,-42.41740387646319,-2.0009030697972974,5.472472082598037,1.3935697405706022,-60.440791732214194,0.0,0.0,0.0,7.0,1.56,0.0,-26.0,-57.925255,-3.0,-8.0,0.0,-95.0,RSM0076,19.2672644184012,19.667154126624823,19.98407121448354,20.23903312827253,20.446933463500805,20.618519097958263,20.761678169865945,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_2,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.198640347841005,0.7327375411986631,1.814492154567108,3.542474327675197,5.309275513910154,6.504574305042154,7.136197332384449,7.431803685451968,7.542718954466971,2.9106301004559496,0.5781467164060665,0.0315842249014767,10.370113784508227,4.077805815423424,6.384902988981783,1.3792284047896934,5.221854906200622,11.237009803748135,0.7576254935530436,10.6951935229354,0.8244724544960375,27.13439049331336,5.221854906200622,11.237009803748135,0.7576254935530436,10.6951935229354,0.8155175542036252,27.13439049331336,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0076,2.6252404077958773,3.264353183050241,3.936670061016207,4.622979748623716,5.308606521533268,5.9832012368312855,6.640027861682938,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_3,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1998114612628745,0.7716237596716188,1.894527718649568,3.669281552333302,5.498731512115151,6.742842219101655,7.401682851973208,7.710298566005952,7.826135349129839,3.018837915191847,0.6070737606038444,0.0281405410754282,10.944040338133789,4.494542786213902,6.769225004712967,1.591565346488948,5.4219979726651735,11.701599591223268,0.7913141048330975,10.732017368789204,0.7924019223622367,28.64645941875552,5.4219979726651735,11.701599591223268,0.7913141048330975,10.732017368789204,0.7768515460949491,28.64645941875552,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0076,2.391418989808312,2.9794284540882443,3.610101781094382,4.267046852645614,4.93686777336186,5.609300804581634,6.276833593609664,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_4,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1452894864175755,0.5205856888767578,1.721274700263962,4.210349662239285,6.829756551415425,8.580527066530392,9.496865127024956,9.92366691753604,10.083478055627763,3.276170647269116,0.4031555673426765,0.0213922373348146,15.843470204729892,5.11331113920209,9.691479793985255,0.9747596858662416,4.330125935686756,9.42403770016904,0.726583174249466,9.591040759408616,0.4906674240011788,29.40724629412665,4.330125935686756,9.42403770016904,0.726583174249466,9.591040759408616,0.4822597962636722,29.40724629412665,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0076,3.1434892172206945,3.785464398074548,4.4550300906313405,5.134339589473461,5.809067920363795,6.468611631864531,7.1057517426552135,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_5,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434999699126402,0.4987630189805322,1.4853976855800657,3.514179583849998,5.723589293027565,7.232155810327898,8.029480232300605,8.402414974363182,8.542295055780707,2.744125739308043,0.3924074049399051,0.0209124157660077,12.590685108743118,3.3397249732229666,8.092387956557898,0.4033946101834974,4.111071961899847,8.955583485679433,0.7339086123941307,9.982340861052894,0.4533483748064366,30.81824305808992,4.111071961899847,8.955583485679433,0.7339086123941307,9.982340861052894,0.4533483748064366,30.81824305808992,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0076,3.225986554055707,3.897407041926196,4.591126150092969,5.289285936966654,5.978000264838796,6.647322670974583,7.290757028915265,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_6,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407241269131202,0.4900198335217198,1.4262541781009614,3.297277913894966,5.358506717692555,6.78783135301736,7.549956950206631,7.907907213651635,8.04240139411302,2.5869937877862057,0.3859126251016998,0.0201507576072943,11.41639413846406,3.0387361718419648,7.237115475214642,0.285367730455711,4.144681588896482,9.014639241732487,0.7261748333350689,9.954080255577033,0.4828054945556794,30.10883038897243,4.144681588896482,9.014639241732487,0.7261748333350689,9.954080255577033,0.4828054945556794,30.10883038897243,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0076,3.0219621478935403,3.692530394957662,4.388582012137027,5.091477659383537,5.786660463412016,6.463649986330197,7.115545788004111,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_7,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1436387962983275,0.5088698750002167,1.6409139451976469,4.047136869769048,6.632882217471755,8.37047148310526,9.28026124829704,9.70387759255458,9.862460652180712,3.1351308673127347,0.3963516750921688,0.0209521217140482,14.9660889503692,4.667507342891906,9.179719983394728,0.8136235788518839,4.365884661766907,9.4880761319234,0.7070452750405214,9.289099067426651,0.5189193469998817,27.925584442096408,4.365884661766907,9.4880761319234,0.7070452750405214,9.289099067426651,0.5077475710811856,27.925584442096408,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0076,3.1119374920632663,3.7565968162105503,4.427670199700691,5.10781773907872,5.7830857989415465,6.443128721822053,7.080897874775493,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_8,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1982392761674776,0.7551154407369712,1.8607009230914928,3.6093689980692254,5.406199210300113,6.626494294339024,7.272365828611715,7.574831896362964,7.688348652350387,2.9693354115728474,0.5944050067408543,0.029251461703657,10.639994831679967,4.296193791342406,6.5484408010935695,1.5311655255042236,5.145340238407676,11.07281597233217,0.7505980413335637,10.623806132193828,0.8118160022228114,27.0031325716262,5.145340238407676,11.07281597233217,0.7505980413335637,10.623806132193828,0.8037959117560326,27.0031325716262,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0076,2.2497290676568014,2.8246703279793635,3.446195307305461,4.096560908684712,4.761027803397328,5.428240953843249,6.089939339937936,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_9,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2062964303424079,0.7722645056858454,1.8993766611401868,3.704588918901647,5.573480065157298,6.845668781252744,7.519514648175365,7.83517194815737,7.953652727773879,3.0414341029915763,0.6091405700141028,0.0314935977438539,11.180006754104005,4.562197794072733,6.902879863335601,1.5883974798047804,5.422316618990708,11.70877804324748,0.7931263554921831,10.680932297814463,0.7803196264324356,28.795260062754163,5.422316618990708,11.70877804324748,0.7931263554921831,10.680932297814463,0.7637650334402266,28.795260062754163,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0076,2.669852642775095,3.315558755808909,3.990819556731572,4.677860367913787,5.363353226387822,6.038020260359037,6.695869485604285,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_10,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1440753664618765,0.5171257182116542,1.699346783855184,4.16909597975006,6.7862568762636215,8.54032874091811,9.459261819039789,9.887418356718678,10.047757064388977,3.239357078738636,0.4008384557328291,0.0210391511673029,15.650625291021884,4.991387829269401,9.609691179577228,0.9470985322059464,4.234511095884621,9.207676146396697,0.7127333188864242,9.545243318945952,0.4955984029668699,28.85846767406591,4.234511095884621,9.207676146396697,0.7127333188864242,9.545243318945952,0.4896382608254592,28.85846767406591,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0076,3.0574102081462344,3.691660322348287,4.355901183853522,5.032078320978799,5.705551588070809,6.365380799949246,7.004033850115254,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_11,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418174034400301,0.497859228097705,1.5137411035965578,3.597874262370521,5.843346314303173,7.36750209040836,8.17098369804214,8.546386799589476,8.687130452809917,2.809881257456742,0.3904497963875005,0.0204330921103288,12.95345819046643,3.508095630662712,8.303854376197583,0.4526134214626424,4.002542102981401,8.724340172279911,0.7195568706403938,9.75899706810455,0.4319621033759849,30.35627042992056,4.002542102981401,8.724340172279911,0.7195568706403938,9.75899706810455,0.4319621033759849,30.35627042992056,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0076,3.137922601190342,3.8027913683105,4.492182279596931,5.187995377128329,5.876053290390509,6.546124597081242,7.191459887365024,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_12,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405399758515415,0.4899679460673511,1.429844268561445,3.320963798679609,5.405398498761584,6.848378779799816,7.616860501431859,7.977577150785497,8.113075178583511,2.6023136611547386,0.3857974657907636,0.0200962369725435,11.524707497077252,3.070334871130054,7.323391118308457,0.2985262325952691,4.087031956647983,8.891805512474958,0.7185510613224447,9.83544044722754,0.4714459807287683,29.86341450933121,4.087031956647983,8.891805512474958,0.7185510613224447,9.83544044722754,0.4714459807287683,29.86341450933121,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0076,2.982140453184473,3.6520064778034698,4.348356867277307,5.052280690629628,5.748978943447707,6.427776902888174,7.081628825089958,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_13,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1439943406211432,0.5070547346597881,1.6311108779975367,4.022363619429156,6.595654949484466,8.326995024195913,9.234119793975198,9.656627369550767,9.814816176162555,3.1157007450921625,0.3954676663350194,0.0210711092432846,14.836755475817204,4.593709854931102,9.070437352432592,0.7506043360901294,4.175990788748667,9.06104615756106,0.6827489987172517,9.232833253101695,0.5239004312485345,27.057172225530355,4.175990788748667,9.06104615756106,0.6827489987172517,9.232833253101695,0.5177267241950491,27.057172225530355,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0076,3.138088857419059,3.788911780231948,4.465357494007853,5.149933065372963,5.828639279388005,6.491157241966634,7.130508078509454,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_14,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1537528274001315,0.795522557932819,2.0785242624240854,4.154619357583872,6.295327759329472,7.74139500280847,8.503917068124224,8.860362364515437,8.994034216975066,3.3912044398195413,0.6080683305563894,0.0092887051605954,13.09608201900154,5.8216114474543765,7.570607465707207,1.5262740073527794,2.065324997970107,4.316097770877658,0.1911881176477193,3.594829939151861,0.5605919035072239,14.150387342804922,0.1534438214929136,0.1089038242184171,-0.1911881176477193,-1.3760611196888408,0.4267602211538205,-14.150387342804922,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,6.43354586425895,7.221887417082164,8.01061519943149,8.791603813766411,9.558090834452823,10.304480098328163,11.0262880744548,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_15,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1041517997026692,0.7418114155117385,2.2593247985510816,4.444600268534765,6.49653284205562,7.840342054984602,8.542368933051614,8.869515332355201,8.992063538753575,3.6758537922390873,0.5342538393181248,0.0038216066542653,14.413517642816656,6.46362223892969,8.609418202477611,1.845519965268437,1.1943592720208485,2.610041413303258,0.2212112386383054,2.964049181127292,0.1167188036024547,10.396021132870352,-1.0177531143622065,-2.2578269227767453,-0.2212112386383054,-2.78744302346865,-0.0381290634443589,-10.396021132870352,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,7.569515927402756,8.288662219594581,9.004103647554098,9.713105900234488,10.411629064830771,11.095231599130663,11.759717783039616,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_16,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2254247530786062,0.9306283682180908,2.2630994178995447,4.410727606215044,6.665472716900791,8.20610945841725,9.022478387409013,9.404854048202631,9.548362490221235,3.6166799536483984,0.731341981532069,0.0248389897105899,14.650513771302732,6.515694575488056,8.791202373855674,1.851807365267812,1.922984419179554,4.204274427590943,0.3580667997402528,4.787518817101576,0.1843528170219275,16.776258090702825,-1.6576835782229733,-3.675171695429186,-0.3580667997402528,-4.522217976144995,-0.0662939427962491,-16.776258090702825,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,9.219851233439664,9.984343268805237,10.719528712307934,11.423873653216608,12.096337722340538,12.736289701746514,13.343483019312115,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_17,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2248485937269482,0.9359813887511316,2.26457666505578,4.260727337088828,6.276249466609386,7.643720515434186,8.368639990015,8.708501321843718,8.836120004975456,3.5376056348007285,0.734163046594426,0.0244442834710874,13.28768923526036,6.303264768764776,7.790785955660548,1.859620143987742,2.158420072125653,4.7410693974371085,0.4232978599560746,5.544802951774249,0.1668134446782754,19.25805755974976,-2.074558527435093,-4.573820125783491,-0.4232978599560746,-5.4609414070836895,-0.1294950572909765,-19.25805755974976,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,9.197854333674064,9.971094055878812,10.710450218557908,11.415949246956073,12.087693577179756,12.725861665172898,13.330761065227682,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_18,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1463806515456043,0.7787059076792503,2.0535477655673526,4.058443038581249,6.10356288147536,7.487476973389555,8.219039533388697,8.561489741420703,8.689993313380334,3.326570350612569,0.5923919629644114,0.0084221322338659,12.506300043740184,5.570060781690909,7.219128140248838,1.483602429001795,2.0950063320744783,4.38509686020188,0.2006973567949328,3.700585186433942,0.5559702737826437,14.488978796271052,0.0880327641251493,-0.031352838696152,-0.2006973567949328,-1.5175460902343136,0.4154821240261909,-14.488978796271052,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,6.417993578252998,7.228061058828416,8.043173892618295,8.852755115059418,9.64793093815825,10.421522594697189,11.16800328559956,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_19,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1007575506508835,0.7285914273332704,2.2370106351325174,4.418004436579471,6.458556690396523,7.789164291510471,8.482539271250527,8.80526354194401,8.926093224199315,3.651139057857427,0.5235864965100389,0.0035951211177038,14.345964994437438,6.391273247670064,8.52936856374392,1.8074049414853013,1.1653553095467557,2.5368624386670025,0.2063375496575491,2.816055706807149,0.1317002071404015,9.953527540884764,-0.898020187028736,-2.0037026370731894,-0.2063375496575491,-2.5487205842891294,-0.0127360776198827,-9.953527540884764,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,7.613878741796052,8.353946348416889,9.08948876713759,9.817125391650295,10.532296464130193,11.230239610548852,11.906633082316246,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_20,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2162226222863296,0.9153189982391516,2.255206409939852,4.256013670166698,6.23288669113492,7.558149285255354,8.25710036737904,8.584087137768616,8.706766220337478,3.536861329423388,0.7153116406249621,0.0231820405372632,12.980346236295162,6.356906006477774,7.498502271276494,1.8353203929510795,2.203314477010717,4.848508079014888,0.4406628954021434,5.728617640227864,0.15423201339075,19.829830293096453,-2.203314477010717,-4.848508079014888,-0.4406628954021434,-5.728617640227864,-0.15423201339075,-19.829830293096453,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,9.127041232803768,9.939320066784603,10.715474495193282,11.454854241052796,12.157058702840352,12.821978044644467,13.44983955038295,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_21,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2191364050661536,0.9129441136918112,2.245487276709448,4.371124299458008,6.550141440458688,8.019926836711106,8.794518263878718,9.156511487239582,9.292248752585715,3.592016026228651,0.7160309500354461,0.0240051263522237,13.998498105752043,6.483555400270804,8.228385527004342,1.8317926007176344,2.0285461857735383,4.442995768497674,0.3854130249951181,5.111850385734485,0.180053630803378,17.850991428770058,-1.8255840641776424,-4.038218261292899,-0.3854130249951181,-4.908888264138588,-0.0897354866932043,-17.850991428770058,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,9.086503004228422,9.891166284522264,10.663232226398684,11.40101212607455,12.103306528706224,12.76941624376134,13.399146437786316,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_22,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1569102374734358,0.8034908961613135,2.090895621653372,4.15966713584466,6.284653548312444,7.71848030634984,8.474316614408954,8.827604267407668,8.960087973807095,3.400387817538605,0.6149327479265838,0.0096949981763044,13.077913085412996,5.837362757015825,7.564216008527024,1.54583951027129,2.047133944828623,4.272463872427593,0.1840547517081599,3.5195719584939025,0.5658719459959373,13.916764758306307,0.2065864277470231,0.2222433526186449,-0.1840547517081599,-1.2658515859182564,0.4370336198002252,-13.916764758306307,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,6.440968011651799,7.222644009758968,8.002362237899405,8.77299243873872,9.528642494965135,10.264392707227875,10.976234822424274,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_23,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1040566260319712,0.7423549169455832,2.262141700033349,4.445715804343409,6.492292665685624,7.831371845995097,8.530636529070971,8.85643591705768,8.97847029117891,3.678165564215525,0.5344377995117264,0.0038175376566927,14.405271964756086,6.463911281187992,8.608855743938115,1.851722158681414,1.187247567103172,2.595911678454793,0.221263123541558,2.957352555435637,0.1134568107204901,10.361500306347022,-1.025383668312409,-2.273098411901433,-0.221263123541558,-2.795488656644873,-0.0414273757586003,-10.361500306347022,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,7.592139833073721,8.30996039220419,9.024625923848218,9.73317040101102,10.431389130775589,11.114734646525276,11.778949971247174,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_24,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2244142452572103,0.92938342050373,2.257316269432597,4.385341427054985,6.61667138447453,8.142010763859613,8.950625505182423,9.32945630463554,9.471648674342166,3.599335704801127,0.7301427054631546,0.0245082163488278,14.421239778759452,6.455537221052572,8.657206937266817,1.8471350652972216,1.9161429045540503,4.188891021540617,0.3563800737560708,4.767183494602617,0.1844709542339193,16.708315997891667,-1.6476578330066587,-3.653437819100076,-0.3563800737560708,-4.498698423055226,-0.0649950973953299,-16.708315997891667,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,9.229490637084696,9.99372554929819,10.728022273638295,11.431098197220695,12.102102755062509,12.74054016260312,13.346255584637737,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_25,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2231229615468666,0.9349309491799672,2.269680071875639,4.288372909429805,6.333317565912202,7.720755153167009,8.45590903448444,8.800463246741401,8.929825699697155,3.5556938438494345,0.7326259240179003,0.0239483868438546,13.520700919336774,6.347009938956848,7.945010172124245,1.861804374065701,2.181667497961908,4.792466206398298,0.4281797769546045,5.607105713598743,0.1680049548031653,19.47193302890163,-2.100130271584137,-4.629852438971791,-0.4281797769546045,-5.525568487220974,-0.1317208890650574,-19.47193302890163,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,9.185279730596354,9.95965436922502,10.700004462431323,11.406418059949605,12.079031766954376,12.718039263295251,13.323752898196185,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_26,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1552501094811094,0.7927952758271418,2.0547732629044377,4.030509741726302,6.040176956866332,7.399740106984995,8.118668312115856,8.455287312931528,8.58161787336696,3.310319323861149,0.6070604368099982,0.0096023134665372,12.238504294955789,5.525372547681506,7.034382633486804,1.487737376766963,2.043778954748581,4.264306096305941,0.1826321159863717,3.5048358826395543,0.5670464173886716,13.871537093470335,0.2174577948848642,0.2453914153255195,-0.1826321159863717,-1.2435991330061087,0.4392039361982115,-13.871537093470335,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,6.502855635509658,7.285721402552134,8.06683115217627,8.83903132195732,9.59636017359142,10.333808192736951,11.047276766867624,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_27,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0999253508836151,0.7272812410119353,2.241240775546133,4.424141978267366,6.457681623794165,7.780140015238633,8.468375377656251,8.78852384158247,8.908360868344888,3.65779983103528,0.5219227292019439,0.0035465567432575,14.358493122778906,6.407939077993783,8.519191888323553,1.8128680880023933,1.2045605686223697,2.6275423599028485,0.2184527694889724,2.9521827245341496,0.1264305102451311,10.391858232891298,-0.9799671262673548,-2.179624428142125,-0.2184527694889724,-2.7275892821791343,-0.0264864283971494,-10.391858232891298,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,7.634338466808458,8.370654069198743,9.104079565816535,9.830718711255798,10.545599368793802,11.24365657339885,11.92036063061416,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_28,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161185366208437,0.9146609782488032,2.2490694223352627,4.246494476191399,6.230839900356678,7.565508054991362,8.270482842544006,8.600502310577113,8.724351967065186,3.527181410555861,0.7149837022415603,0.0231372012181958,12.949444604468962,6.312630697250099,7.508478178806538,1.8275938179164344,2.1991039608434866,4.839242619242056,0.4398207921686972,5.717670298193065,0.1539372772590439,19.791935647591377,-2.1991039608434866,-4.839242619242056,-0.4398207921686972,-5.717670298193065,-0.1539372772590439,-19.791935647591377,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,9.130287386049789,9.944485202062872,10.721944319099585,11.462092219433604,12.164640804962284,12.829591956402997,13.457268993639612,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_29,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2192846972955747,0.9136612872677656,2.258460915275952,4.39264767806917,6.5568181147675455,8.00832886244469,8.771515170802473,9.127844780857648,9.261409193235169,3.613569208443184,0.7162201952210975,0.0241018634138507,14.030165501625843,6.573645575046005,8.178399700814778,1.8479140813300303,2.03528120560218,4.458752541005273,0.3876678874235615,5.136624304990671,0.1788228475737919,17.92976377648213,-1.841397668633436,-4.072080909051658,-0.3876678874235615,-4.942740768021928,-0.0925446736227007,-17.92976377648213,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0076,9.065498552351787,9.873124425333586,10.648169588192674,11.388823554499078,12.09380295921928,12.762355894636002,13.394260130099592,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_30,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3378139644743468,0.9700634136400996,2.1215715881207564,4.099176278774991,6.1257558636257325,7.479378277465953,8.189176626019442,8.520181353794989,8.644192833692244,3.3700887887760587,0.8063574852180918,0.058273736337004,11.94542120267898,6.016715620663881,6.698361731682672,1.6214393671752685,9.754414694131404,21.54763068095711,1.1727488004573583,10.820425117499116,1.2077477866732251,38.37709849529308,1.5315581362637345,3.954982154608923,0.0152483395842353,-10.820425117499116,-1.2077477866732251,-2.135417635266221,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0076,16.631036543501445,17.40474874017494,18.04745804349241,18.58704119555873,19.044750990894872,19.436881402288225,19.776022313882592,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_31,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0564026943444444,0.3914128180368235,1.6482601321883317,4.172230931881566,6.824727182066396,8.605620233736529,9.54015417127934,9.975941881261503,10.139196221015974,3.228224136984992,0.2708414200916308,0.0031495974605341,15.440132046101269,5.235452511148012,9.036537775186224,0.8670873921586095,8.199809191767441,18.101842835910485,0.9008667240621606,7.70212446448287,1.094396223980177,31.368272809109897,2.25645879936508,5.525908027055072,0.1997930644781049,-7.70212446448287,-1.094396223980177,6.830694723667939,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0076,14.250252213342996,15.13109396734315,15.91368236547543,16.610984902646685,17.233805441533143,17.791288906219656,18.29127274128952,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_32,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.099015190142348,0.5471993945968308,1.604771972199084,3.3523017822274883,5.134326810187022,6.340897341220806,6.979679033735625,7.278993061641046,7.391362341549357,2.713728339184859,0.4083979748943992,0.006135446318908,10.577942849813006,3.5139071092973566,6.673433782073581,0.673413698375642,4.323122941799021,9.1605174199364,0.5224946227093081,8.503079923473488,0.9441122915206112,21.615614708995103,-4.323122941799021,-9.1605174199364,-0.5224946227093081,-8.503079923473488,-0.9441122915206112,-14.959008880656466,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0076,14.552029113178028,15.26728499636455,15.914386149242825,16.50105958282115,17.03425344156705,17.520014689381664,17.96353704507661,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_33,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0547684185971201,0.393667305396051,1.663380472171131,4.156068837161301,6.74257358582183,8.470551093874453,9.375622238009612,9.797360687318076,9.95530658538129,3.229171796665545,0.2706964595803454,0.0029525968490739,15.181563526919923,5.196139358506302,8.852511549605703,0.8834741275725965,8.11519238008289,17.9104875827548,0.8915299628669402,7.664747277718401,1.0879439390232115,31.09760589378944,2.175594141395693,5.343329201557016,0.1917107236044897,-7.664747277718401,-1.0879439390232115,6.603932519603676,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0076,14.300782279317469,15.195464155102435,15.990059952648044,16.69707512346512,17.32726373949715,17.889944613964495,18.39323221336134,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_34,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0930522390195115,0.5292449276146413,1.5698324408883506,3.2611124360898853,4.950208706140755,6.079845059410997,6.674419924466577,6.95230606844892,7.056521009277338,2.647836591512438,0.3932681450659906,0.0054511769372372,9.995661127630664,3.331648951704248,6.345497793377398,0.63003686510631,4.989103052074525,10.605749383221134,0.6360090700539346,10.077175612506,1.0276338518220365,24.945515260372623,-4.989103052074525,-10.605749383221134,-0.6360090700539346,-10.077175612506,-1.0276338518220365,-19.5751196434028,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0076,14.64982915794431,15.389025741547714,16.054515234720867,16.655393721107384,17.199443400158,17.69326359182173,18.1424588143212,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_35,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3407513893522572,0.9738350490059908,2.1332668085623148,4.143984376419247,6.2098371152033724,7.58975770940008,8.313184346573257,8.650497279719822,8.776864033075427,3.4014615584120325,0.8100605423146152,0.0592280449660411,12.248105933134775,6.134776167975208,6.8942996364306826,1.647500815975826,9.814149819411115,21.68300839609961,1.1810558737600163,10.874431812772848,1.2106462308136527,38.585542851157584,1.5697883904209964,4.040974203563488,0.0172534114854691,-10.874431812772848,-1.2106462308136527,-2.147543328451567,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0076,16.763134547969845,17.52662374217613,18.15959883784102,18.689914675054503,19.13884409537791,19.52270690643167,19.85411164094252,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_36,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0587971799341679,0.4011823730806293,1.6674205634949453,4.180654175890932,6.817102967135065,8.588484499562925,9.518585700121337,9.952438580812988,10.11498945474589,3.2421089912911287,0.278199054070624,0.0034204948031195,15.40734900126337,5.27437640203082,9.022147889384284,0.8846480330320982,8.177358400600484,18.05699222207651,0.89711888544192,7.614086866667662,1.087433716208707,31.21151373116719,2.327229437392047,5.679945714547937,0.2086272027678201,-7.614086866667662,-1.087433716208707,7.114304837573702,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0076,14.294641503197882,15.154687987021898,15.919326430819266,16.60150388353326,17.211862004848733,17.759297609384227,18.251359248306347,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_37,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1042196909972208,0.563382348226483,1.629972404472456,3.3876035019831066,5.175911206132573,6.384354647071091,7.02343556495326,7.322739031296342,7.435080621240071,2.7457311341212653,0.4223582642837976,0.0065367402965612,10.658508753898,3.5859220611164253,6.726678164678985,0.7079588394025432,4.398322941950978,9.320227463666876,0.5319367458966855,8.653816909124464,0.9598723106118996,21.99161470975489,-4.398322941950978,-9.320227463666876,-0.5319367458966855,-8.653816909124464,-0.9598723106118996,-15.2439575030131,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0076,14.557926796891577,15.259118942610232,15.89533172825831,16.473586825601163,17.000299044335588,17.481111016419945,17.920907579486947,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_38,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0608673566608318,0.4013054210795011,1.6380289452322616,4.075438381905579,6.613723633711425,8.312229993861246,9.20248954893042,9.61745169420813,9.77287898462923,3.167659567811743,0.2802601445485481,0.0036657285001488,14.73246164810375,4.950899063692858,8.641760088323986,0.8265571316397995,8.097411352169257,17.85661605950739,0.892489135924214,7.8369642170736284,1.098711889724241,31.23660648273462,1.945934664066277,4.838065991814873,0.1647051815742635,-7.8369642170736284,-1.098711889724241,5.764168080486349,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0076,14.519972248480723,15.340548317307483,16.072484163244514,16.727394882419944,17.314976762791385,17.84339865789231,18.31961492920318,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0076_39,RSM0076.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0895837196204989,0.5119701515376084,1.5529580839439672,3.253254532178937,4.940541903001144,6.062579136692806,6.65136826443772,6.926167398163873,7.029164717098458,2.637646225607197,0.378537583556999,0.0056366156882749,9.912655645265518,3.296921900415485,6.288652169470463,0.6199658428292214,5.030737546086695,10.698858352596206,0.6457812509657577,10.196987553812756,1.0278383624477834,25.15368773043347,-5.030737546086695,-10.698858352596206,-0.6457812509657577,-10.196987553812756,-1.0278383624477834,-20.050999837169563,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0076,14.78140741350362,15.484583838131528,16.118451966249765,16.691854940926856,17.212311946361186,17.686130595759007,18.118595389842625,O.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes O, [Co], topology rna"
RSM0021_0,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0045748591347705,0.1887809345006761,1.1854685150005575,3.2575391255370287,5.559714560725277,7.173487942060601,8.039512722799463,8.447512066959034,8.601010920489822,2.4701349479337686,0.1045806639461846,7.676480536383457e-06,9.50770258507841,3.20342184615322,5.686076675751509,0.4274601626282202,19.009057078167377,42.95185798384311,2.0,6.9909429218326204,1.5559696002155166,59.9547146091631,-19.009057078167377,-42.95185798384311,-2.0,6.9909429218326204,1.5559696002155166,-59.9547146091631,-19.0,-42.933795,-2.0,7.0,1.56,-50.0,-21.0,-46.922495,-2.0,5.0,0.6699999999999999,-60.0,RSM0021,18.98856705494023,19.31899650467634,19.58410827187462,19.799599971174707,19.976835656569257,20.124173601598848,20.247852540834188,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_1,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0045773763122328,0.1885347427029722,1.1839825861463853,3.255169269728429,5.557259181377735,7.171137144593108,8.037238166141973,8.445275731378903,8.598789200534755,2.467946512379743,0.1044668461476429,7.701786639718494e-06,9.499402531269991,3.198070174983874,5.682890439483072,0.4266953504016665,19.009458284874665,42.95265813043978,2.0,6.990541715125338,1.5557910632307757,59.95270857562669,-19.009458284874665,-42.95265813043978,-2.0,6.990541715125338,1.5557910632307757,-59.95270857562669,-19.0,-42.933795,-2.0,7.0,1.56,-50.0,-21.0,-46.922495,-2.0,5.0,0.6699999999999999,-60.0,RSM0021,18.97210135499404,19.307357752405075,19.57577148412697,19.79356329139197,19.972427714572547,20.12093611749983,20.24546731992836,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_2,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2305337909988861,0.8721538337659843,2.3033501937629186,4.846534216236144,7.565081007693367,9.434027564518177,10.42748991575673,10.8935212703018,11.068540546958648,3.896599067288184,0.6861375421269928,0.0273019315941684,18.96089087672126,7.406542023784875,11.80215759158938,2.2391660233140893,2.086735187256846,4.578247606399889,0.4040380652895685,5.319039709573394,0.1710257859113554,17.848988633985563,2.086735187256846,4.578247606399889,0.4040380652895685,5.319039709573394,0.1710257859113554,17.848988633985563,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0021,3.2705981877001578,3.940923018533506,4.620362796085988,5.295459438603721,5.956512111051376,6.597092556192785,7.2134109788254195,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_3,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2301975649548635,0.858102539066237,2.2522935070367964,4.805333069766988,7.553559566013636,9.439782967505808,10.440653435271471,10.909712279790469,11.085794403875283,3.846696482058208,0.6784031757203027,0.0272398512086687,19.05017866280813,7.168900991270903,11.85048535877912,2.0493817362544147,3.720228636637629,8.088503141138782,0.6489414842344162,8.911760510512961,0.4387364603642143,26.824760713221,3.720228636637629,8.088503141138782,0.6489414842344162,8.911760510512961,0.4387364603642143,26.824760713221,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0021,3.0180131098999645,3.634223344598707,4.266366650788797,4.9022392368624566,5.53236896092267,6.149920675509922,6.750347129198739,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_4,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2304919637974911,0.872461889445993,2.30452664312281,4.847310482084643,7.5648356961993395,9.433110967972354,10.426249625757304,10.892138072333816,11.067105189847172,3.8976640198539183,0.6862891207207467,0.0272907683448978,18.96006009298437,7.409792339935446,11.79987363499297,2.239860921625085,2.084900757707603,4.574186780868709,0.4036478353600368,5.314083440587898,0.1709411458798142,17.830844686664566,2.084900757707603,4.574186780868709,0.4036478353600368,5.314083440587898,0.1709411458798142,17.830844686664566,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0021,3.262548147854015,3.932325647166382,4.611426832743154,5.286357356554486,5.947379949894417,6.588033771299757,7.20450164392682,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_5,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2301458353208518,0.8580409406230955,2.2523198352175946,4.805098394576777,7.553038337518221,9.43915418152843,10.439998037907134,10.909051323295555,11.08513246421591,3.846581904191898,0.6783297821372786,0.0272292611610737,19.05020483634287,7.166545190153299,11.85139292154592,2.048728037555568,3.717499014722072,8.082538211572803,0.6484360496618271,8.90498741201669,0.4384694684353958,26.803028402717548,3.717499014722072,8.082538211572803,0.6484360496618271,8.90498741201669,0.4384694684353958,26.803028402717548,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0021,3.0117057006001624,3.627898819990808,4.260155783850672,4.896233438354402,5.526627419289331,6.1444779303522425,6.745219796115681,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_6,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2308639929866273,0.8723683680332367,2.302647029294828,4.847658254214905,7.569901692511502,9.441550590800992,10.436428784615574,10.903114610519184,11.078377826511302,3.896703916770951,0.6864870049290904,0.0273702651548821,18.98526052365749,7.408927622985827,11.820796678559011,2.24144307419153,2.0880853686208187,4.580989445372665,0.4040856931200811,5.320770913581468,0.1715373144361119,17.84557167530159,2.0880853686208187,4.580989445372665,0.4040856931200811,5.320770913581468,0.1715373144361119,17.84557167530159,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0021,3.279036823209486,3.949744310210242,4.62949951862908,5.304842195646227,5.966068033215848,6.606748090007475,7.223095447175132,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_7,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.230554244391341,0.8587787161271995,2.2535660562271502,4.808603181805376,7.5595592386559005,9.447857898955569,10.449883449416529,10.919495375668692,11.09578698600886,3.8491288122721214,0.6790168961026224,0.0273126565068707,19.075776552831467,7.1821737488053925,11.864300932794688,2.053393039553039,3.7085529189259305,8.063289038800642,0.6470708576451376,8.885119780087033,0.437048190837406,26.752195440529977,3.7085529189259305,8.063289038800642,0.6470708576451376,8.885119780087033,0.437048190837406,26.752195440529977,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0021,3.0189889192787915,3.634551633510452,4.266038666595841,4.9012866453558575,5.530848533629569,6.147902355319772,6.74790544885394,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_8,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2307820117790609,0.8725889057066339,2.3038664621192013,4.849300363830017,7.571300835606992,9.442628053295538,10.43730658410088,10.903893594247004,11.079118951158334,3.8983085128451975,0.6865620871942476,0.0273517552992377,18.99216012189861,7.414970061437179,11.822869644234537,2.242100899912046,2.089779870064147,4.584845277079226,0.404547766963263,5.326162005770251,0.1714249791224272,17.869444337107673,2.089779870064147,4.584845277079226,0.404547766963263,5.326162005770251,0.1714249791224272,17.869444337107673,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0021,3.2727430048685684,3.943238730472905,4.622874825418817,5.298177825161627,5.959431264708338,6.600194423700719,7.216669262735106,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_9,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2304791987089602,0.8586791308644108,2.25395018894258,4.80971305173912,7.560832619913348,9.44900925302788,10.450916580287048,10.920462655740694,11.096727976850795,3.850043409258344,0.6789026904427489,0.0272987726050395,19.083234614888188,7.185323452229031,11.867439230798166,2.053062377731929,3.7128500229387975,8.072485727269349,0.6476787655031072,8.894280146963656,0.4378205748894389,26.77326347052351,3.7128500229387975,8.072485727269349,0.6476787655031072,8.894280146963656,0.4378205748894389,26.77326347052351,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0021,3.012795332519791,3.628409986421385,4.260042464933997,4.895500214750167,5.525312568234084,6.142639266209754,6.742924087916175,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_10,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1582890950956489,0.803643859029335,2.051019528789589,4.12592109116018,6.407323772283819,8.016228619930002,8.882813101701139,9.29177299247942,9.44574305379113,3.346794422473593,0.617075206338795,0.0097807751122788,12.743471686079276,5.867954023687413,7.276091733505087,1.483678666157888,1.9198807223519267,3.942451834060213,0.1031498999682925,2.667858460668195,0.649055993457837,11.433150397504958,0.9366451360627962,1.7787907981804945,-0.0934972172895335,0.0873142296195585,0.5769958537202137,-11.191833330535982,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0021,6.265270086165192,7.014485870543037,7.76995323193087,8.523954059728517,9.269583152615697,10.000749547345958,10.712283505863144,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_11,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2092063599725822,0.9494711531031677,2.4664538032570005,4.867680469169311,7.400781044145676,9.1589726512726,10.09996086474609,10.542851902357452,10.709417152329888,3.983036079208236,0.7305961708557496,0.0203116773232195,17.53123886263403,7.930264823957661,10.500380136598414,2.202798657721412,2.26489908790904,4.940793358020403,0.4110453458734737,5.553261854896828,0.2371700706067591,19.545402357014662,-1.8455543708256967,-4.10447322150524,-0.4110453458734737,-5.133917137813487,-0.050561671504672,-19.545402357014662,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0021,9.458920792338391,10.220512758374085,10.940956814163677,11.622430082918552,12.266955895920155,12.876392753290425,13.452437910064631,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_12,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2145153333530002,0.9681628012998592,2.5389584092074524,5.091379654242803,7.767745943312936,9.60489934497276,10.581933794785282,11.040434626421185,11.212657338874433,4.149705898694083,0.7457639742480587,0.0206017389229415,19.537191166889336,8.581921028466711,11.758039703616266,2.345748565244953,1.8317185273058108,4.02101427382859,0.3568601942718756,4.686600081480816,0.146001880391319,16.29579652196657,-1.7368834154129449,-3.831879868425054,-0.3568601942718756,-4.591764969587951,-0.1038002555989936,-16.29579652196657,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0021,9.6945019302726,10.420422691480082,11.10091122029216,11.742267360529674,12.349046791349394,12.924456002572928,13.470743924236222,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_13,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581931933784449,0.8034199407365362,2.0505079730458173,4.125382338989425,6.407289883678449,8.016688094038823,8.88356039606123,9.292659437549498,9.446682316087198,3.3461867853690714,0.6168821108636252,0.0097676895729928,12.745611368850437,5.8646949986565815,7.279977803152978,1.4829619522627142,1.921808611304144,3.946777053084125,0.1034538222205143,2.6704240540107373,0.6490679922369331,11.443543318728992,0.9366548485099516,1.7788949700598389,-0.0935769303383241,0.0843320410403608,0.576798470060806,-11.196621021674234,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0021,6.24520485681202,6.994417277230055,7.750098153757385,8.504474582883288,9.250592325458037,9.982321841044094,10.694464829640223,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_14,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2092120694169718,0.949533201087564,2.466784103784049,4.867927917719619,7.400393375565671,9.158008888287268,10.098669722080665,10.541404303160649,10.707910454946733,3.983396761632773,0.7306299708659292,0.0203127009373323,17.531300792261394,7.930720042715132,10.50078124672332,2.2033136398513906,2.2607749984457133,4.931705544107845,0.4102083645722513,5.542441915023724,0.236904190735371,19.5080422836736,-1.8413086472768,-4.095142826654122,-0.4102083645722513,-5.12297556385481,-0.0502416644652045,-19.5080422836736,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0021,9.442283899666483,10.20383755179385,10.924531660907428,11.606462521516638,12.251586272539848,12.861707721909656,13.438483008453868,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_15,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2145259459581816,0.968234398345592,2.539118080827849,5.091425745950601,7.767544446484258,9.604476388381274,10.581378047984993,11.039813204412791,11.212010711106988,4.149813247427698,0.7458129371733178,0.0206033537394074,19.53812955717372,8.581382324373477,11.76007095511068,2.346272686282648,1.8329200188211563,4.023668863313654,0.3571108173322085,4.689806557478827,0.1460666258775234,16.306816440749955,-1.7381881545009292,-3.834740369706609,-0.3571108173322085,-4.595074693158598,-0.1039109462550223,-16.306816440749955,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0021,9.682584256313117,10.409374223503342,11.090752552097593,11.732965804708844,12.34054482937442,12.916686560700446,13.463638512588153,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_16,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1580776958713155,0.8035838851897958,2.0539207214040305,4.13294516757937,6.416706872795567,8.02667227122302,8.893712617018917,9.30286674520177,9.456906889192153,3.3525859095613084,0.6168482297577083,0.009748451357291,12.777982742896691,5.89004131870454,7.2877261459764195,1.4867613121301606,1.928692714074002,3.962308341157443,0.103917085700457,2.666788896472951,0.6490734258782244,11.444997540490174,0.947797171572374,1.8037966933143992,-0.0922620227998685,0.087322828717246,0.5765062918314133,-11.153620967975463,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0021,6.263730701024198,7.013275258957336,7.769231491312609,8.523810935546914,9.270051995709654,10.00182195531054,10.7139226188949,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_17,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2092325341572666,0.9495731895756524,2.467170512386883,4.871616678066009,7.408574997882012,9.169212557181208,10.111407630608726,10.55484176507757,10.721607175492585,3.985636152558413,0.7306976428124368,0.0203019383109645,17.56698972179235,7.94439720052973,10.52001904882357,2.204224968344162,2.263539344279933,4.938114587821652,0.411077386792532,5.552158438620188,0.2365049079685724,19.53924445725031,-1.8472345236453875,-4.107857068789147,-0.411077386792532,-5.135853617985642,-0.0512492627861996,-19.53924445725031,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0021,9.46153401974241,10.222902534652876,10.943076824502036,11.62428203601672,12.268561665744382,12.877781314484814,13.453639254106896,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_18,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2144802752428888,0.96810546563916,2.539804232197247,5.094088312744052,7.771902654245912,9.609875306024335,10.587315412240349,11.046002064335676,11.21829399375926,4.151785861772616,0.7456874593207051,0.0205923579944899,19.55655265147421,8.592180081919112,11.76479855991789,2.34674832798868,1.8297399413618949,4.016656440879973,0.3564607412390547,4.681425871274333,0.1458703840828153,16.277914531590568,-1.734867471028653,-3.827447529670871,-0.3564607412390547,-4.58655340094109,-0.1036521347845226,-16.277914531590568,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0021,9.691473018387068,10.417478602023484,11.09793125516735,11.739201686728087,12.345886752852104,12.921215150887816,13.467446305896116,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_19,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581222587845449,0.8036585158850356,2.0537517549402584,4.133192288940728,6.418326171916094,8.029497631868143,8.897227708330416,9.306713681560762,9.460879610317216,3.352540970330753,0.6169327293115361,0.0097537945617235,12.78546236045882,5.890261300860729,7.29378858138437,1.4867003276179076,1.9325731780595643,3.971183288728788,0.1045383087548141,2.670317238194291,0.6488163644219749,11.461024910992238,0.9487915967012897,1.8063207623076736,-0.0922180075168407,0.0816843735678427,0.5758243528121747,-11.153017380042902,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0021,6.246583224134329,6.996445001483845,7.752885288936075,8.508056814231177,9.254953034288716,9.9874079901293,10.700199923260303,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_20,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.209270703355886,0.9496846830721152,2.467430387189369,4.872159393564426,7.409552681961209,9.17053484436972,10.112921214004832,10.556446343156084,10.72324608985873,3.9860571034102814,0.7307860667619162,0.0203094211388023,17.573467297519546,7.945196266874238,10.524454592707244,2.20462814143631,2.264578920728616,4.940476517422961,0.4113573552805957,5.555437762973381,0.2364425785731168,19.55004170925499,-1.8489946320773416,-4.111655991351294,-0.4113573552805957,-5.139853474322107,-0.0515075701232999,-19.55004170925499,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0021,9.451425223379244,10.212216839978405,10.932081113367468,11.61319360697436,12.257552386721466,12.866981394423703,13.44314249128755,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_21,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2145291308922242,0.9682437196906778,2.5401249598525752,5.094403232232177,7.772113899392672,9.61003310304491,10.587455561167802,11.046136725738004,11.218427062203144,4.152127730911664,0.7457953598488333,0.0206039585243158,19.558981546296607,8.59291046751891,11.766631234474383,2.3474992237926724,1.8320118366736804,4.02163097796239,0.3568909821361922,4.687139693763219,0.1460746758144272,16.297878826092248,-1.7368979846882422,-3.831940667255231,-0.3568909821361922,-4.592025841777781,-0.1037490116809071,-16.297878826092248,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0021,9.676767898318928,10.40345715210132,11.08478013362126,11.726982949805828,12.334593894534558,12.91080568946803,13.457860565893526,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_22,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0644152418938701,0.3644246119515559,1.385953254250215,3.5583616544942345,5.941695737822215,7.572543455452874,8.43509908284916,8.838644774785276,8.99002027723503,2.7306148921182083,0.263854416409946,0.0042333270748691,11.60145672143926,3.652450705286241,6.968528464140883,0.5214971592160935,6.568086325068208,14.63544727258618,0.6556844480237604,3.727201502083772,0.7851185217335216,22.73248111637289,4.406259941811495,10.162991300110054,0.4995098958583138,-3.727201502083772,-0.7851185217335216,17.266371790582273,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0021,14.84795945609894,15.604856653788104,16.27749385412217,16.878798185888172,17.418885536443064,17.905818630820413,18.346156367233498,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_23,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0699680594253751,0.3991971206447082,1.4828630246582566,3.793642585066337,6.338363475595631,8.074693552858296,8.990436556668852,9.418189870329297,9.578532160733888,2.910544040842534,0.289322541738347,0.0048072519824784,13.443143931041806,4.197155289866698,8.200541883654518,0.7012291242074689,5.329927052969667,11.703702596404389,0.5210235417445166,4.453043863196895,0.8282287570102689,20.343295860187204,1.5169557292338471,3.768016443603788,0.199700961645327,-4.453043863196895,-0.8282287570102689,9.097005556715567,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0021,12.891056517596905,13.786635539975803,14.589966589017983,15.312422877146586,15.963831322608872,16.55260761318251,17.085955509169686,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_24,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0643935493788083,0.3642365622092316,1.385611023163204,3.557811637557676,5.9411569438300615,7.572171595102882,8.434861288712245,8.838479600952793,8.989883897735378,2.7301276623264887,0.2637150802977671,0.0042314373028988,11.600778852724796,3.650154552967946,6.969525507471968,0.52089314334784,6.563028234295401,14.623564105607889,0.6552718318183794,3.731720176268092,0.7850877677789095,22.72328778075908,4.393841161341211,10.135382445657172,0.4980828414065271,-3.731720176268092,-0.7850877677789095,17.221673116344242,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0021,14.787476468115472,15.549395702375772,16.226341791280706,16.831424814695826,17.374878963901622,17.86484540023172,18.30793693391858,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_25,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0698854027823501,0.399051599332906,1.4836390755939786,3.7954564813532334,6.34016074975226,8.076164988841246,8.991677723303315,9.419313319316768,9.579610042457864,2.9121346681637803,0.2891544785754593,0.0047962219245576,13.450648322596242,4.20117116138277,8.205531436504602,0.703486709725314,5.319770154965523,11.680965890737982,0.5196638641779319,4.442145654756025,0.8273968352019058,20.305181507786425,1.5133564778220556,3.7596687440589736,0.1996126234839186,-4.442145654756025,-0.8273968352019058,9.103388083495958,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0021,12.85638991831579,13.753072943302229,14.557806577911292,15.281830446083749,15.93487707183008,16.525297818404898,17.060254256556433,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_26,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.06400574665437,0.3648198743277152,1.395913069380207,3.582091736196138,5.973340014836564,7.607327661534714,8.47105120212653,8.875048560492647,9.02657932817408,2.750126157728225,0.2636094646868523,0.0041800467545952,11.70979473376395,3.711887350035562,7.0178643779964025,0.533627471776504,6.650973634778554,14.823320456633,0.6643067240889157,3.7505184356666215,0.791397846263877,22.986231934113693,4.497831425553009,10.36933801469531,0.5092517033144068,-3.7505184356666215,-0.791397846263877,17.559306207005886,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0021,14.267326967000416,15.08758016203512,15.815275689002537,16.464381522181654,17.046012370101202,17.569127851690013,18.04106695901617,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_27,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0700850867650654,0.3990570783346146,1.4783316417260586,3.78164695812069,6.32187256660475,8.056537215417658,8.971748750005075,9.399325848110864,9.559613255360116,2.9009116620492703,0.2893935647819015,0.0048240949857725,13.3778740924776,4.166900511026845,8.16422284063116,0.6914323131425487,5.3284684285823225,11.700610817380705,0.5206792774078899,4.447212958408851,0.8280434101051228,20.333980031115875,1.520610435653052,3.776070650825314,0.2002763925116231,-4.447212958408851,-0.8280434101051228,9.119879059746534,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0021,13.47946068895972,14.311240990251704,15.059636282660115,15.734712267342214,16.345117096388563,16.898257247742578,17.40049232255975,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_28,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0640506763685561,0.3649167702962717,1.3957910107173213,3.5826422663974964,5.975064175735987,7.609841505803739,8.473959926141706,8.878135676541568,9.029732277383433,2.7503238187464376,0.2637192769205724,0.0041851466030009,11.717573020719753,3.71233315951148,7.023734111367164,0.5339974099620646,6.6456205070727705,14.811001237438036,0.6636795689766594,3.749514898382133,0.7912437161452608,22.971174834733965,4.490472425039682,10.35293197562854,0.5085407396667566,-3.749514898382133,-0.7912437161452608,17.54131580888737,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0021,14.862613136796988,15.61598195181498,16.286454998220332,16.88646865926055,17.42581597184279,17.91234720585119,18.352482533508343,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0021_29,RSM0021.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0700800097384288,0.3989593025385392,1.478571004187961,3.783528444404045,6.325338796732568,8.06085207249985,8.97643834103227,9.40417409671888,9.564518358537129,2.902160239992204,0.2893263959252943,0.0048239968021025,13.393069298073287,4.171877998215095,8.172970382444397,0.6917555654267237,5.3312943757302245,11.706977061452136,0.5209872387575452,4.448622751068793,0.8282877392902657,20.34325996024888,1.523049992820781,3.7816027269043535,0.2005226947741395,-4.448622751068793,-0.8282877392902657,9.127000920829683,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0021,12.982625611735376,13.863026846784804,14.654004013087064,15.36637325180315,16.009510171172035,16.59147180523305,17.119178530360884,"[Co].[O-]C(=O)C=CC=CC(=O)[O-]bex,pcu.cat1","linker [O-]C(=O)C=CC=CC(=O)[O-], nodes [Co], topology bex,pcu"
RSM0492_0,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0039744562304496,0.2139294072807037,1.4392655904708755,3.8980584403148417,6.355528009431247,7.948397670737101,8.76970306010615,9.149680290027,9.291562948408457,2.9929748352034173,0.1151610667500064,3.050095889872992e-06,13.096882961194671,4.6228022523127565,7.506340537102602,0.5648072627503039,19.602761007887548,44.178254232530655,2.041568228316015,6.729784818640571,1.3837420330179648,59.895970942683306,-19.602761007887548,-44.178254232530655,-2.041568228316015,6.0646931655843375,1.3837420330179648,-59.895970942683306,-19.0,-42.933795,-2.0,7.0,1.56,-55.0,-26.0,-57.925255,-3.0,-8.0,0.3200000000000003,-95.0,RSM0492,20.48677771431036,20.864275616217725,21.160293882748352,21.396338848831835,21.58737010618541,21.74401771309041,21.873983968751823,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_1,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0039751857836805,0.213940151551958,1.4393022342145512,3.898179636854352,6.355702709487006,7.948579821650858,8.769880774669383,9.14985412844064,9.29173505125365,2.99306559449968,0.1151689647187509,3.051695229300611e-06,13.097749149467193,4.6231076292272,7.506847586599775,0.5648287961975703,19.602543715509185,44.1777902935068,2.0415385508859494,6.729764691578411,1.3837826531784072,59.89497998447054,-19.602543715509185,-44.1777902935068,-2.0415385508859494,6.065147877403217,1.3837826531784072,-59.89497998447054,-19.0,-42.933795,-2.0,7.0,1.56,-55.0,-26.0,-57.925255,-3.0,-8.0,0.3200000000000003,-95.0,RSM0492,20.48837721089379,20.86565115339604,21.161485920419587,21.39737963867493,21.58828532453472,21.744827873390545,21.874705556386225,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_2,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416222842155927,0.4983312608680119,1.4055052935562051,3.122314649590691,4.995893520649252,6.298874132796709,6.995567339788078,7.323267531400167,7.446475261658014,2.475432895178164,0.392065646812321,0.020299796553753,9.762699800136572,2.709139258965043,6.180272242218156,0.2881403720068565,3.945513938748441,8.572675570217262,0.6706279503780608,9.134533967456347,0.4756139551168538,27.27924525212084,3.945513938748441,8.572675570217262,0.6706279503780608,9.134533967456347,0.4729319958891725,27.27924525212084,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0492,3.298166732438514,3.900461144471766,4.528470944287945,5.167403967796635,5.805033558043759,6.4319943995317095,7.041635722610936,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_3,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413312558667239,0.5047754251170383,1.4855184582769887,3.350579520313748,5.32919739530525,6.673786311375636,7.383952114187252,7.716096440966066,7.840677735901917,2.6531074191406416,0.394411686624209,0.0202475278920516,10.71056983337905,2.9363010026194125,7.060115212090147,0.5962601683669952,2.698491255299174,5.90709994615648,0.5095552776109913,6.774933476187105,0.2456122189292924,22.17641315627352,2.698491255299174,5.90709994615648,0.5095552776109913,6.774933476187105,0.2456122189292924,22.17641315627352,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0492,3.536931393396573,4.203597224539257,4.890458287852463,5.580007578360986,6.258847840877998,6.917543741384424,7.550065032651703,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_4,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412190818515606,0.4847296306852982,1.3581047069195964,2.96789421484947,4.618471542672275,5.720934181422978,6.299191089696914,6.568895497957492,6.669947543646119,2.373667111367149,0.383831313101145,0.020299013982523,9.489821480165851,2.313694833131028,6.365430099984525,0.3033391985895312,2.352135014651929,5.147601192257314,0.4428465706112237,5.894907579541719,0.2174941167247868,19.238584869526008,2.352135014651929,5.147601192257314,0.4428465706112237,5.894907579541719,0.2174941167247868,19.238584869526008,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0492,3.4385363490750835,4.100324460852527,4.785316251755583,5.475286183742488,6.156179533451947,6.818013375838283,7.454327521725414,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_5,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408224957274852,0.4916320723232681,1.383297525244014,3.044555937593184,4.747968461783905,5.8797777844558485,6.471329976553944,6.74675469500297,6.849873002639181,2.4300151045876777,0.3881724065921984,0.020085497056447,9.352587517861648,2.563334307931735,5.98709015699409,0.2687585429692878,3.1585427515565376,6.8906175824335385,0.5608343417235653,7.460305950572738,0.3302031925363219,23.531729996714144,3.1585427515565376,6.8906175824335385,0.5608343417235653,7.460305950572738,0.3273854929588389,23.531729996714144,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0492,3.119898659627343,3.725618394478166,4.361548779600135,5.011391596823053,5.661631677771262,6.3019239469316215,6.924937608963021,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_6,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1333664807315934,0.5251931650934601,1.602615889151752,3.4858639816538823,5.377011567526709,6.635794925997913,7.2959660220934115,7.603939088695489,7.719344078635208,2.7988411980416354,0.4014653028880697,0.0177959715498756,10.37905405549261,3.4410646344959783,6.410306227049597,0.6071786450331166,2.6496229286888613,5.786558755638913,0.4773286933435191,6.326610476934918,0.26800441607663,20.2154803186385,2.6496229286888613,5.786558755638913,0.4773286933435191,6.326610476934918,0.265846061813741,20.2154803186385,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0492,3.884089355346782,4.4291349377762605,4.993812761850273,5.569291684163557,6.147152129387554,6.720267128546415,7.283136980852139,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_7,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1332363351829025,0.504429192193872,1.432900923887239,2.9921426521805,4.568149293639627,5.631299414832384,6.193367044297174,6.456583046956167,6.555377173750277,2.4244087394877822,0.3908953387062399,0.0178454447357932,8.412201438351142,2.416573923667184,5.385467330816923,0.3576686798195513,2.0720651770988305,4.53639715817738,0.3917621519323275,5.2061623925574505,0.1892406771152406,17.063024749768772,2.0720651770988305,4.53639715817738,0.3917621519323275,5.2061623925574505,0.1892406771152406,17.063024749768772,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0492,3.982893453720525,4.526106422503192,5.0904368829411375,5.666416783202855,6.245091023020239,6.818937665571957,7.382198101706873,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_8,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415950135384062,0.4983062485992094,1.4055629316139595,3.121985559821961,4.994712379288627,6.296995549468536,6.993298499832807,7.320812412285768,7.443949745231567,2.475316893131954,0.3920317058940799,0.0202921375136594,9.758278279667389,2.708391918026855,6.177860729442832,0.2883272822492091,3.9440106751070094,8.569355823770248,0.6703205761742688,9.130640116795256,0.4755317308706561,27.265220945130164,3.9440106751070094,8.569355823770248,0.6703205761742688,9.130640116795256,0.4728508140294233,27.265220945130164,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0492,3.296963290832593,3.8991626049484776,4.527119786262718,5.166034077813502,5.803670513800259,6.430656628247039,7.040335909377341,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_9,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413250094724179,0.5047281071341044,1.485274984267989,3.349665484848926,5.32727288875876,6.6710953720632125,7.38084293030084,7.712789536120296,7.837296389999508,2.6524889702511376,0.3943827156796131,0.0202458769212437,10.704471364304377,2.933891657203122,7.05701268810482,0.5957880247990379,2.699560265290371,5.90952675261754,0.5098414009972153,6.778291473268093,0.2455468191903081,22.191096743353214,2.699560265290371,5.90952675261754,0.5098414009972153,6.778291473268093,0.2455468191903081,22.191096743353214,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0492,3.5368865468623083,4.203510400993163,4.890335617566622,5.579855493982095,6.258672359153293,6.917350149811963,7.549857800542434,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_10,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412206236503937,0.4846298868407967,1.3572635220033031,2.966030996978477,4.615950507725303,5.718090592122097,6.296202911399606,6.5658445535430285,6.666873777003169,2.372121772641324,0.3837873151173306,0.0202996414480371,9.482641211460484,2.3096232657323124,6.361702000998096,0.302339960769369,2.3524446664945606,5.148289739158015,0.4429154997514022,5.895768664505777,0.2175006546260552,19.24186165012535,2.3524446664945606,5.148289739158015,0.4429154997514022,5.895768664505777,0.2175006546260552,19.24186165012535,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0492,3.4395608616620605,4.10133368493516,4.786301122878525,5.476239034793233,6.157094613782013,6.818886883366687,7.455157379521832,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_11,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408240789703206,0.4916823224979562,1.383630382046726,3.044887496758435,4.747935307894672,5.87943147037343,6.470811332919934,6.746154861491112,6.849242679213995,2.43041042452155,0.3881962816993083,0.0200858282943106,9.353145764574714,2.5644282838545416,5.986946276296195,0.2689520080785948,3.159746898059623,6.893222809327428,0.5610415242660068,7.463306276562603,0.3303683199978987,23.54016249961704,3.159746898059623,6.893222809327428,0.5610415242660068,7.463306276562603,0.3275527342359928,23.54016249961704,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0492,3.1190337438579707,3.724679713241634,4.360553774915945,5.010357007438728,5.660572593770249,6.300853391589804,6.923866453604805,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_12,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1333740874754798,0.5252538437442417,1.6026228436267522,3.48544164738202,5.37611837225359,6.634611399700043,7.294639940350201,7.602548860507685,7.717930199805735,2.7985903180996354,0.4015080897228773,0.0177976047674819,10.376132901433635,3.4404577645074697,6.408654175776643,0.6074976146299537,2.648211134213414,5.783502431426438,0.4770991931733732,6.323418668155761,0.267810605494033,20.20645428372785,2.648211134213414,5.783502431426438,0.4770991931733732,6.323418668155761,0.2656531043672576,20.20645428372785,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0492,3.884004211929586,4.429029676138578,4.993688186485819,5.569148436398041,6.146991107303134,6.720089674277244,7.282944898709901,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_13,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1332394619096107,0.5045239977752821,1.4332743969225317,2.992646824063079,4.568581513700289,5.631644225274365,6.1936615700477216,6.45685373201961,6.555638902347291,2.4249009260910586,0.390951079679848,0.0178456517975045,8.413011437832386,2.4172835155422536,5.38602425556115,0.3580939333522966,2.07187108828784,4.5359692793662765,0.3917224426346332,5.2056506293649045,0.1892326595851585,17.06121554298512,2.07187108828784,4.5359692793662765,0.3917224426346332,5.2056506293649045,0.1892326595851585,17.06121554298512,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0492,3.982471420407404,4.525635366016584,5.089919478301125,5.665857412764336,6.244495221500535,6.818311542086134,7.38154784565969,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_14,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141594931807037,0.4983159587670299,1.4056949966743943,3.122880142394527,4.996869174123413,6.300151060979101,6.997010791413602,7.324790519607328,7.448028344637904,2.4758601851520137,0.3920373044047595,0.0202919932163469,9.765196063974118,2.7103327989212547,6.181551861037034,0.2883341756523462,3.9457829867383,8.573238022058474,0.6706388462233907,9.134683850882649,0.4756858051077129,27.27873641110397,3.9457829867383,8.573238022058474,0.6706388462233907,9.134683850882649,0.4730007017836324,27.27873641110397,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0492,3.298211224993896,3.900525694719154,4.528547566808289,5.167486750531851,5.805118332194379,6.432078354611819,7.041717054326377,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_15,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413336508387777,0.5047584391311171,1.4854857207039922,3.3507251858752496,5.3296999404394505,6.674585013888878,7.384918857659797,7.717143996576116,7.84175593277718,2.653162038035592,0.3944020697829143,0.0202484344511139,10.71155807894217,2.936352288650574,7.060703254775107,0.5961423239514949,2.699029181707705,5.90821004973368,0.5095912997477346,6.7757595796895815,0.2457881690694545,22.1762450738029,2.699029181707705,5.90821004973368,0.5095912997477346,6.7757595796895815,0.2457881690694545,22.1762450738029,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0492,3.5371989525855043,4.203882302621375,4.890755126163198,5.580311010118073,6.259153505381531,6.917848121143725,7.550365396373641,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_16,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411928814079424,0.4846934676332163,1.3581731363635796,2.9681963226380605,4.618945085958552,5.721485213096492,6.299772687861256,6.569489206302958,6.670545454136247,2.373889374312725,0.3837933840827806,0.020291610627981,9.489932469227588,2.3138648629653416,6.365847266529808,0.3037211518097034,2.3534250018474543,5.150416878698128,0.443082210765835,5.898082687974135,0.2176277845081954,19.24862974437118,2.3534250018474543,5.150416878698128,0.443082210765835,5.898082687974135,0.2176277845081954,19.24862974437118,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0492,3.438836537888384,4.1006783731214265,4.785713153713013,5.475716098571974,6.156633412732969,6.818483242566413,7.454806533601189,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_17,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140798126013417,0.4915727074785679,1.3829196657717016,3.043632659394893,4.746641971499374,5.878227035737038,6.46966991101808,6.745045069854089,6.848145009603212,2.4292703501077284,0.3881297118814963,0.0200785751461933,9.348979055916852,2.5614683300319525,5.9853131659917285,0.2684447948323288,3.159632414431209,6.89303331733027,0.5610729518689664,7.463352934676953,0.3302469739698492,23.542967092495164,3.159632414431209,6.89303331733027,0.5610729518689664,7.463352934676953,0.3274300125267104,23.542967092495164,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0492,3.120317110623978,3.726065639531359,4.362011429702054,5.011859652087907,5.6620978279953365,6.30238297283598,6.925385892385551,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_18,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1333781450918102,0.5252291685100238,1.6027831859523178,3.48603816573394,5.3770123963420335,6.635638582472855,7.295720741273111,7.603651343904973,7.719040295586739,2.7990428381474204,0.4014897034220556,0.0177990837189239,10.3792631220956,3.44161506184884,6.410111733461928,0.6072202790768703,2.647588354547537,5.782136151028934,0.477007588627992,6.322482016130897,0.2677592436797187,20.20300623387911,2.647588354547537,5.782136151028934,0.477007588627992,6.322482016130897,0.2656081267663385,20.20300623387911,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0492,3.884178928580399,4.429197946683203,4.993859513275918,5.569328894346019,6.147184076370825,6.720296481842495,7.283165372965048,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_19,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1332232096506446,0.5044525602489361,1.4330360288947648,2.9922474613931698,4.568099928435164,5.6311212703376,6.193117578269694,6.456299785222155,6.555081184100748,2.424546202250654,0.3909006234268871,0.0178416739712787,8.412146886854618,2.416835957471214,5.385419796160699,0.3577884017672427,2.0720385118330573,4.536345849041711,0.3917639911953275,5.206150441395677,0.1892246653242275,17.063286824507642,2.0720385118330573,4.536345849041711,0.3917639911953275,5.206150441395677,0.1892246653242275,17.063286824507642,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0492,3.982480373588497,4.5257464018478455,5.090130765784442,5.666162192900707,6.244883630630561,6.818772155488786,7.38206885121306,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_20,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415756152124545,0.4983094739182303,1.405762781907434,3.1225299768240724,4.995643630009216,6.298217853682881,6.994683506910094,7.322275511838505,7.445442451978304,2.475733961455818,0.3920197615875144,0.0202864542094061,9.760488431697231,2.709438081642684,6.179014203486567,0.2885117822070757,3.944318153381436,8.569993208587483,0.6703233894416235,9.130670641081622,0.4756238278396322,27.263987432518185,3.944318153381436,8.569993208587483,0.6703233894416235,9.130670641081622,0.4729383477964657,27.263987432518185,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0492,3.2969062147127985,3.899098421679547,4.527045061296662,5.165947418307336,5.803571980289795,6.430547203643274,7.040217082261697,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_21,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141314832614523,0.504706154801396,1.48529499326062,3.349887919542385,5.327825224666979,6.671914697398388,7.38181324081231,7.713832431257211,7.838366807467512,2.652620406991012,0.3943621558760017,0.0202431450436276,10.705675006947764,2.9341208193168287,7.057726297406097,0.5957320534697254,2.700030948440633,5.910484024426379,0.5098592620981847,6.778905045226111,0.2457268716571082,22.18999360466977,2.700030948440633,5.910484024426379,0.5098592620981847,6.778905045226111,0.2457268716571082,22.18999360466977,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0492,3.5368804892494907,4.203489443628543,4.890300981634588,5.579808928123795,6.258615853537586,6.917285723099539,7.5497873625152305,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_22,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411908755844318,0.4845989668292307,1.3574237416584478,2.966534415766127,4.616683004884053,5.718922752268461,6.2970737925692655,6.566730680699163,6.667765181312902,2.372513283743464,0.3837486011885149,0.0202912376028072,9.483729577165532,2.310299238812366,6.3626029825028025,0.3028087982366996,2.353859857478108,5.1513694418625,0.4431650122134569,5.899179955185763,0.2176643984640517,19.252251567551443,2.353859857478108,5.1513694418625,0.4431650122134569,5.899179955185763,0.2176643984640517,19.252251567551443,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0492,3.439428338849544,4.101231229770569,4.786225660416188,5.476187695376115,6.15706454966764,6.818875281780001,7.455161536660131,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_23,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408000227381267,0.4916239882943037,1.38320169266479,3.0438321393161143,4.746436968096086,5.877694650160957,6.46896001118524,6.744251955880515,6.847320703152345,2.429557146330921,0.3881556718533128,0.0200789442317419,9.349009382586235,2.562251384077801,5.98492143172348,0.2685727127574728,3.1604920333387665,6.894911195169216,0.5612472949743729,7.465836207696125,0.3303328396674863,23.55079126202571,3.1604920333387665,6.894911195169216,0.5612472949743729,7.465836207696125,0.3275193663655795,23.55079126202571,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0492,3.119464299464396,3.72515852510982,4.361063104600361,5.0108827753434015,5.661103966812718,6.301382270099383,6.924386954873929,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_24,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1333567556083937,0.5252013367077126,1.6026254116139804,3.485493724848752,5.376080949617116,6.634476086640723,7.294446871369348,7.602327844471761,7.717698578221906,2.798645003255384,0.4014637594121623,0.017793262402885,10.376217618781787,3.440699056406217,6.408554257018744,0.6074007349247148,2.6464926682017595,5.779777679203783,0.4768132389930072,6.319448678371282,0.2675828901954832,20.19501692484976,2.6464926682017595,5.779777679203783,0.4768132389930072,6.319448678371282,0.2654259393112998,20.19501692484976,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0492,3.884577618157076,4.429601008586742,4.994258360589615,5.569716713239044,6.147555765647509,6.720648528048459,7.283495655087796,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_25,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1332707681366924,0.5045673327076641,1.4333133358681425,2.992567380745545,4.5682950625484064,5.631199044236515,6.193130100312568,6.456281602982353,6.555051489967492,2.4248789214146385,0.390993196029266,0.0178541436084992,8.412061847782123,2.4171791307353603,5.385537787096943,0.3581743869250119,2.0719703694916025,4.536194519467808,0.3917488846829505,5.205961446955207,0.1892266231503555,17.062570080348525,2.0719703694916025,4.536194519467808,0.3917488846829505,5.205961446955207,0.1892266231503555,17.062570080348525,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0492,3.98208120923291,4.525319790213084,5.089673223196211,5.665673618734884,6.244366295207328,6.818229815207949,7.3815060343606,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_26,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2293590157454249,0.9446343839872602,2.218996428032041,4.09528223543189,5.989554123080481,7.276099795583979,7.958332039156309,8.278200667507559,8.39831322748871,3.416264445728448,0.7444700386908967,0.0244286904610367,11.569306211803504,5.884516094127423,6.640176273533088,1.793717829532118,2.1717055768648974,4.720947955000547,0.3776634694621922,5.193013332562435,0.2700751800039155,18.41179727356833,-1.6049291177570246,-3.5897330755191126,-0.3776634694621922,-4.626236873454562,0.0057107513803813,-18.41179727356833,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.233400852971902,9.9572033773413,10.669240970022942,11.364105908450451,12.037133383505582,12.684617472739362,13.303867410200446,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_27,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2185436122513973,0.9175318955479717,2.203514711916546,4.079035359039843,5.934095986548362,7.179201080530733,7.835903400316389,8.143084204213805,8.258322746252531,3.4053788276998302,0.7192029712118403,0.0234473708350794,11.895062960199624,5.710667849344833,7.140368684872183,1.7789827565962084,2.009738680608101,4.41645070843154,0.3960469546956615,5.178114318173392,0.1517456728162395,17.969632496953736,-1.950730866348514,-4.298768474062933,-0.3960469546956615,-5.119106503913806,-0.1254871954707232,-17.969632496953736,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.683639515597903,10.414391846952112,11.125143278305725,11.812391653500402,12.473156822914598,13.105165358582989,13.70689522612169,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_28,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217840645177996,0.9139751928511048,2.173818127108844,3.9171269824738126,5.553324755069738,6.621158257342753,7.177508691936654,7.436410459565677,7.533336020351375,3.30363836181812,0.7167158452687702,0.0234262402646318,11.035503296293273,5.371342881984479,6.632323400794048,1.7286688003524893,2.1942379255207265,4.82347577419648,0.4339408613245448,5.665764816117086,0.1627967618732015,19.650006854094524,-2.1451706877247223,-4.725618528498018,-0.4339408613245448,-5.61669757832108,-0.1409618410539795,-19.650006854094524,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.75336600336941,10.477292481789926,11.183425339470826,11.867600727372697,12.526314977195112,13.156903257320272,13.757565345646013,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_29,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2277554541766071,0.9411583787611018,2.209951612877364,4.026753052369785,5.783858777833824,6.943254947479358,7.549375151151052,7.831758563444067,7.937517487072291,3.3786548934850367,0.7413130341455832,0.0241417354959247,11.184439387013867,5.744005786114262,6.446994087353955,1.7697803544106698,2.3205852221185883,5.05786050387124,0.4164930194009704,5.652529377326352,0.2624514180960704,19.93278649861235,-1.844344971891116,-4.107284964417203,-0.4164930194009704,-5.176289127098879,-0.0290936954846085,-19.93278649861235,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.2541434551216,9.98687619037649,10.705336827733737,11.404755829581362,12.080940746209103,12.730530312691371,13.351086491933692,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_30,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1024771937098499,0.7243117420154723,2.2029754232284096,4.287924555020807,6.110812821754931,7.237752133734004,7.808854236790267,8.071300335336957,8.169040534683564,3.5695646191742614,0.5231692991482867,0.0036911887263254,13.597120683448212,5.919577682481389,8.46413367421301,1.7389847166461787,0.9766381013133242,2.104616581419116,0.1521405069445378,2.1937621568696266,0.1493405045634208,7.926000645457377,-0.5447669681320536,-1.243314386959049,-0.1521405069445378,-1.761891023688356,0.0428421497022445,-7.926000645457377,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,7.641348131268772,8.390887547406217,9.140370755515091,9.883607143833014,10.614376511384616,11.327011695609707,12.016759827539136,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_31,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003708165238192,0.7277782737903645,2.1971139847456964,4.107627523169326,5.703005437356366,6.683944253661628,7.1829232514458825,7.412921398213948,7.498705585874532,3.465546983904965,0.5231930065739956,0.0035149027502697,11.46593389305974,5.583275558861288,6.96742859876731,1.7536305285320226,1.3870411905104578,3.0488562119914056,0.2741104486832075,3.5799247799761185,0.1032762384961396,12.41741492621644,-1.354063296321617,-2.9830867487158907,-0.2741104486832075,-3.546946885787277,-0.0886010755821053,-12.41741492621644,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,8.246573029985017,8.990022694641619,9.71734265094178,10.429506725104025,11.125243444754949,11.802042105539046,12.457012373231406,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_32,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2363520670297838,0.9321046746992928,2.086156062144828,3.827034056759404,5.5632675430540734,6.714531417964503,7.316182343760264,7.5963010935476625,7.701175031613952,3.195417457132347,0.745140204992348,0.0241262300475637,10.270801722991184,5.020065493608082,5.899462808548537,1.5021627486678373,2.48145635239372,5.350699367362289,0.3897216234235119,5.599229339781815,0.37352003289612,20.201714230438835,-1.4157598818414,-3.2253276113162714,-0.3897216234235119,-4.533532869229496,0.100714896499662,-20.201714230438835,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.273506631663157,9.987209401506025,10.676451208577518,11.341719868887196,11.982690633619404,12.598646719712056,13.188797873412074,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_33,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2362145498870853,0.9307898541510632,2.043548042974229,3.6671336116119377,5.304336456343472,6.4030268613103205,6.980592961059149,7.250187193730874,7.351225865997997,3.077691030614652,0.7445865090902893,0.024148796597586,9.515038207733951,4.6854451438404014,5.553455174163572,1.460366420803515,2.732146216801442,5.915917331395052,0.453013573017815,6.3562548009439634,0.366404617068238,22.72100254436351,-1.7979895133767094,-4.052881909919938,-0.453013573017815,-5.42209809751923,0.0492951159557678,-22.72100254436351,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.340746209273266,10.05277626339894,10.741174056545232,11.406062024650865,12.046841889194496,12.66260665729971,13.25244500825136,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_34,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2293203284210115,0.9445792061992616,2.218856112253968,4.094502547222983,5.987953269206804,7.273959250541252,7.955918413193745,8.275662381165992,8.395728691218478,3.415759423585845,0.744413419801779,0.0244196845322736,11.564253956968,5.881965481640566,6.638006164480629,1.7934064482099012,2.170472709462827,4.718199782939831,0.3773828491702196,5.189535502824584,0.2700505180527927,18.400020530718525,-1.6033557822393687,-3.5863060521324206,-0.3773828491702196,-4.622418575601126,0.0058825236336392,-18.400020530718525,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.234634477291126,9.95831339076625,10.670226181978837,11.364967903482103,12.03787651391082,12.68524834784228,13.30439422575724,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_35,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.218550002312958,0.9175443902057152,2.2033334372380424,4.078091373751935,5.932243294415872,7.176756359759601,7.833159975427533,8.140204659680547,8.255392744467946,3.404746724010532,0.7192187701967415,0.023446761987645,11.88864491894209,5.707756001005296,7.137169577145991,1.7786328977968766,2.008530170107701,4.413753632372233,0.3957687002239931,5.174679771899647,0.1517296127779397,17.95802485501837,-1.9491568321322303,-4.295342415780853,-0.3957687002239931,-5.115306433924175,-0.1253084773788551,-17.95802485501837,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.6832815723297,10.41403180554462,11.124767934276957,11.811992026758642,12.472727699027176,13.104704687875932,13.70640343429522,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_36,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178266254908452,0.9139154847420548,2.173539027888665,3.916359706487888,5.552091625565125,6.61963103308621,7.1758308725410815,7.434663067956039,7.531562657791438,3.303048680378611,0.7166709969614766,0.023425535475297,11.031096362707144,5.369440832114928,6.629981638310856,1.728260743737352,2.1941075087148803,4.823194281349984,0.4339201087714588,5.665468378886552,0.1627776374316361,19.64893971900358,-2.1450935789997088,-4.72544335062253,-0.4339201087714588,-5.61645444917138,-0.1409664387083847,-19.64893971900358,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.75472012353219,10.478479576583196,11.184463215439536,11.868503381860046,12.527094361934614,13.157570307578508,13.75813046425125,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_37,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2277592381170116,0.9411693265854006,2.210106692935548,4.026955003244104,5.783743514666593,6.942801313184059,7.548717287627237,7.831000487716683,7.936721139615625,3.3788889796189614,0.7413185642240014,0.0241425891949595,11.184031465657018,5.744771111193198,6.446323490066534,1.770008317257313,2.320486039919861,5.05764192077286,0.4164728627369256,5.652268941815265,0.2624451478131876,19.93188745433781,-1.8442425874493964,-4.107059989641814,-0.4164728627369256,-5.176025489344802,-0.0290858561026601,-19.93188745433781,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.25318699382478,9.985930558772337,10.704388957452242,11.403796885188786,12.079965884261746,12.729538036564051,13.350077850178511,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_38,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1024723431978891,0.7242834656650518,2.202819069998584,4.287334319990136,6.1096590972802405,7.236197360450919,7.807085826860483,8.069431880413223,8.167134551310966,3.569154812095825,0.5231493322436667,0.0036909519797575,13.592301644436118,5.917865004958417,8.461813187955363,1.7387752531555165,0.9760593346377489,2.1032980554925285,0.1519811849135645,2.191908813946265,0.1493816822008646,7.919920371460034,-0.5437525144978967,-1.2411269487466148,-0.1519811849135645,-1.7596019938064131,0.0429948527613695,-7.919920371460034,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,7.641847343078285,8.391307750604646,9.140716249224518,9.883884246215242,10.614592291025732,11.327173300483793,12.016874128517244,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_39,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003729021852203,0.7277853174221933,2.1970761908135934,4.107304465224348,5.7022331645548245,6.682828220652809,7.1816188143459465,7.411527705152964,7.4972782571269345,3.465353325188597,0.523199363945519,0.0035151389157969,11.462366989665371,5.582478562902556,6.965507533484381,1.7536233567413084,1.3858204008223252,3.046169253821321,0.2738657602169887,3.576746482558236,0.1031917779590805,12.4064172084514,-1.3528372013475627,-2.980389209948829,-0.2738657602169887,-3.543763283083473,-0.0885142541928113,-12.4064172084514,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,8.246615920204501,8.99011637713919,9.71747022757083,10.429656067542284,11.125405746774334,11.802210944517348,12.457183084203658,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_40,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2363455624517115,0.932090314346868,2.08598234170674,3.826445209603149,5.562322523424559,6.713383262928343,7.314935439643299,7.59500958859627,7.699867028382775,3.194976252156266,0.7451287594458714,0.0241259319517413,10.267389718685283,5.018506280016085,5.897903901509588,1.501890838301383,2.4810564941954234,5.3498269016492666,0.3896488709620898,5.598247461892142,0.373478506863045,20.19825989021891,-1.415432215425474,-3.2245991212844194,-0.3896488709620898,-4.532623183122193,0.1007242971895824,-20.19825989021891,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.27358796003011,9.987188739361851,10.67626720735232,11.341331048848453,11.982074270111028,12.597796172611124,13.18771912451916,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_41,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2362161367041573,0.9308104673329404,2.0435756601931607,3.667036772998897,5.3040796503219605,6.402663987136307,6.980175407999485,7.249744359931466,7.350773594511328,3.077648213531309,0.7446002087213984,0.0241486537028917,9.513838945108027,4.684899648892738,5.553015559815105,1.4603253834461831,2.732377444945928,5.916405662810908,0.4530399370355251,6.356696941230129,0.3664580810593282,22.722685965440142,-1.7980219254093226,-4.052973732423079,-0.4530399370355251,-5.422341421693524,0.049330125134461,-22.722685965440142,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.34174728665426,10.053699808404073,10.74195346569633,11.406658016327569,12.047235528920645,12.66279389491766,13.252432250253332,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_42,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2293293921479761,0.9446073321883168,2.21909235852307,4.095547449433791,5.989934360598435,7.27654705193539,7.958813908299235,8.27869875195939,8.39881741062425,3.4164773352219537,0.7444351748977671,0.024420666302027,11.57040315560318,5.885196175401596,6.640615252413603,1.7938450829173087,2.171637430880112,4.720791983006019,0.3776440073504592,5.192789489683786,0.270081362374202,18.41106730140974,-1.6048026426244808,-3.5894607736246584,-0.3776440073504592,-4.625954701428155,0.0057305572288807,-18.41106730140974,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.232771672443937,9.95664954021916,10.668752658939823,11.363675128650216,12.03675338879524,12.684282408044668,13.30357210129958,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_43,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2185493447722578,0.9175413467027111,2.203519856724329,4.079006299194828,5.934038843187879,7.179137845700017,7.8358413690934015,8.14302375460769,8.258263053926076,3.405363454806692,0.7192121239739662,0.0234484696854412,11.894659590946151,5.710476142828365,7.140097177899176,1.778966482793942,2.009782327293069,4.416551851374291,0.3960606268972741,5.178267342471262,0.1517394602130268,17.970124174410824,-1.9508239416796715,-4.298968195026212,-0.3960606268972741,-5.119308956857865,-0.1255029786150647,-17.970124174410824,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.684129966143749,10.414844051080612,11.125571623074576,11.812806526837685,12.473565157373644,13.105571335323871,13.707300974756066,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_44,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178029298378721,0.9139039340731042,2.1736826195759247,3.916748561620491,5.552614952665609,6.620202905149634,7.176419354804531,7.435257635072622,7.532159259946797,3.3033625631170644,0.7166502136349591,0.0234178676523837,11.03345312756306,5.370175648975359,6.631551398718657,1.7284547571396822,2.194464343276541,4.823970404847573,0.4339826401625631,5.666325464577046,0.1628191824532548,19.651974519633967,-2.1453620583490896,-4.726043262902511,-0.4339826401625631,-5.617223179649596,-0.140968665660539,-19.651974519633967,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.752380299718828,10.476450912606042,11.182710413810964,11.866998144982253,12.525812121279309,13.15648857661536,13.757228154721227,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_45,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2277389589413396,0.9411290983342236,2.2097816170579545,4.026219319061633,5.78292262993978,6.942044217525018,7.548019538884191,7.830335258415336,7.936068805025807,3.378260907103166,0.7412900530898787,0.0241357448334267,11.181512150328926,5.742606215610007,6.445571816182453,1.7695329348252862,2.3206355231868474,5.0579787405685686,0.4165104582576776,5.652719189248268,0.2624394440204319,19.93338678108779,-1.844469059389929,-4.10755047882992,-0.4165104582576776,-5.176552725451351,-0.029117876759942,-19.93338678108779,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.25261452495484,9.985469215637432,10.704033263279612,11.403543106282804,12.079809799148082,12.729474123730638,13.35009924813458,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_46,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1024873722253894,0.7243268712892855,2.202885621117358,4.287575942235826,6.110182289543704,7.236935701142372,7.807942252160355,8.070344329576143,8.16806812917464,3.569315409256737,0.5231887257595398,0.003691861803873,13.595233589352418,5.918512387866632,8.463304542832473,1.7388181218457688,0.9764139964158056,2.104150090705536,0.1521215477577067,2.19338637847746,0.1492763263593333,7.924500937233165,-0.5448014811612619,-1.243363670907636,-0.1521215477577067,-1.7617738632229158,0.0427912429289387,-7.924500937233165,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,7.64142777792641,8.39108232812787,9.140670342983707,9.883998886657018,10.614846629978466,11.327546304815298,12.017345685808122,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_47,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003556401155761,0.7277227661025777,2.197003070794289,4.107430201817648,5.702692193513641,6.683540323537828,7.1824683089491055,7.412441940073235,7.498216829898363,3.46538440221144,0.5231480950595633,0.0035136838821184,11.465343503039698,5.582448885150977,6.967383450018586,1.753427653707243,1.3866079355843977,3.0478951918953365,0.2740164067880938,3.5787391898891485,0.1032597686073808,12.413367813683864,-1.353556132296541,-2.981978328008199,-0.2740164067880938,-3.5456873866012923,-0.0885517161442846,-12.413367813683864,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,8.247320736397818,8.99083281797298,9.718234247131514,10.43048517661048,11.126304692593203,11.803176270892695,12.458206558749367,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_48,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2363390886969016,0.9320729601194636,2.086197057653935,3.8271522306001993,5.563369603917457,6.714595532603499,7.316221772509435,7.596328236074806,7.70119746652983,3.19552114681886,0.7451080248638653,0.024126477686652,10.271268061571837,5.020289466326243,5.89954177848893,1.502182869099912,2.481078384518239,5.349859201416304,0.389637855357711,5.5981812273799285,0.3735089023149082,20.198149029745416,-1.415300169058871,-3.224324417414913,-0.389637855357711,-4.532403011920559,0.1007624035645108,-20.198149029745416,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.27499839203366,9.988514504337102,10.677631503898922,11.342820444446124,11.983743405034351,12.599673308631756,13.189812046214788,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_49,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2361938207642287,0.930760482414923,2.0435847441109423,3.6670946108648494,5.3040867651793,6.4026149177480525,6.980094426459753,7.249648316717377,7.350671903163933,3.077703893801055,0.7445528812722081,0.0241448917232532,9.51426159087349,4.685303446198045,5.55292691867288,1.4604412210404252,2.7315310323087907,5.91457992169325,0.4529063805474363,6.3547820766882825,0.3663318458509685,22.71578277249268,-1.7975327731655737,-4.051860493570974,-0.4529063805474363,-5.4207838175450656,0.0492973794677632,-22.71578277249268,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.34067013142465,10.052787357355596,10.741264524315229,11.40621920544966,12.047052080775476,12.662856992276978,13.252724255024336,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_50,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2293170876744348,0.944612761576348,2.218997369640911,4.094751657024413,5.988264060694356,7.274306194543772,7.9562849079944895,8.276038290035975,8.396108184392371,3.4159780848926844,0.7444339631996368,0.0244154991990612,11.565061131641489,5.882661864853027,6.638270121783288,1.7936102028228047,2.170357341015961,4.7179499225542,0.3773637049359937,5.189266980503911,0.2700340538051063,18.399060803799674,-1.6032797083439756,-3.586134633688907,-0.3773637049359937,-4.622189347831925,0.005879460349911,-18.399060803799674,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.23418961107872,9.957915092644988,10.66986668497682,11.364641406639626,12.03757856011125,12.684975403949574,13.304143407096214,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_51,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2185489219444975,0.9175621261513452,2.203390744659357,4.078149070448038,5.932275387827121,7.1767732694245625,7.833170869708245,8.140213284269821,8.255400610039757,3.4048102943671554,0.7192301943331444,0.0234447402095113,11.888608786199203,5.707782598903704,7.137089135684905,1.7787004980038486,2.008403665339238,4.413476555155798,0.3957446631812383,5.174360970789145,0.1517183876111386,17.95691159032096,-1.9490429664731463,-4.295090545372208,-0.3957446631812383,-5.115000271923053,-0.1253028766157279,-17.95691159032096,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.683688061674474,10.414384649173249,11.125079724449613,11.812272855127846,12.472985335012169,13.104944914324722,13.706630429241812,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_52,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177904871118512,0.9138544786016072,2.1734427831186625,3.916087934140061,5.551529899940749,6.618834198038331,7.174900627386681,7.433668542969197,7.53054373330235,3.302856819832187,0.7166136102508901,0.0234165758213445,11.0296929594938,5.368546815208009,6.629528989655616,1.7281053478469943,2.194359268565187,4.823745236368265,0.4339674970226121,5.666099244746084,0.1628008175941103,19.65114628327818,-2.1453157016609343,-4.725935198712769,-0.4339674970226121,-5.617055677841831,-0.1409764303217178,-19.65114628327818,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.753548606892805,10.47748990532924,11.183632126291077,11.867811538846354,12.5265247840448,13.157107679814755,13.757760873141756,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_53,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2277343793422279,0.9411256727268086,2.209934744153712,4.026388599547468,5.782731344903645,6.941487621665537,7.547245480335339,7.829455017792819,7.935148087699697,3.3784770991003232,0.7412799914859816,0.0241357313111899,11.180813518724957,5.743328260669755,6.444752033498288,1.7697862385900889,2.320428405133897,5.057533893473488,0.4164797184346565,5.6522661526111495,0.2624025098028306,19.931736394362613,-1.844368779212668,-4.107318880134716,-0.4164797184346565,-5.176206526689921,-0.0291332931014285,-19.931736394362613,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.251318691263316,9.984253929446307,10.702881383409638,11.402440368116418,12.078745089454143,12.728439325303924,13.349088832716117,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_54,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1024751151502932,0.7242846880753416,2.2027476904117567,4.2870488166493645,6.109114898141179,7.235474043980492,7.806268284712968,8.0685704651253,8.166256718269699,3.568955324561233,0.5231536709222333,0.0036910829635462,13.590935064043226,5.916957429098416,8.461172200218455,1.7386209142297293,0.9761357303196774,2.103496317871832,0.1520257069366762,2.192341385813087,0.1493321994859884,7.921192790331911,-0.544121339047085,-1.2419084166373366,-0.1520257069366762,-1.7603269945404951,0.0429142046303151,-7.921192790331911,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,7.642127338204053,8.391661036574263,9.141134877017889,9.884358777269306,10.615112668513364,11.327729582720394,12.017457005123331,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_55,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003515530427016,0.7277007640531056,2.1969131890390616,4.10705643381627,5.70187538867424,6.682381582849751,7.181121212399546,7.411005398200939,7.496746547294601,3.4651377858092407,0.5231317600717557,0.0035135279740985,11.461641278264032,5.5815080461645925,6.965402134221643,1.753345286344573,1.3853208513751163,3.045076800722989,0.2737724762931747,3.5755006617205143,0.1031443858122242,12.402053782739078,-1.3524039115566306,-2.979428901795992,-0.2737724762931747,-3.542583721902027,-0.0884963475929978,-12.402053782739078,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,8.247296722546094,8.990864197450419,9.71829682903104,10.430562769122544,11.126386672234078,11.803255883491872,12.458279723629046,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_56,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2363207922957026,0.9320452418298492,2.085986786553827,3.826514717045325,5.562385302005641,6.713419739833752,7.314954308355118,7.595019638580458,7.699873693407865,3.1950321333147604,0.7450849977467517,0.0241209135039261,10.267751643311938,5.018612193844514,5.897993875603343,1.5018889875021744,2.4805417037697457,5.348690600848234,0.3895425397765713,5.596882021982315,0.3734487960964653,20.19355931438016,-1.414883693995968,-3.2233955490559008,-0.3895425397765713,-4.531224012208538,0.1007690182528657,-20.19355931438016,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.27453972126873,9.988075114546294,10.677127871955422,11.342194907070954,11.98296051957666,12.598715880326536,13.188676999602286,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_57,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2362225234048781,0.930787896421864,2.0435258703649595,3.6668026544008847,5.303563386270643,6.40195030348395,6.979359637291844,7.248881616535859,7.349893372571813,3.077499780577907,0.7445840279421104,0.024154741145608,9.511948480322104,4.684370957066028,5.551854159329282,1.4602699615636816,2.731898468936292,5.915385762775519,0.4529772274298274,6.35571628837491,0.3663625172457237,22.719036893278005,-1.7978738053619805,-4.052613674976092,-0.4529772274298274,-5.4216916248006,0.0492784580448449,-22.719036893278005,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0492,9.341398945555913,10.053487288159944,10.741864017033633,11.40667659490424,12.047346629144815,12.66298258495292,13.252684737062454,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_58,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0972487020766324,0.6302027018682912,2.03108402927566,4.281547299761089,6.403803644651472,7.757440629056636,8.451780821178504,8.772403615024988,8.89203644114551,3.478792950446564,0.4555352918149808,0.0047380543213259,13.745342950966966,5.7708704085377605,7.952272459444367,1.410839161154389,5.075358383054084,11.122901421450187,0.5591627803353434,5.283512354478939,0.6713559223606378,21.727265130898427,0.8356371449669827,2.098268919251677,0.0095236558323756,-5.059381188135061,-0.5817034558230869,-1.378955680939672,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0492,10.468197140013933,11.252738130766849,12.01009414700414,12.73738469741398,13.431856513659564,14.091388451553062,14.714680512578356,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_59,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.097244436570615,0.6301846168023795,2.031089752498665,4.281489141995782,6.4034300730633404,7.75675074164239,8.4508989591699,8.771426907578487,8.891023384489957,3.4787888506917715,0.4555206476553563,0.004737663231024,13.74470649154676,5.77052154320566,7.9520152867733715,1.4108471359193606,5.075335759835864,11.122824925015689,0.5592014785329827,5.284519697529894,0.6713751374934586,21.729099821607843,0.834589252090927,2.095968589769231,0.009388906876328,-5.060498539696212,-0.5817666743599859,-1.3835088338267547,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0492,10.46991229652344,11.254201011444254,12.011339522049177,12.738443433376773,13.4327555618773,14.092151130840469,14.715326886954232,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_60,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0972661117934156,0.6302345183249913,2.0310830388476635,4.281461092657263,6.403574125169441,7.757090229752526,8.451360786641745,8.771949837530812,8.891569827762384,3.478744545163649,0.4555680512095093,0.0047398014346177,13.744380183283042,5.7706429805911865,7.951762492224289,1.4108344274779347,5.075743404853436,11.123756385943386,0.5592277064835844,5.284215481937063,0.6713835894980748,21.729403343735427,0.835406210335403,2.097789078333372,0.0094855701544223,-5.06019863312829,-0.5817768499745658,-1.3803663534749295,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0492,10.467897282647664,11.252535510516326,12.009951965485048,12.737277421549358,13.43176708033597,14.091305940854795,14.714598316009749,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_61,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.097256433670731,0.6301979859793999,2.031033604256702,4.28129271790229,6.403050627060592,7.756230128029663,8.450299573625442,8.770789824579694,8.890372031122524,3.478648269530492,0.4555388545669393,0.0047388798328262,13.74309143636598,5.769939102227125,7.951243949198186,1.4106931818589477,5.076350076208353,11.125081293758107,0.5593657136062382,5.286204091134387,0.6714395399167608,21.73441884693576,0.8342652523901177,2.095305527678088,0.009310512250278,-5.062351021101079,-0.5818983119034377,-1.3870545574691882,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0492,10.46976976567339,11.254178450298973,12.011398618213033,12.738556572911843,13.432903051721206,14.092319081433562,14.71550561739476,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_62,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707647797838234,0.403825883929836,1.473689769133336,3.487773243879623,5.518427857053601,6.853867879287312,7.548502192876189,7.871238593234887,7.991965315856263,2.747029889330069,0.2916731329174677,0.0049719506966729,10.919551659177587,3.473956805546279,6.681353846364634,0.6239948276909681,5.936801042038146,12.86000030461679,0.6773250194508633,8.332090909682634,1.0306775663325414,25.90486735023771,-1.8337370798034345,-3.5884157242761128,-0.2454235497419462,-8.332090909682634,-1.0306775663325414,-6.391332571510626,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0492,16.076630954902292,16.7121758369285,17.26777669354762,17.760658209938995,18.20323473326485,18.60442570849008,18.970689371801058,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_63,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707287754939554,0.4019700821770067,1.4906556232481167,3.600092216089493,5.739992268504547,7.147230355178401,7.878942945411716,8.218844108251563,8.34598210822138,2.820967508149212,0.2905853349598385,0.0049665177836379,11.350958871959902,3.659398329376136,7.050299353852408,0.7418186240778164,5.865782960091155,12.747078160467336,0.6418985949859396,7.364221291194228,0.9957614372017106,24.782976764475222,-0.9301930924551224,-1.5942569193535183,-0.1223628194453046,-7.364221291194228,-0.9957614372017106,-1.966172740618336,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0492,15.419602373829688,16.136743724260974,16.759857783932794,17.30925138166271,17.79961900323939,18.241591842896835,18.642933262111043,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_64,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707494761582897,0.4037441372468089,1.4732971169776568,3.487001766059405,5.517466438047889,6.852841929225532,7.547455879130622,7.870185370651472,7.990909891332539,2.7463686403601173,0.2916193558448782,0.0049698871375545,10.915777003723896,3.47184080002088,6.679852632785142,0.6237714494134716,5.936226179069739,12.858753580281473,0.6772229389292098,8.330651212501742,1.030604259786235,25.901932797846605,-1.8330968160674643,-3.5870212155646133,-0.2453145849289702,-8.330651212501742,-1.030604259786235,-6.386880537189693,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0492,16.05175032976006,16.69047869580173,17.248671911284553,17.743683635692193,18.18802769294865,18.590700147859334,18.95821824482371,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_65,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707249297302522,0.4019373776731239,1.4902682046644091,3.599344425847566,5.7391727464731925,7.146439352241868,7.878180180497876,8.218096691409265,8.34524074016151,2.820305478519918,0.2905744659800799,0.0049656890256153,11.348137971322483,3.656916850077724,7.049563965051704,0.7412769285179485,5.864102527428168,12.743364238989182,0.6415879456543457,7.360452699300943,0.9956400389157476,24.775070895438347,-0.9290514935797516,-1.5917605862636088,-0.1221088894597756,-7.360452699300943,-0.9956400389157476,-1.954318333555902,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0492,15.39543895014388,16.115499873990398,16.741071671318924,17.292534073309355,17.7846486249631,18.22810418858407,18.630712024782586,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_66,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707486863169324,0.4037704241226932,1.473664101183626,3.487896441653548,5.518633174904092,6.854085303759224,7.548714440174206,7.871446007028992,7.992170544021205,2.747103266506595,0.2916274704000213,0.0049698032378897,10.920523187350648,3.4742644427438565,6.681667459050567,0.623844620583531,5.936215464103183,12.858639075466812,0.6772687847350014,8.33232886560377,1.0306677558479889,25.90353122504164,-1.834879703302536,-3.590959665972918,-0.2455492309665122,-8.33232886560377,-1.0306677558479889,-6.395099324511344,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0492,16.108892206111303,16.740392420905952,17.292656209062443,17.78275671966593,18.22299381117997,18.622199402511296,18.98676417354923,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_67,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707361904840237,0.402006636237825,1.4905985977412255,3.599835568759545,5.7395901968550485,7.146740111161961,7.878405836008,8.218284711994968,8.34541427473604,2.820775084045937,0.2906167757454366,0.0049673012945175,11.349936970535897,3.658678711094164,7.0498256102548975,0.7416885748721403,5.8660573306885055,12.747730978093433,0.641905768168245,7.363629129521432,0.9957643602153065,24.783193720301234,-0.9292135747065308,-1.59207635881132,-0.1222380043806686,-7.363629129521432,-0.9957643602153065,-1.961838318910737,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0492,15.414544478654468,16.131989008882396,16.7554227732225,17.305130370040754,17.795795457893558,18.23804467902623,18.639640196918364,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_68,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707486493712652,0.4037474510399885,1.4734281718410105,3.487337071702366,5.5179005015483,6.853297803211134,7.547912612250155,7.870640382027511,7.991363934815707,2.7466425987303147,0.2916176552321017,0.0049698190452201,10.917291309950226,3.4726186201150973,6.680361836179341,0.6238369677132419,5.936037562914379,12.858299179390256,0.6772168082282568,8.33109002658919,1.0306094880512269,25.90183531188284,-1.833826274280548,-3.588641362922324,-0.2454050936352219,-8.33109002658919,-1.0306094880512269,-6.389931253338915,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0492,16.066953954890046,16.70386247244695,17.260544119445022,17.754289751301545,18.19756444879156,18.59932620221504,18.96606240384263,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM0492_69,RSM0492.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707173940026505,0.4019149344808979,1.4901045889010314,3.5989541754299488,5.738637731920136,7.145829763806633,7.877534541607313,8.217434607529066,8.344572533378388,2.819985749733693,0.2905590127115103,0.0049645729868959,11.34657216972878,3.655810087856539,7.048801951882647,0.7409450015715148,5.864304945807202,12.743815219016206,0.6415930087913606,7.360299235671442,0.9956731606298396,24.77558750345271,-0.9287159580310436,-1.590995966098359,-0.1220573258675543,-7.360299235671442,-0.9956731606298396,-1.9521742096093149,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0492,15.38283083174246,16.104156138251575,16.730858239261178,17.28332201043256,17.77632003934697,18.220554061922986,18.623848106449792,O=C[C](c1ccncc1)C=O.[Co]rtl.cat0,"linker O=C[C](c1ccncc1)C=O, nodes [Co], topology rtl"
RSM1107_0,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0076937707373643,0.252832493661608,1.2709359602438115,2.9763195836722844,4.61726415314774,5.684377597704442,6.238035241946806,6.495113914922403,6.591263924597846,2.364760880426505,0.1477204262776272,1.498182655232246e-05,7.101696590167145,2.904644051268757,4.079819312007861,0.4655778881902436,18.512342221617235,40.94285113166941,2.07319174594532,7.926808254054682,1.519242235027804,68.56171110808619,-18.512342221617235,-40.94285113166941,-2.07319174594532,6.902123810820209,1.519242235027804,-68.56171110808619,-18.0,-39.8456,-2.0,8.0,1.61,-66.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM1107,20.44752489001836,20.949383593176268,21.351984614149632,21.679394650098697,21.94893834226009,22.1732995381514,22.361912963465304,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_1,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0076993575625778,0.2528923960310592,1.271105357164089,2.97663032621924,4.617662214897412,5.684812080854508,6.238483832571384,6.495568117090647,6.591720084582584,2.3650269786669345,0.1477635103793426,1.501762516392518e-05,7.102713690390385,2.905271092865051,4.080297171950608,0.4656778925537134,18.511420538029466,40.94087721986387,2.073060076861352,7.926939923138647,1.5194055046919237,68.55710269014732,-18.511420538029466,-40.94087721986387,-2.073060076861352,6.904098847079722,1.5194055046919237,-68.55710269014732,-18.0,-39.8456,-2.0,8.0,1.61,-66.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM1107,20.44556101930301,20.947691571373163,21.35051671147029,21.678112574041545,21.947811308552367,22.17230270409609,22.36102618247345,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_2,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0077012377632112,0.2529325632675461,1.2712012431887147,2.976748174548773,4.617812044483867,5.684993217667442,6.238683941218558,6.49577758022876,6.591933128571206,2.365137600138005,0.1477901996487769,1.5018362118684028e-05,7.1031092812949606,2.9055386666485314,4.080488409490221,0.4657675760049188,18.511681596409726,40.94143631218751,2.073097370915676,7.926902629084325,1.5193592600645622,68.55840798204864,-18.511681596409726,-40.94143631218751,-2.073097370915676,6.903539436264867,1.5193592600645622,-68.55840798204864,-18.0,-39.8456,-2.0,8.0,1.61,-66.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM1107,20.445314670800244,20.947494475154848,21.350356247062614,21.677979858011152,21.94769998257806,22.172208138512733,22.36094494916352,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_3,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0076936148709712,0.2528303762500825,1.2709415482230484,2.976348638616664,4.617308021514779,5.684425896981633,6.238084366667236,6.495163105603513,6.591313090200687,2.364782011457476,0.1477187904407499,1.4981386082979083e-05,7.101819420201383,2.9046898961604346,4.079889491226609,0.4655872739182013,18.5120894312496,40.94230974642872,2.073155633035656,7.926844366964345,1.519287015035787,68.56044715624796,-18.5120894312496,-40.94230974642872,-2.073155633035656,6.902665504465163,1.519287015035787,-68.56044715624796,-18.0,-39.8456,-2.0,8.0,1.61,-66.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM1107,20.44808083933175,20.94985614830044,21.35239029783341,21.6797461436203,21.9492454570703,22.17356993951118,22.36215270170833,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_4,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0077011710646153,0.2529111785162403,1.271141559036993,2.9766586080436634,4.617667728955659,5.684799344122804,6.238461035760406,6.495540551997319,6.591690722769906,2.3650608197167022,0.1477772785936906,1.502930923493216e-05,7.102567465521759,2.905355777229081,4.080135891349379,0.4656970006323147,18.511134831003297,40.94026533908466,2.0730192615719,7.9269807384280995,1.519456115650844,68.55567415501649,-18.511134831003297,-40.94026533908466,-2.0730192615719,6.9047110764215,1.519456115650844,-68.55567415501649,-18.0,-39.8456,-2.0,8.0,1.61,-66.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM1107,20.44479403666721,20.94703693700108,21.34995247844135,21.67762189681341,21.94738112650852,22.17192278049734,22.36068840618828,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_5,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0076986071102042,0.2528882129621197,1.2711042297304485,2.9766578158867034,4.617741970602551,5.684934229987002,6.23862970903564,6.49572532364257,6.591881573699067,2.365040696990476,0.1477599127584297,1.50109309116484e-05,7.1029082800819285,2.9052967701994263,4.080443240297027,0.4656925374091773,18.51137664393648,40.940783214644,2.0730538062766404,7.92694619372336,1.519413280216966,68.55688321968242,-18.51137664393648,-40.940783214644,-2.0730538062766404,6.904192905850395,1.519413280216966,-68.55688321968242,-18.0,-39.8456,-2.0,8.0,1.61,-66.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM1107,20.445402500330943,20.94756661312548,21.35041629554389,21.67803046979541,21.94774312989116,22.17224530480389,22.36097726422424,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_6,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411594767065131,0.4818459110408383,1.2215927963921558,2.3154653223401414,3.2994248414245755,3.919715380842835,4.237367361690191,4.384054252910349,4.438795180835439,1.9344981840503568,0.3834632622605487,0.0202718610720117,6.44758995316721,1.2724121148929577,4.444289360421855,0.0941121055339272,2.709755848635439,5.807138877780905,0.3899897485094788,5.8106492044812965,0.4722868512508362,13.75775063143108,2.709755848635439,5.807138877780905,0.3899897485094788,5.8106492044812965,0.4719516553496414,13.75775063143108,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.4373972666252146,4.090890905685825,4.76756444227926,5.450077199738273,6.124784886596084,6.781808539909939,7.414617928917599,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_7,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411976552463973,0.4818940058596241,1.2216133920108971,2.315481318236817,3.2994762993937283,3.919802739170539,4.237476104113869,4.384173447189688,4.438918361628923,1.9345097928079689,0.3835131318281684,0.0202827957530421,6.447786677020634,1.2723747365740428,4.444505242558931,0.0941027862049086,2.709428000053076,5.8064708482325225,0.3899711572051022,5.810061612835439,0.4721622579277696,13.75813077356166,2.709428000053076,5.8064708482325225,0.3899711572051022,5.810061612835439,0.4718251060897872,13.75813077356166,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.437839071953518,4.091155088373855,4.767614222181796,5.449898338367785,6.124381101099691,6.78119595473868,7.413820027968595,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_8,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411470227042376,0.4818259666265055,1.2215568911954298,2.3154280283471604,3.2994168647474265,3.919737579966375,4.237407728246344,4.384103541611043,4.438847879247407,1.934457093004022,0.3834450707396579,0.0202682970355473,6.447630185659586,1.2723512755578468,4.444452131221123,0.094121014746403,2.7099709157687792,5.807564629032487,0.3899957356993098,5.811120260775972,0.4723967470520251,13.757015126045804,2.7099709157687792,5.807564629032487,0.3899957356993098,5.811120260775972,0.472065217527392,13.757015126045804,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.4411592904956736,4.095072345716928,4.772055774025912,5.454776923138134,6.129604834920826,6.786675550408735,7.41947341932062,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_9,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412189207809965,0.4819533560420493,1.2217710409659563,2.315750999209891,3.299847896186879,3.920242437526357,4.237951618284788,4.384665673114694,4.4394168487232495,1.934741567868949,0.3835589549319786,0.0202886829774202,6.448533207275568,1.2726813780847843,4.444917637415003,0.0941596869668762,2.709781569321629,5.807222267897796,0.3900163668090987,5.810784272099951,0.4722357337098118,13.759524775436182,2.709781569321629,5.807222267897796,0.3900163668090987,5.810784272099951,0.4718987124847189,13.759524775436182,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.437492735991727,4.091000552578064,4.767686589730015,5.450209089063748,6.1249234536192825,6.78195088793326,7.414761563159478,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_10,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412077143606936,0.4819155680179265,1.2216403011969132,2.3154303203455915,3.299273186271273,3.9194763738932736,4.237080898678884,4.383745400887455,4.438477906783246,1.934498287633152,0.3835316020330794,0.0202855911801949,6.447695675670255,1.2723609731609264,4.44443652939013,0.0941019100272779,2.7094316702101224,5.806447477891095,0.3899493815644432,5.810074625491947,0.4722271395051974,13.75651820502564,2.7094316702101224,5.806447477891095,0.3899493815644432,5.810074625491947,0.4718932216015557,13.75651820502564,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.4379541905804527,4.0913042845037015,4.7677914678658295,5.450097124473321,6.124595210727021,6.781419894719637,7.414049201867857,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_11,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141171880542084,0.4818547016152368,1.2215739557531435,2.315418868170396,3.2993661763877524,3.919654452244885,4.237306761165102,4.383994126550604,4.4387352823632895,1.9344595571360177,0.3834752962254167,0.020275487217622,6.447542943922262,1.272328291049435,4.444327803648633,0.094094670497321,2.709904870999709,5.807367260520371,0.3899427377800104,5.810875528401688,0.4724966893521253,13.753542049540508,2.709904870999709,5.807367260520371,0.3899427377800104,5.810875528401688,0.4721694817049777,13.753542049540508,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.441326563789175,4.095288971897357,4.772316078861089,5.455073350693081,6.129929280998843,6.787020244003587,7.419831411507581,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_12,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411611074835699,0.4818318650840881,1.221516287738185,2.315323783887206,3.2992548963255475,3.9195391930528136,4.23719084732798,4.383878174244853,4.438619354803341,1.9343749485014567,0.383456397690217,0.0202724441549299,6.446990381627176,1.2721847872439978,4.443959430005681,0.0940752935427418,2.7094011754604224,5.80636254780408,0.389928648310199,5.809939232310297,0.4722598909503908,13.755196125223902,2.7094011754604224,5.80636254780408,0.389928648310199,5.809939232310297,0.4719270472378319,13.755196125223902,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.441100887217365,4.0950117146469776,4.771993808063187,5.454714149032179,6.129541614100569,6.786612183757084,7.419410189457595,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_13,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412142459775371,0.4819298681137083,1.2216931769935642,2.3156071265185973,3.2996284247733456,3.919965865551241,4.237643465631987,4.384342474359411,4.439087965516895,1.9346218784752405,0.3835430530933255,0.0202874519590048,6.448230039132164,1.2725485774329357,4.444801036849029,0.0941486914166791,2.70979204112157,5.807198131053713,0.3899826262649026,5.81075282094269,0.472331505923138,13.75702372066794,2.70979204112157,5.807198131053713,0.3899826262649026,5.81075282094269,0.4719985018655048,13.75702372066794,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.437600289683592,4.091110950629517,4.767798000056715,5.4503207094421535,6.125034961472823,6.782062120894047,7.414872367313926,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_14,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411765933539565,0.4818691212636953,1.2216239287944592,2.315522360259976,3.29952021772083,3.919840756821016,4.237509435119929,4.384204294651425,4.438948234597733,1.9345441238547048,0.3834859329081723,0.0202767940439394,6.447867217483401,1.272491646419874,4.44452205599156,0.0941393723918615,2.709360337156191,5.806309568064856,0.3899496286644552,5.809913963720653,0.4721837806669002,13.756926950350408,2.709360337156191,5.806309568064856,0.3899496286644552,5.809913963720653,0.4718482540469985,13.756926950350408,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.4377372926801777,4.091045638674742,4.767498718101836,5.44977856922668,6.124258794976363,6.78107265124374,7.41369702500921,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_15,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411861093990691,0.4818847499679728,1.2216251534932587,2.3154211824694744,3.2992371380633414,3.91941145711294,4.236998565019052,4.383654523232693,4.438383766436396,1.934491591403872,0.3835009484648936,0.0202794531241881,6.447935468447386,1.2723818105279283,4.444644005600601,0.0941041583871566,2.7097061146849977,5.806969042837728,0.3899372090142959,5.8105462779440815,0.4724080726942668,13.754181679996782,2.7097061146849977,5.806969042837728,0.3899372090142959,5.8105462779440815,0.4720793451572927,13.754181679996782,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.44125907034004,4.09520306799806,4.772211412646104,5.454950992965012,6.129791253407486,6.7868690776042016,7.41966980238524,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_16,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412321979529503,0.4819482862648765,1.2217060543847211,2.3156690317390067,3.2997946851570745,3.92021959047155,4.237946781129555,4.384669604444819,4.439424118276714,1.9346579760233995,0.383563311119431,0.0202926835866567,6.448129024171468,1.2725509617228536,4.444635695551274,0.0941266564088859,2.709805796779569,5.80724687259454,0.3899986008956581,5.810786594701388,0.4722945103299571,13.758114225176673,2.709805796779569,5.80724687259454,0.3899986008956581,5.810786594701388,0.4719596073099535,13.758114225176673,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.437700953570661,4.091246719091315,4.76796755634937,5.450520010068915,6.125258657819898,6.782304551277616,7.415128159623263,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_17,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412223285554121,0.4819399572852557,1.2217091004996334,2.315640010700941,3.2996996569530768,3.920072465669129,4.237770955079329,4.3844801657440815,4.439229548134561,1.9346462770754689,0.383552819823791,0.020289827076286,6.448143618243953,1.2725649579275804,4.444682582269399,0.0941446074854721,2.7094981680497563,5.806640900679882,0.3899968708017733,5.810257246367965,0.4721354685542361,13.75961045419763,2.7094981680497563,5.806640900679882,0.3899968708017733,5.810257246367965,0.4717969029068308,13.75961045419763,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.4377538602671343,4.091080241058855,4.767549834640899,5.449843498904193,6.124334439973314,6.781156006003139,7.413785429949909,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_18,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.14123774367741,0.4819572197163881,1.2217145050424516,2.3156227875645965,3.2996371017771726,3.9199689993872657,4.237643413586823,4.384340871765333,4.439085771461554,1.9346396864747968,0.3835715113055782,0.0202942706425886,6.447976478179646,1.27256896694207,4.444548317783436,0.0941521095193771,2.709707993067708,5.807045357256556,0.3899906603569253,5.810586809090643,0.4722611788685008,13.758062056534792,2.709707993067708,5.807045357256556,0.3899906603569253,5.810586809090643,0.471925598262405,13.758062056534792,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.437474716982837,4.090968071287713,4.767640419542243,5.450151221793772,6.124856368088941,6.781877076890504,7.414683276608419,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_19,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141250982984415,0.481972309600416,1.221699726322638,2.315577203225215,3.299581595187651,3.9199138231685935,4.237590037764093,4.3842886653078015,4.439034053705178,1.934602163047376,0.3835885515682649,0.0202980284707701,6.448046896758569,1.272461563059166,4.444644352932583,0.0941103228344792,2.709529545669584,5.806679303655304,0.3899793160667637,5.810283543550775,0.4721988796680335,13.758173169907606,2.709529545669584,5.806679303655304,0.3899793160667637,5.810283543550775,0.471862698889863,13.758173169907606,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.43775486344133,4.091067798790069,4.767525216655621,5.449808853944903,6.124292178065121,6.78110842045209,7.413734509483519,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_20,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412356935887018,0.4819576678215121,1.221724605712105,2.3156333273836864,3.299640060230318,3.919966699661929,4.237638730217656,4.384335196237212,4.439079745529819,1.934651701894978,0.3835706066804555,0.020293655346821,6.448386316363075,1.2725705902086295,4.444869227054066,0.0941312048148938,2.7099732910478824,5.807577228949381,0.3900019918917277,5.811141216291722,0.4723822299398986,13.75745317142534,2.7099732910478824,5.807577228949381,0.3900019918917277,5.811141216291722,0.4720501459561227,13.75745317142534,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.441112622330582,4.095025700478946,4.772010018302377,5.454732663817856,6.129562462396075,6.786635287142051,7.419435364399252,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_21,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411654721517816,0.4818726418987544,1.2216877054556483,2.315709318236616,3.299882820481378,3.9203389575122,4.238082508892415,4.38481295977336,4.439570330662964,1.9346795184115413,0.3834818164008851,0.020273451149405,6.448399106210105,1.2726330740561702,4.44482745147727,0.0941492186385741,2.7097116438929474,5.807083600221207,0.3900134576497165,5.810606696576989,0.4721997655421136,13.759702904973016,2.7097116438929474,5.807083600221207,0.3900134576497165,5.810606696576989,0.4718612576778248,13.759702904973016,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.437434115778306,4.09094159816328,4.767628597212719,5.450152934823282,6.12486968603789,6.781899813027946,7.414713315334366,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_22,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412075016120059,0.4819116756953474,1.221634659291506,2.3154193025746856,3.299247430177896,3.9194378775512826,4.2370351893533655,4.383696239853817,4.438427440539273,1.934490521764733,0.3835288068507415,0.0202855909370381,6.447650876622776,1.2723791649290446,4.44439503967973,0.0941105985308376,2.7094336024178096,5.806434930968713,0.3899359203001348,5.810025046164508,0.4722601010203874,13.75554485412206,2.7094336024178096,5.806434930968713,0.3899359203001348,5.810025046164508,0.4719271729298103,13.75554485412206,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.4379462818626507,4.091299354844153,4.767788517314093,5.4500954635472985,6.12459437148726,6.781419562888212,7.4140491682767635,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_23,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412378725310681,0.4819572349784403,1.2217078516113176,2.315588248393981,3.299568700778034,3.9198791830887454,4.237543171184512,4.384235985768899,4.438979183101627,1.9346167325699164,0.383571659791622,0.0202943066728088,6.448052429735389,1.2724879435408778,4.444661147851088,0.0941283471777439,2.7097793388181883,5.807126836452984,0.3899469147169104,5.810658108230048,0.4724176908489542,13.754509830692188,2.7097793388181883,5.807126836452984,0.3899469147169104,5.810658108230048,0.4720882754737319,13.754509830692188,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.4412913316869846,4.095247101829282,4.772269644589995,5.455024012353782,6.129878330870671,6.786968666248214,7.41977994127829,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_24,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141262740275035,0.4819844489396734,1.2216824564372692,2.3154957549215114,3.299420523129399,3.9196943969724978,4.237338954505622,4.384022633044566,4.43876239449268,1.9345461061861275,0.3836026700033011,0.0203014006335941,6.4477147131869215,1.272332579938591,4.444438491831757,0.0940823116906316,2.70940228322319,5.806352582317313,0.389919332514251,5.809923069463679,0.4722848444041189,13.75451666897629,2.70940228322319,5.806352582317313,0.389919332514251,5.809923069463679,0.4719530094834903,13.75451666897629,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.4411747724380923,4.09509080883864,4.77207570107897,5.45479701369847,6.129624108975546,6.78669334920919,7.419489357017619,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_25,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412370630836747,0.4819617465405932,1.22172281373964,2.3156061158768235,3.2995731523142924,3.919868119640917,4.237522390714956,4.384210356181254,4.438951688442325,1.934635644014372,0.3835742265418101,0.0202939947584205,6.448219207108342,1.2725289542554463,4.444746210886141,0.0941203986725919,2.709771220411552,5.8071480103608,0.3899756371583241,5.810707077464693,0.4723391304994968,13.756626781011008,2.709771220411552,5.8071480103608,0.3899756371583241,5.810707077464693,0.4720066724576407,13.756626781011008,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.437519912323358,4.091025723044694,4.767709700444226,5.450230963040035,6.124945144589535,6.781973332488673,7.414785441070447,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_26,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141164048012217,0.481850918871877,1.2216043082484744,2.315501466905669,3.299496017920617,3.919813226500234,4.237479845577253,4.384173677215253,4.438917221422543,1.934523883486588,0.3834683727779042,0.0202732030775915,6.447914553941752,1.2724539679266238,4.444557343748684,0.0941176268309522,2.709304661752145,5.8061800188321655,0.3899333229264748,5.80976575067679,0.4721942085944902,13.756049484468578,2.709304661752145,5.8061800188321655,0.3899333229264748,5.80976575067679,0.4718593498820975,13.756049484468578,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.4377761414729204,4.09108878118071,4.767545332163373,5.449827774726387,6.124309752973557,6.7811246160360925,7.413749364674336,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_27,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412211251505749,0.48191689878464,1.2215947146091155,2.315327188008576,3.2991074435563705,3.919265361491449,4.23684536929398,4.3834982987304745,4.438226449097929,1.934416055591016,0.3835396001508537,0.0202895981497299,6.447428188605719,1.2722195784944614,4.444317471821546,0.0940754842145988,2.7095297981609794,5.806582066993826,0.3899046672207175,5.810149461432571,0.4723954931867191,13.75277016207168,2.7095297981609794,5.806582066993826,0.3899046672207175,5.810149461432571,0.4720674674932508,13.75277016207168,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.4412291086627183,4.095168873755402,4.772173396507658,5.454909802771961,6.129747627715664,6.7868237484312255,7.419623438881806,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_28,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412327486320892,0.4819652088663853,1.2217598889712722,2.315719568065131,3.2997965608494644,3.9201764386004,4.237877633623122,4.384587918613538,4.439337676119778,1.9347168549712976,0.3835737773028037,0.0202926841249346,6.448504889208159,1.2726132349367212,4.444906540108844,0.094130647506789,2.709856799497267,5.8073472906389565,0.3899990699008974,5.810881065862817,0.4723211782293018,13.757876911897108,2.709856799497267,5.8073472906389565,0.3899990699008974,5.810881065862817,0.4719869749744732,13.757876911897108,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.437706035522404,4.091257847807686,4.767983277344557,5.450539174992247,6.1252803638831965,6.782328086651483,7.4151529604617155,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_29,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412221260815284,0.4819350402851008,1.2216949075246732,2.315608600944178,3.2996458028857214,3.92000244759768,4.237692312700883,4.384397486115983,4.439145354610597,1.9346219315285835,0.3835495789944043,0.0202898268623637,6.447933795862495,1.2725385730094438,4.444530438522258,0.094145374176183,2.709401898786912,5.806455522269364,0.3900006964818195,5.810132058794626,0.4720781851811853,13.760382273829707,2.709401898786912,5.806455522269364,0.3900006964818195,5.810132058794626,0.4717385707819789,13.760382273829707,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1107,3.4377947533507403,4.091118197931775,4.767585187573319,5.449876494415626,6.124365277580834,6.781184858231421,7.41381245177549,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_30,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217879823181883,0.9128336276287888,2.131676921395897,3.6264299564523497,4.845217194758124,5.571792793889756,5.933576997432989,6.098511101349702,6.15973165716719,3.126970709110037,0.7163094503095562,0.0234124232620017,9.086507927754525,4.773208666428785,5.532591164082001,1.6667967334134814,2.194837528218431,4.757103434745735,0.3684049721567284,5.142077305472257,0.2859433772633358,18.34228708422672,-1.4892121933488534,-3.3498395481485943,-0.3684049721567284,-4.436451970602679,0.0280598967536261,-18.34228708422672,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.71122718465168,10.480307269151789,11.223043732903063,11.936453617256868,12.618396855867609,13.267460270246216,13.88288692756999,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_31,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179163225580866,0.9128750493767832,2.1316782991728105,3.626385406663727,4.845150467196571,5.571719728209469,5.933502647034273,6.098436570387073,6.159657123137278,3.126939413154754,0.7163539549269023,0.0234232564993201,9.086482945211497,4.773188365688989,5.532696688442031,1.66681987726583,2.21367607682981,4.796744281358677,0.370412893699523,5.176979226425996,0.2905616785026595,18.47663825813952,-1.490452860165421,-3.3543840592040524,-0.370412893699523,-4.453756009761606,0.0312726529129936,-18.47663825813952,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.710655214779026,10.47979912702904,11.22259323156972,11.936051763804876,12.61803427840477,13.26712849296308,13.882578888976605,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_32,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217891134682347,0.9128829668119663,2.1317168666168724,3.626429855147872,4.845196468715985,5.571767785116525,5.933552238928183,6.098486989965268,6.159707871228907,3.1269831164299484,0.7163521485352659,0.0234108339534593,9.086660401337287,4.773276426528116,5.5328110855892,1.666854064804782,2.201269711039397,4.770018228321316,0.3684891321227654,5.149182768021522,0.2886478986823465,18.3761311976523,-1.4836216101882576,-3.3387767383888445,-0.3684891321227654,-4.431534667170381,0.0307055061964109,-18.3761311976523,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.70978066056793,10.478969929177836,11.221815596407586,11.935329243955778,12.617368200166007,13.26651841670227,13.882023055172311,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_33,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179561293470865,0.9129645974773216,2.131810826546347,3.626546015390495,4.845321172549935,5.571894295509028,5.933679076678169,6.098613890085106,6.159834783406903,3.1270931404692224,0.7164335645713076,0.0234306891182648,9.086937314667514,4.773655082764657,5.532816680498914,1.6670267324512305,2.186186464349347,4.738201891829887,0.3668062546966233,5.120636501922333,0.2850912490792907,18.2670574156792,-1.4818760826168862,-3.333560482021753,-0.3668062546966233,-4.416326120189873,0.0283268707916545,-18.2670574156792,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.711646143245863,10.48070979584085,11.223429384058557,11.936821722976172,12.618746864723532,13.267791906808917,13.883200229846729,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_34,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179309597557454,0.9129028362237378,2.131691697046824,3.626374634201574,4.845124378018868,5.571683386063087,5.93346020972684,6.098391062387672,6.159610423745138,3.126935772266641,0.7163804167361036,0.0234264251799441,9.086293916310147,4.773175926709621,5.5325799748470805,1.6668365790403987,2.2124089676341887,4.794206416824244,0.3704024133839637,5.175628274705899,0.2900174655022816,18.47009310585021,-1.4916151662054495,-3.356691298944838,-0.3704024133839637,-4.45483447327716,0.0307357761335072,-18.47009310585021,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.710552463862598,10.479741189606314,11.222570908367077,11.9360572374103,12.618061043997246,13.267171240208956,13.882633351833508,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_35,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178894762568198,0.912848938477995,2.131684171567277,3.6264190475102303,4.845198662825939,5.571774956865526,5.933561218295881,6.098496661395099,6.159717779720629,3.126965314494377,0.7163238994523651,0.0234156526738383,9.08663789856154,4.773228019618011,5.5327539466230125,1.6668012222773576,2.206088747145221,4.77967180765896,0.3685305814588488,5.1543333988160125,0.2907146522442816,18.401055364903083,-1.4792170674432674,-3.330035273245369,-0.3685305814588488,-4.427461719114059,0.0327432452230877,-18.401055364903083,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.709662103576376,10.47888736770192,11.221763228965417,11.93530133685269,12.617359566939522,13.266524613917364,13.8820404108177,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_36,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178811893003913,0.9128288158771436,2.131613131159001,3.626290308715253,4.845035700572538,5.571595433353545,5.933374200353765,6.098306360176554,6.1595262788615575,3.12685373509824,0.7163087770262901,0.023412938243549,9.0858953523142,4.772877262836377,5.532284281246397,1.6666852615602563,2.196374535679287,4.760416251046159,0.3686450139321374,5.145534647136386,0.2861772672545251,18.354772957039184,-1.4900756036420866,-3.351808975937769,-0.3686450139321374,-4.439235715099185,0.0281257575020292,-18.354772957039184,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.70992018984269,10.479117122899462,11.22196896431617,11.935487222358285,12.617529277634173,13.266681199864186,13.88218630119582,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_37,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179411994061507,0.9129230356279736,2.131737955234997,3.626444503829921,4.845203635843398,5.571767767203445,5.933547738083631,6.0984802340526825,6.159700243884488,3.126999741244433,0.7163978394034471,0.0234287234766061,9.086692411699152,4.773394747002087,5.532784935164186,1.6669369819032631,2.2006943431186903,4.767545141322644,0.3672034006691334,5.138321548471757,0.2908026064331919,18.34753972897612,-1.4713396635726437,-3.312956636169986,-0.3672034006691334,-4.408966868925711,0.0337602259647987,-18.34753972897612,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.71132577448525,10.480386684600624,11.223102683176622,11.936492396765532,12.618416697689486,13.267462921075571,13.88287436789121,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_38,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178879256344753,0.9128345146546466,2.1316727326840983,3.6264188415324674,4.845198698117464,5.571770079473326,5.933552406662991,6.098485722171321,6.159705997207485,3.126962296015787,0.7163119339282563,0.0234166660473885,9.08666780200571,4.773205614750069,5.532775487259476,1.6668216992053553,2.217276486409228,4.803255995399949,0.3697642454774495,5.175390450228824,0.2933800761818885,18.48166734159513,-1.480365968365267,-3.333598503738976,-0.3697642454774495,-4.438479932184863,0.0345451043476741,-18.48166734159513,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.7104492600145,10.479601705734163,11.222402660309935,11.935867203307314,12.617855368486303,13.266955127864325,13.882411081954428,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_39,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179173669497362,0.9129136096794838,2.131773129563486,3.6264991669451887,4.845254181085643,5.571808074205643,5.933580628913162,6.098509207717652,6.159727676213069,3.1270513334307286,0.7163805888694365,0.023420928917341,9.08689735271437,4.773508386472617,5.532911511090568,1.6669620820545248,2.195697554833342,4.758791449526547,0.3683786103380876,5.142726437538042,0.2863755175169229,18.346059980928462,-1.4880885485475333,-3.3475714278404456,-0.3683786103380876,-4.435117431252234,0.0285104902802618,-18.346059980928462,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.709633889979877,10.478875146769775,11.221764061891232,11.935312860279298,12.617379842918412,13.266552025701143,13.882073592498337,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_40,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179309861730754,0.912870417122002,2.1316844254515126,3.626425531602095,4.845217485330569,5.571805230896111,5.9335987701098745,6.0985379285124885,6.159760492690796,3.126968429585427,0.7163532780679245,0.0234314638601445,9.086631294875769,4.7732894511039134,5.532678383628077,1.6668455976684553,2.1948879264203955,4.755870703246909,0.3671118293618815,5.131782561315448,0.2883904472035482,18.316676219339605,-1.4762303671984192,-3.3226160000125606,-0.3671118293618815,-4.413125002093472,0.0314121666502313,-18.316676219339605,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.711684272543676,10.48073966553762,11.223451645346351,11.936837077547889,12.618756023725446,13.267795572564037,13.883199083870425,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_41,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179335543744057,0.9128931732853846,2.1316943542296176,3.626386709840831,4.84513421604219,5.571694195811072,5.933473409394168,6.098405903543791,6.159625971057652,3.126947069301308,0.7163721798789824,0.0234297227491172,9.086246036971945,4.773201883754195,5.532480034362692,1.6668500133147317,2.210795967347766,4.789358828932911,0.3688207596947593,5.161362044905841,0.292265281042082,18.430395030634013,-1.477411629599827,-3.326733774945309,-0.3688207596947593,-4.427977707157902,0.0340907492557508,-18.430395030634013,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.710698610399188,10.479855671833835,11.222658762595112,11.936123015185178,12.618108700730964,13.26720413505222,13.88265429773312,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_42,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179248906845267,0.9128508032204296,2.131640599260578,3.626334317490605,4.845081877957021,5.571638881210577,5.933415395128919,6.098346352769109,6.159565798781464,3.126893871126135,0.7163358565158886,0.0234321830353522,9.086028099688908,4.773062052246023,5.532319746042909,1.6667964849097203,2.204382061935158,4.776633182268867,0.3688847024262461,5.155459681345127,0.2892912005119338,18.399604358200715,-1.4844649623273034,-3.340866514665941,-0.3688847024262461,-4.435542581737273,0.0310719088135617,-18.399604358200715,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.711332544891995,10.480398567313069,11.223121127150907,11.936517729331888,12.618448627520142,13.267500832490764,13.882917494782795,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_43,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179549938032914,0.9129052217098924,2.1316792453722826,3.626363802703894,4.845115209272134,5.571677672716443,5.93345760654826,6.098390264465593,6.159610363311539,3.126924360046386,0.7163892714349795,0.0234372723592627,9.086310874637912,4.773200590025448,5.532551504726812,1.6668480596633333,2.204406099781137,4.777419959229754,0.3696013172823187,5.161216638039688,0.2879582444982583,18.41405684455206,-1.4916070730420503,-3.355849220252657,-0.3696013172823187,-4.4484176113006,0.0292373224006354,-18.41405684455206,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.710559315468116,10.479711484097129,11.222512711102834,11.935977713735934,12.617966245011862,13.267066086797758,13.882521731113147,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_44,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179397406412924,0.91290287351587,2.131744213228353,3.6264772860543766,4.845237756521917,5.571797905418913,5.933575357771446,6.098506668939091,6.159726238627681,3.1270271261181524,0.716378874814299,0.0234328258045105,9.086784438027962,4.773478650741788,5.532772550126503,1.6669486570473506,2.200091539401215,4.767527328902579,0.368352166611155,5.146908872290455,0.288380422637625,18.36750102922917,-1.4834301267103347,-3.338253640502523,-0.368352166611155,-4.430247459599575,0.0305339060098167,-18.36750102922917,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.70976122407665,10.478946416207062,11.221787188842848,11.935295878366304,12.617330247761714,13.266476474434487,13.881977812603004,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_45,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179032436294498,0.91290455639258,2.1317983414300627,3.626582600294623,4.845393090047414,5.571988052717209,5.933784299759284,6.09872450653856,6.159947430635448,3.1271146072520533,0.7163688397901447,0.0234154575024014,9.08722547369704,4.773660783989794,5.5329911603343485,1.6669907367882977,2.191838502102549,4.7501554841169,0.3674672092886391,5.131576176411662,0.2863671160194363,18.30853669628553,-1.4828335907838406,-3.336151539228433,-0.3674672092886391,-4.422571265092953,0.0291400695173892,-18.30853669628553,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.71167112353042,10.4807327650025,11.223449931374075,11.936839859181122,12.61876278845776,13.267805881223063,13.8832125218932,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_46,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179130892616785,0.912855431620614,2.1316530211474083,3.626360793261752,4.845124985956404,5.571689544384534,5.933468294704784,6.098399844181326,6.159619435488395,3.12691422513678,0.7163370628076637,0.0234250558520649,9.086361949997144,4.773098961721721,5.532619864392171,1.6667976089388512,2.2180509487752897,4.805586627723445,0.3705266855156056,5.182264432900135,0.2922951368632432,18.50078845418856,-1.487215906380767,-3.348045760923928,-0.3705266855156056,-4.451429390505612,0.0329264570023195,-18.50078845418856,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.710275685834011,10.479479390160328,11.22232162058217,11.935818901637592,12.61783266577879,13.26695216972549,13.882423142514282,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_47,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179468250818834,0.9129190115223004,2.13172989663519,3.6264099764221314,4.845144609818598,5.571698081234071,5.933474493866127,6.09840581117021,6.15962545781199,3.126975607931551,0.716394354822999,0.023433999962387,9.086353447718253,4.773328057700554,5.532544210149291,1.6669177023962014,2.200121471466816,4.767908520145868,0.3686639930999932,5.1494334162667625,0.2878090677402456,18.373887219333945,-1.4865184595331165,-3.344734353295894,-0.3686639930999932,-4.435830404333062,0.0297442725702506,-18.373887219333945,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.70989967506126,10.47910175552028,11.221956300918023,11.935475017609408,12.61751575257342,13.266665114077597,13.882166913052464,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_48,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179648717585758,0.9129153200321756,2.131664814662701,3.6262930348661184,4.844988968009942,5.5715172739144165,5.933280232320104,6.098205185238329,6.159422431117895,3.126874521336177,0.7164005960157592,0.0234404953068016,9.08565864040297,4.773077469441129,5.5321139889856585,1.6668148415174515,2.212284591028881,4.792275933400019,0.3687705834876182,5.162449258929827,0.2930217989685679,18.43683462489677,-1.475421243847301,-3.322712516948434,-0.3687705834876182,-4.425585911748247,0.0348823905272354,-18.43683462489677,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.709830286285824,10.479039842466491,11.221903534789847,11.93543249488525,12.617483997303184,13.26664414117256,13.882156330905111,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_49,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179538127187181,0.912931844369474,2.1317536576252745,3.62647575155487,4.845241213793345,5.571805450456372,5.93358441680624,6.09851622092087,6.159735936690766,3.1270264151616955,0.7164076495983998,0.023434172291111,9.086732475824268,4.773492090702741,5.532728182500691,1.666936824077733,2.2000835015711275,4.766314422294581,0.3671912890623796,5.137613814070164,0.2905534912071899,18.34424328910323,-1.471829389052668,-3.313920832993393,-0.3671912890623796,-4.409359701551704,0.0335195888635244,-18.34424328910323,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.711336932502794,10.4804023771852,11.223122904561226,11.936516748015292,12.61844460224179,13.267493747321044,13.882907496631235,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_50,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178789183031472,0.9128344855283734,2.131701211341197,3.6264705398140458,4.84526014367099,5.571835089301311,5.93361882609857,6.098552729239352,6.159773215333116,3.1270079159946462,0.7163079253064917,0.0234132279026822,9.086861586722986,4.7733257166050125,5.532876079973506,1.6668444774328346,2.206627518453525,4.781693472897805,0.3694492599199018,5.16222159781274,0.2892318833620025,18.42212279066566,-1.4878650807454934,-3.348229605254793,-0.3694492599199018,-4.443459160104707,0.0306174014180715,-18.42212279066566,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.710538834252258,10.479693003849205,11.22249709805168,11.935965165118112,12.617956623410404,13.267059105123089,13.882517051248636,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_51,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179300866165437,0.9128848940018548,2.131678484485839,3.6263583417033742,4.845091617211044,5.571637265646026,5.933406888707868,6.098334381188627,6.159552485849304,3.1269229373191223,0.7163646592809495,0.0234293563042414,9.086316001228848,4.773184806766511,5.532560290142125,1.6668377486053256,2.204318231499625,4.777179743429578,0.36953829588297,5.160624598563384,0.2880373082367642,18.412357075157523,-1.4910647273300746,-3.354702617389036,-0.36953829588297,-4.4473710943938345,0.0293605011186855,-18.412357075157523,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.709578793801724,10.478830724634973,11.221730325070968,11.935289205221697,12.617365333077776,13.266545577548932,13.882074093764674,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_52,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217956846595359,0.9129513218573316,2.13179841219076,3.626536204099949,4.845315215280706,5.571892238830064,5.933679458760111,6.098615494937221,6.159836859812171,3.127082438152811,0.7164222382641532,0.0234336131659453,9.0868748623699,4.773639311471246,5.532791182150215,1.6670037574127443,2.1959430967522446,4.758479208735443,0.3676007931325629,5.136749441812748,0.2879431909311933,18.33173134641249,-1.4800648345733844,-3.330767396559033,-0.3676007931325629,-4.420871179633888,0.0306226357383996,-18.33173134641249,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.711489118601952,10.480565670666405,11.22329650804231,11.936698557494312,12.618632065018671,13.267684344899692,13.883098984040748,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_53,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179289442078729,0.9128774105830088,2.1316670981479846,3.6263537329209874,4.845098866857713,5.5716572734013,5.933435488599818,6.098367462441318,6.159587325225792,3.1269154256725606,0.716359145496651,0.0234293728316332,9.086121128226884,4.773113504517089,5.532397968611363,1.6668060364613175,2.206800868628953,4.781490378165224,0.3689169511596122,5.158136477905852,0.2903071031156108,18.41234336633701,-1.4823686429671703,-3.336718968916648,-0.3689169511596122,-4.433704252244069,0.0320652373038825,-18.41234336633701,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,9.71093079829218,10.480072497966932,11.222862935955009,11.936316276376113,12.618292203723632,13.26737868260802,13.88282048458052,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_54,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.153280380653102,0.7745020846685813,1.8658194789015847,3.375450232057271,4.78443492333851,5.688738738690944,6.154365553184389,6.369745004713125,6.450165106431393,2.843050328509597,0.5979023380880163,0.0091542286229571,7.954795946225817,3.868075956289599,4.762807450386023,1.217303613403387,1.027443253816727,2.04909403515594,1.22034767366496e-05,1.0275408816306202,0.4571893664295623,5.137460338618369,1.0273212190493606,2.048825491304542,-1.22034767366496e-05,1.0272235912354677,0.4571808239958467,-5.137460338618369,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,6.868485520377708,7.708347173089818,8.546943901710758,9.374172931676313,10.182022774033513,10.964253110555596,11.716200662024178,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_55,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006335326892192,0.7291312454649991,2.1746136335001616,3.954269988701647,5.323568860190474,6.110282857735786,6.495483791044459,6.669846534886302,6.7343816549465645,3.371682018861946,0.524255014605702,0.0035632005811281,10.602795872075273,5.216483440004962,6.5119511132227865,1.7249998029836904,0.4777710007486294,0.9896134378217718,0.0356648747138655,0.7630899984595537,0.1457364552446423,3.1021524980204576,0.1211222536099743,0.2047893240083097,-0.0356648747138655,-0.1641967441009498,0.1207710429449364,-3.1021524980204576,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,8.219364122905931,8.95682858436649,9.690789117089256,10.417454866094666,11.13184251315133,11.82884455140103,12.503902545149732,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_56,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1533002396668894,0.774551015325633,1.8659120739715849,3.375609285401275,4.784651533569157,5.68899018824267,6.154634417768616,6.370021816888893,6.450444869500355,2.8431864097880064,0.5979450828583454,0.0091566610533816,7.955577989252208,3.868449391568668,4.763233529019658,1.217434279433559,1.0274225120314884,2.049043858618339,3.6583043231230966e-06,1.0274517784660735,0.4571961585334066,5.137185726243905,1.0273859289882572,2.04896335572939,-3.6583043231230966e-06,1.0273566625536723,0.4571935977203804,-5.137185726243905,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,6.868745894267769,7.708460032420367,8.546953426417899,9.374112130714568,10.181916126163395,10.964118516730432,11.716050978069289,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_57,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.100644026392372,0.7291721265882363,2.174693628451005,3.954378586818203,5.323699858174419,6.11043039565641,6.495640808563116,6.670008174825694,6.734545060062822,3.3717820598193127,0.5242878304956581,0.0035639365047865,10.603315463160175,5.216825273183337,6.512173174150821,1.7251299791543424,0.4777612491435329,0.9895841446875884,0.0356553258049715,0.7630038555833054,0.1457500199845504,3.101912761817096,0.121207991093817,0.2049701595797703,-0.0356553258049715,-0.1640346153459554,0.1207912919210703,-3.101912761817096,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,8.219140529059482,8.956507225563357,9.6903716636471,10.416947534619943,11.131254916478133,11.828188316211946,12.503190072326383,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_58,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1532503503282346,0.774409757395611,1.865732508374956,3.375453841956605,4.784528135788535,5.6888840846168485,6.154535902161121,6.369926506568096,6.450350707205269,2.843019107361318,0.5978211262200536,0.0091520762491525,7.955180136712778,3.868002148988932,4.763029359158276,1.2172217573518418,1.0273840329796078,2.0489799771702937,1.6130781867938645e-05,1.027513079234551,0.457155649459923,5.137242780535397,1.0272227251609285,2.0486250109272834,-1.6130781867938645e-05,1.0270936789059848,0.4571443579126154,-5.137242780535397,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,6.868399884441757,7.70825592739491,8.546826122442178,9.374017877591331,10.18182664149991,10.964016578739471,11.71592709683832,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_59,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.10063111049896,0.7291230820120883,2.1746440161897582,3.9543636221500247,5.323706499161776,6.110442063618911,6.495652415855025,6.670019166789996,6.734555728941485,3.371755132397447,0.5242456963465447,0.0035634924905548,10.603530410239568,5.21670507466861,6.512310891243887,1.7250404568637212,0.4779391224656531,0.9899827800919268,0.0356978993438973,0.7635223172168322,0.145749348227408,3.1036535992062126,0.1209601290266793,0.2044319421218061,-0.0356978993438973,-0.1646230657244997,0.1207608186866799,-3.1036535992062126,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,8.219336638904048,8.95682149582944,9.690796440764402,10.41747206799626,11.131866206722778,11.828872240708725,12.503932417216603,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_60,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1532607885354251,0.7744602682879809,1.8657837716963257,3.3754531468519646,4.784474006505894,5.688797665344742,6.154433570309235,6.36981697152291,6.450238507234613,2.843038663598987,0.5978637155610714,0.0091516550182563,7.955051180506577,3.868034144038581,4.762963045718282,1.217256015849542,1.0275928377812196,2.0494230096553,4.19332754526818e-05,1.027928303984841,0.457200187921169,5.138802854415152,1.027173505026693,2.0485002461236603,-4.19332754526818e-05,1.0268380388230716,0.4571708346283522,-5.138802854415152,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,6.86871262334619,7.7087207104732975,8.547445658455842,9.37478251690269,10.182719410516178,10.965017029326733,11.717013973016227,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_61,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006172025528747,0.7290972585282932,2.1746265118803056,3.9543468065619582,5.323688766701177,6.1104259441429765,6.495637916707963,6.670005597101941,6.734542535027807,3.3717390132179736,0.5242202329040224,0.0035619412545179,10.60349846847564,5.2166390089492864,6.512362895188265,1.725015891684906,0.4779672606618756,0.9900225634166312,0.0356820565422446,0.7634237129998329,0.1457915749778259,3.1034774341542715,0.121146695239429,0.2048203545351354,-0.0356820565422446,-0.1643097570985282,0.1208141353982546,-3.1034774341542715,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,8.219398105564364,8.956870710951542,9.6908368993406,10.417506111501572,11.131895432165075,11.82889776992547,12.5039550626787,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_62,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1532874216019639,0.7745128984719568,1.865851731502665,3.3755303894593225,4.78455164397702,5.688874858151131,6.154510754267735,6.369894236062529,6.450315817584747,2.8431142358407056,0.5979125774093641,0.0091554243935176,7.955206215958677,3.86826385320178,4.762967424151611,1.2173615244339318,1.0275083613128204,2.049233842098052,2.186371987518588e-05,1.0276832710718218,0.4572002263094391,5.137979080961606,1.0272897241140686,2.048752719573064,-2.186371987518588e-05,1.027114814355067,0.4571849217055266,-5.137979080961606,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,6.868969345614649,7.708875407014896,8.547543091241927,9.37485345333551,10.18278425671805,10.96508859939164,11.717099641351538,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_63,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006166448816678,0.7290943208739085,2.174613944416737,3.95432506476507,5.323667760141468,6.110409555943996,6.495625053464522,6.669994615555729,6.734532295942194,3.371719281860494,0.5242181100068307,0.0035619640197029,10.60325011950906,5.216576726266533,6.512193867248552,1.7250112798456512,0.4776840798265683,0.9894135380883072,0.035639124243403,0.7627970737737929,0.145746057566442,3.101202884000903,0.1212928373925373,0.2051560767676157,-0.035639124243403,-0.1638201565546873,0.1207986705960599,-3.101202884000903,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,8.219019044888778,8.956427129475525,9.690324404462618,10.416926127217216,11.131253709397132,11.828202768626989,12.503216553193534,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_64,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.153273307052534,0.7744825209567847,1.8658402291766951,3.375561432598821,4.7846128150049685,5.688948189697243,6.154588199227065,6.369973109370587,6.450395149045559,2.843130783809665,0.5978833906360691,0.0091538715563807,7.955522062543402,3.868296016918838,4.763232093075976,1.2173431805420776,1.0274621627919582,2.0491488431873384,2.878616424351415e-05,1.0276924521059063,0.4571666883844648,5.137886537244662,1.0271743011495231,2.048515388674354,-2.878616424351415e-05,1.0269440118355748,0.4571465380694944,-5.137886537244662,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,6.868879321251075,7.7089441934060625,8.54771016560496,9.375076496311284,10.183034011666622,10.96534528762206,11.717350341468254,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_65,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006458731866234,0.7291674348061631,2.1746857100186703,3.9543936103631134,5.32373728410048,6.110478453754822,6.495692946665731,6.670061868165517,6.734599279869521,3.3717878339134124,0.5242856731434258,0.0035642982855537,10.603581343324574,5.216825365611576,6.5124071197907485,1.7251122879862115,0.4778522561960632,0.98978454919426,0.0356736617973068,0.7632415505745179,0.1457561381372978,3.102734516926452,0.1211156382229948,0.2047670710403884,-0.0356736617973068,-0.1642736561554598,0.120784574879183,-3.102734516926452,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,8.219629688190306,8.957090309754458,9.69104538170377,10.417704004006715,11.132083081588414,11.829075456386343,12.50412306717726,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_66,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1532917825299517,0.7744942069721036,1.8657727050320008,3.375421103568403,4.784449254243765,5.688784116621305,6.154427138460838,6.3698140944804535,6.450236997369603,2.8430091423012445,0.5979027434260918,0.0091570665563123,7.954636864793125,3.868028548504888,4.76257272563054,1.2172699909108051,1.027498397390275,2.049199208739178,7.545905358816053e-06,1.0275587646331452,0.4572226382661245,5.13764290505855,1.0274229383366866,2.0490331571678864,-7.545905358816053e-06,1.027362571093816,0.4572173561323734,-5.13764290505855,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,6.868237378346287,7.708141755079298,8.546770387197194,9.374023330741435,10.18189120025481,10.96413525241105,11.7160933818781,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_67,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005998446346739,0.7290320674495038,2.1745136795447944,3.954209662282806,5.323545949894632,6.110283086646319,6.49549573904916,6.669863868488903,6.734400994437877,3.371607167852866,0.5241663180711501,0.0035609884528097,10.602828789734623,5.216188673256308,6.511954590401958,1.7248314814840586,0.4779660943592358,0.990016496404648,0.0356784280650102,0.7633935188793173,0.1457978593679658,3.103399033096383,0.1211818137091338,0.2048941340515047,-0.0356784280650102,-0.1642456108109477,0.1208229597224586,-3.103399033096383,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,8.219265256980162,8.956752826481166,9.690728793084944,10.417404344869974,11.13179781167837,11.828802959570217,12.50386230123348,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_68,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1532611295638851,0.7744735380011784,1.8658562919204265,3.375623063803838,4.784729786029311,5.689106928702001,6.154770172845834,6.370166203756901,6.450592454551282,2.843174791712481,0.5978716475021841,0.0091513859603816,7.955925425161611,3.868381121248283,4.763476360275589,1.217355137055674,1.0273857408952056,2.048982095726037,1.4881884447390706e-05,1.0275047959707848,0.4571587511650277,5.137226342164976,1.0272369220507318,2.0486546121201923,-1.4881884447390706e-05,1.0271178669751526,0.4571483338459144,-5.137226342164976,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,6.8681432653632895,7.708042558118037,8.546645066950292,9.37386127954684,10.181688818943604,10.963893404191907,11.715815559078754,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_69,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006292878062168,0.7291443249004236,2.174699237602471,3.954420270812706,5.3237599313276425,6.110498976013005,6.495713299895884,6.670082411057107,6.734619940078124,3.371813702973748,0.5242589157517351,0.0035627405091557,10.603671973635016,5.216916500546348,6.512353002606147,1.725141231951645,0.4780097510649446,0.99013643784115,0.0357103139686111,0.7636922628138336,0.1457575005327544,3.104255034696945,0.1209066113788331,0.204312409598598,-0.0357103139686111,-0.1647759003700559,0.1207602807547266,-3.104255034696945,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,8.219272537817716,8.95676565085951,9.690742497046092,10.417416072851127,11.131805983711976,11.82880685449875,12.503861750904292,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_70,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1532921083620354,0.7745308484442084,1.865869102932456,3.375539351225364,4.7845692220658655,5.6889051218259,6.154549205832669,6.369936797381528,6.450359961703212,2.843124296444538,0.5979278079651181,0.0091555948055268,7.955232926436652,3.868287189107474,4.76298884522425,1.217379012189921,1.0275161853826906,2.049228976174074,2.0095402613298903e-06,1.0275322617047815,0.4572409346073075,5.13762111771868,1.0274960899800776,2.0491847551956623,-2.0095402613298903e-06,1.027480013657987,0.4572395279291246,-5.13762111771868,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,6.868334749696039,7.708124719170625,8.546676870820555,9.373881565035084,10.18172186158593,10.963953133679778,11.715908758400928,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_71,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006263753230174,0.729129920803784,2.1746589290235847,3.9543485989321328,5.323665772753589,6.110392397548029,6.4956007415844175,6.66996716511328,6.734503702255507,3.3717520257006823,0.5242480353235038,0.0035625672696088,10.603199139097176,5.216717524258183,6.512077155706796,1.7250787367001144,0.4778054247889204,0.9896810946621398,0.0356639079488621,0.763116688379818,0.145753586626953,3.1023052829218463,0.1211663453002985,0.2048782550152939,-0.0356639079488621,-0.164144918290599,0.1207888510627495,-3.1023052829218463,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,8.219067235687941,8.956456559756697,9.690334390686315,10.416917474386388,11.131228082833449,11.828162254326802,12.503163368937503,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_72,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1532837694872653,0.7745121112468278,1.8658621967871367,3.375553610314999,4.784591622844543,5.688928294945851,6.154571818082316,6.36995897159395,6.450381946210779,2.843132553087933,0.5979100845016325,0.0091546734690488,7.955407706905558,3.8682952264752464,4.763185365833,1.2173726091143553,1.0275520404595204,2.0493363543713787,3.680127344457727e-05,1.027846450647077,0.4571916556167781,5.138496227766495,1.0271840277250746,2.0485265232125687,-3.680127344457727e-05,1.026889617537518,0.4571658947253669,-5.138496227766495,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,6.86849781171966,7.708551991507637,8.54731140339435,9.374674034783512,10.182630216646452,10.964942306471736,11.71695015955926,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_73,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006398638487839,0.7291632226473524,2.174701313086594,3.954414758057892,5.323754407852213,6.110492269641361,6.495705183692822,6.670073428186905,6.734610597157844,3.371809026514696,0.524278663694355,0.0035636590873496,10.603694224165933,5.216883048267823,6.512472638940538,1.7251365363023483,0.4780446973828673,0.9901969058479806,0.0357013643150494,0.7636556119032631,0.1457898322446582,3.1042507732153264,0.1210310542323725,0.204569819385873,-0.0357013643150494,-0.1645798602880232,0.1207988772241235,-3.1042507732153264,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,8.219334780925749,8.95682777035875,9.690807426837823,10.417485181560975,11.131879631007635,11.828884796164866,12.503943413288347,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_74,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1532499272110004,0.7744506082885209,1.8658184862020148,3.3755685886490863,4.784664364961038,5.689034289529202,6.154693446709191,6.370087478393236,6.450512963721247,2.8431252198986883,0.5978508045849157,0.0091498035734136,7.955700149111895,3.868239095904259,4.76334865081009,1.217294778392902,1.027452471993879,2.049137418507196,3.6450651501420485e-05,1.0277440772058897,0.4571480050657108,5.13799137299942,1.0270879654788645,2.0483353029665685,-3.6450651501420485e-05,1.0267963602668528,0.4571224896096598,-5.13799137299942,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,6.868858198510727,7.70891124927643,8.547671446926575,9.37503521639534,10.182991874340551,10.965303201946549,11.717308800472752,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_75,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006246917496545,0.7291187356813348,2.174643445732178,3.954363111498842,5.323720288279232,6.110474994515673,6.495698269099273,6.670071688412211,6.734610851092285,3.371753543544767,0.5242399885855143,0.0035623954917257,10.60351279653449,5.2167108103038,6.512320396075989,1.7250512054502256,0.4777806562582634,0.9896294012969272,0.0356616807676549,0.763074102399503,0.1457467405955741,3.102136896644416,0.1211638485817137,0.2048755719306808,-0.0356616807676549,-0.1641295975595258,0.1207835640582157,-3.102136896644416,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,8.219492626924007,8.95697196098263,9.6909406998431,10.417609263698411,11.131995625658702,11.828993442912893,12.504045251241177,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_76,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1533081224705346,0.7745637435063915,1.865918575894836,3.3756407700939928,4.784710145793725,5.689062719898693,6.154712893818694,6.370102767834823,6.450526700949082,2.843207139709252,0.5979588700939604,0.0091575936663849,7.955698298420649,3.868520253974115,4.763246190217714,1.2174417931762274,1.0275287074089965,2.049275465232927,2.2878160052411168e-05,1.0277117326894158,0.4572073782469051,5.138101100246029,1.0272999258084723,2.048772019424331,-2.2878160052411168e-05,1.027116900528053,0.4571913635348684,-5.138101100246029,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,6.868516013856366,7.708507711672364,8.54723444609786,9.374585792405815,10.182545290701992,10.96487000815662,11.71689584104962,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_77,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006106425054691,0.7290846938283713,2.174611950076297,3.9543270959907297,5.323679594869636,6.110433555578513,6.4956572134914685,6.670030983099869,6.734570304112107,3.371719823165157,0.5242078672686652,0.0035613458264379,10.60329753343946,5.216572564540705,6.5122348079554255,1.7250057362252236,0.4777589049384116,0.989578864357208,0.0356547388418027,0.7629968156728334,0.145750077369213,3.1018893015281126,0.1212115165203842,0.2049777956791413,-0.0356547388418027,-0.1640263942140375,0.1207917601799511,-3.1018893015281126,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1107,8.219020605568845,8.956440283748895,9.690341249412745,10.416941609848694,11.131264833845895,11.828207973905814,12.503215242838465,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_78,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650376328430982,0.3764643409619707,1.2773801817878498,2.80151761387254,4.260712612981703,5.200175322293357,5.684563455284708,5.908786916915052,5.992537713258635,2.2543074771190588,0.2732846167092812,0.0042111004519139,7.125397739655116,2.162224625338516,4.550642933800691,0.4359154964194089,4.993031785998114,10.808768181677616,0.5695838461083156,5.913434440579362,0.7833097985908387,21.60860374757339,0.0418009876276533,0.3365614163658765,-0.0101579823721192,-5.913434440579362,-0.7833097985908387,1.3176397507581694,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.740319533991254,15.583464168957754,16.33662390763958,17.010827552472357,17.6157163238432,18.159630096358967,18.649762695118227,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_79,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650586161016924,0.3765101255559961,1.2774840191830592,2.801735131862601,4.261037817589129,5.200569043518521,5.6849924176590925,5.909232192626186,5.992989083677101,2.2544840612011763,0.273325016742024,0.00421391698337,7.1264614229739385,2.16256097366133,4.551309541398543,0.4359822346778306,4.993045221925037,10.808747222249998,0.5695818194020693,5.914061442605646,0.7833837667423666,21.609252262361235,0.040915548970888,0.3346520717950378,-0.0102528448580777,-5.914061442605646,-0.7833837667423666,1.3150390132560836,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.752230428073904,15.593893077080091,16.34584085427443,17.019038813737776,17.623082248807595,18.166277396738494,18.65579302305652,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_80,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650288753126608,0.3764596756707188,1.2774500994936948,2.8017376090681205,4.261088064700326,5.200656969210877,5.685101660624997,5.909351705385691,5.993112495087424,2.254472137621207,0.2732752070794464,0.0042098551572378,7.126172573693364,2.1626205499203346,4.551066889593797,0.4360227822122835,4.992787791983578,10.808205697804798,0.5695292671867603,5.913024161186778,0.7833311112278688,21.60763332764938,0.0416706564191825,0.3362952772883656,-0.0101449951420091,-5.913024161186778,-0.7833311112278688,1.319034146142448,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.737586047768962,15.5809506867027,16.334334854271567,17.008753441054687,17.613841075514724,18.15793519346856,18.648229439837223,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_81,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650282192702502,0.3764485159033796,1.277391107711584,2.801562198368336,4.260782952575126,5.200263804512745,5.684662205808485,5.9088906579763165,5.992643358192123,2.25434171904329,0.2732679203880061,0.0042098641837827,7.125579810541591,2.162304649361784,4.550723278436669,0.4359139936101007,4.993364696271709,10.809467711431504,0.5696308494855292,5.914320879810517,0.783387903874182,21.61043214688584,0.0412223054373431,0.335317834973952,-0.010232293740079,-5.914320879810517,-0.783387903874182,1.3152221339895498,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.747501135653486,15.589814284695583,16.3422843247121,17.01590989051731,17.620308909620153,18.163803435091545,18.653573670361148,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_82,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650587927231059,0.376508528595242,1.2774292175213746,2.8015595072249107,4.2607324030312,5.200175660098622,5.684552694764866,5.908770826746447,5.992519604789042,2.25435407267091,0.2733259046724254,0.0042138586513924,7.12564210679796,2.162290881113614,4.550834408796947,0.4359329601739394,4.992595923577954,10.807814320873083,0.5695287551064842,5.9129412306187215,0.7832582107598612,21.606778325141057,0.0417060155451157,0.336340198322594,-0.0101618729816986,-5.9129412306187215,-0.7832582107598612,1.3176063420546604,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.748796132548112,15.59095586519993,16.343309756406484,17.01684263055974,17.621164504444536,18.16459280528713,18.654304945047173,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_83,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650279849930945,0.3764704711383282,1.2774603969770777,2.801705305037548,4.26102034007656,5.200572835407363,5.685010997790246,5.909258446457426,5.993018334017767,2.254455623211962,0.2732818256431054,0.0042096453348833,7.126179005249993,2.1625268703618787,4.551104903117513,0.4359719469107259,4.994259869459087,10.81142044901351,0.5697112798050642,5.914693813919365,0.7835166392345051,21.613831999005985,0.0419411529750844,0.3369379654033222,-0.0101333884234895,-5.914693813919365,-0.7835166392345051,1.319268611006606,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.73544908010793,15.579295806144016,16.333057960793813,17.007775389766945,17.61310062889155,18.15738433332775,18.64783014967939,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_84,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650800341261334,0.3765474315535565,1.2774721931557642,2.8016382693424,4.26089582015811,5.200415480864881,5.684837439583327,5.909077505608942,5.992834651625345,2.254413653283272,0.2733630190295295,0.0042167353398752,7.125787670325292,2.16238423049035,4.550875277524647,0.4359198295935575,4.993601395363785,10.809954407552835,0.5696346459429286,5.914440095262218,0.7834710467454613,21.611479160531243,0.0411903290677478,0.3352843221698912,-0.0102133432283137,-5.914440095262218,-0.7834710467454613,1.3167995395377607,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.745296527950437,15.587646298510563,16.34020482176645,17.01394362966077,17.618465098925917,18.162082556744576,18.65197148241617,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_85,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650219944883553,0.3764383522016024,1.27738902599928,2.801614270426361,4.260905603162238,5.200434033210788,5.684856894491526,5.909096600313634,5.992853489800671,2.254370575043294,0.2732581091967505,0.0042089894061609,7.126011141844128,2.162415861102976,4.55101462315523,0.4359314761999326,4.993271364752635,10.809286071721932,0.5696163339566456,5.913843027225889,0.7833462321336447,21.60971773836633,0.041687263342626,0.3363221233687647,-0.0101764863905052,-5.913843027225889,-0.7833462321336447,1.3169690262160594,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.734921672034645,15.578571085976582,16.332170401138928,17.00675911865961,17.611987051609407,18.156201066850965,18.64660071327621,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_86,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650584489918295,0.3764999869234741,1.2774468070330365,2.8016233253699685,4.260848797436613,5.200332617596944,5.684732476231718,5.908961579343062,5.992714518389976,2.2544010566161377,0.2733179511180333,0.0042140077495195,7.125901417792916,2.1623711455993413,4.550958681731657,0.4358762043092895,4.9927520364618685,10.808143980754686,0.569561329487344,5.913568505352241,0.7832880656455229,21.60775325891699,0.0412583486266576,0.3353651414721666,-0.0102268422552855,-5.913568505352241,-0.7832880656455229,1.31516724792496,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.742330912189525,15.58507159485727,16.337942955594453,17.0119356492832,17.61666619758759,18.16045833221578,18.650495187697093,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_87,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650731296309797,0.3765377309157036,1.2774540763833373,2.8015916112851835,4.260798942667859,5.200273899913333,5.684669388732265,5.90889647102485,5.992648653224778,2.25437964922207,0.2733532703413581,0.0042157634634134,7.125821813358415,2.162306996878072,4.550980879888651,0.435933100321042,4.9932787255832185,10.809296314197548,0.5695923190445794,5.913378006698932,0.7833659704917751,21.60949583907832,0.0420679576734426,0.3371708970453198,-0.0101093542382836,-5.913378006698932,-0.7833659704917751,1.3199372741781117,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.73208782536598,15.576219366246194,16.33023542095274,17.00517872216004,17.61070513130846,18.155168526341605,18.64577544104316,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_88,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650469084219472,0.3764845405096256,1.277442945546902,2.801687512882645,4.26100755735277,5.2005605938389845,5.684997945342491,5.909244754923142,5.993004360428469,2.2544358586917213,0.2733023158895756,0.0042123224077907,7.1261056211754825,2.162510728438839,4.551036595016569,0.4359846652847297,4.993627253766923,10.810030532029137,0.5696665637276419,5.914836503453661,0.7834344501924848,21.61171479794132,0.0410049525730103,0.3348550813563327,-0.010262985245427,-5.914836503453661,-0.7834344501924848,1.3141805838839085,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.740781951558535,15.583820595223967,16.336910869185797,17.011068957795736,17.61592757014079,18.15982097338353,18.649939357792498,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_89,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650590575361287,0.3765433006511109,1.2776097127307144,2.801916918769237,4.26122539292902,5.200750479693129,5.685169111290082,5.909406440740389,5.993162384553984,2.254654609387077,0.2733447988706526,0.004213782809627,7.126880863534286,2.1629341795686137,4.551483140591291,0.4361042268268389,4.992991813191906,10.808639541696603,0.5695774313499016,5.913926601451376,0.7833635055612435,21.60894245438438,0.0410331041708132,0.3349017498182807,-0.0102413294207105,-5.913926601451376,-0.7833635055612435,1.3152858274129589,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.73898958725686,15.582244553300898,16.33555360524148,17.009916996713248,17.614960399632118,18.159015954224337,18.64927431164285,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_90,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650571921243492,0.3764971524241012,1.2774115883436024,2.8015528123219013,4.260753224871364,5.200220900564992,5.6846121866142365,5.90883725667127,5.992588678697516,2.254341087589438,0.2733170702979303,0.0042137514159947,7.125436447334029,2.1623230434736462,4.550614440951984,0.4358894832052559,4.993103814146431,10.808897737407714,0.5695927925187912,5.913899612191903,0.7833578522232794,21.609260724173826,0.0412837056910634,0.3354462270610021,-0.0102164014257362,-5.913899612191903,-0.7833578522232794,1.3159389361153644,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.73355984257666,15.577429081682924,16.331211365832633,17.005952155538232,17.611306499838584,18.15562570613353,18.64611302613197,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_91,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650579262189515,0.3764945668687064,1.277435267860255,2.801654944038694,4.260937241490714,5.200458146892216,5.684876783840539,5.9091144729832745,5.9928706004547365,2.254413525105828,0.273315018891955,0.0042139153091936,7.126124648110614,2.1623931433131167,4.551134095720791,0.4359278935192093,4.992770298627782,10.80815563232136,0.5695564912238356,5.913820866209507,0.7833330691579888,21.608096389561407,0.0408623567384674,0.334517330604273,-0.010263973960919,-5.913820866209507,-0.7833330691579888,1.3143801080949955,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.745788439161682,15.588099857111557,16.34062475230261,17.01433288684787,17.618825952340504,18.16241703448277,18.65228152384921,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_92,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650653037658859,0.3765440043789612,1.277573938337989,2.8018870812505328,4.261252497792742,5.20083106978177,5.68528118028694,5.909533864024263,5.993295662323518,2.2546146655768955,0.2733501361449513,0.0042146387675423,7.126746640537998,2.1628176316710603,4.551417675535237,0.4360871344667065,4.9929758249750416,10.80861351674973,0.5695453581112281,5.913117155579755,0.7833618085070505,21.608366939381256,0.04179245326588,0.3365733114434037,-0.0101266605289035,-5.913117155579755,-0.7833618085070505,1.319846286976649,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.731259149046224,15.575320688240408,16.32930827816864,17.004249395345244,17.609790168875577,18.15427819525032,18.644915900330627,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_93,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650404483614392,0.3764913409703239,1.277490392615662,2.8017354924357702,4.26102788509581,5.200557175240203,5.684981294693615,5.909221819760487,5.992979056273044,2.2544889099617844,0.2733018870239298,0.0042113745043529,7.1261278684605065,2.162634132394853,4.551017492546047,0.4360375587987986,4.993733903923045,10.810262821966168,0.5696799443216538,5.914970256140878,0.7834486729410461,21.61217425590255,0.0410089916459658,0.3348678180163065,-0.0102640670362082,-5.914970256140878,-0.7834486729410461,1.3141338583773778,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.741685549568016,15.584603422392728,16.33760441011317,17.01169466545962,17.61650012185626,18.16035050082541,18.65043295549219,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_94,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650757305972266,0.3765526213890344,1.277503833056836,2.801655254356304,4.260846628094214,5.200303628102483,5.684688348199287,5.908910168570303,5.992660344782227,2.2544432617260592,0.2733634825463477,0.0042160699141307,7.126077556273376,2.1624459827490545,4.55110012971146,0.4359516682169267,4.993043108799085,10.808790894806569,0.569571127464831,5.913161357923709,0.7833200678007974,21.60849175575479,0.0420425735618715,0.3370985532535294,-0.010117162758058,-5.913161357923709,-0.7833200678007974,1.3194015979536733,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.73839634849736,15.581806734670115,16.335210698143065,17.009631490359972,17.614709313383234,18.15878543465509,18.64905620092092,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_95,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650274090319868,0.3764595640502467,1.2774534704747775,2.8017328643794706,4.261083343986683,5.20065951654538,5.685110194066114,5.909363508292846,5.993125598428124,2.2544702359028177,0.2732740994424957,0.0042096440684171,7.126306807019664,2.162558115778635,4.551218188364719,0.4359996535543905,4.99364312069138,10.810079277258144,0.5696464155593675,5.914168862739728,0.7834260520942167,21.61131198890928,0.0417123011300539,0.3364072780600816,-0.0101624798014303,-5.914168862739728,-0.7834260520942167,1.318000651281354,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.735003071591922,15.578737548950109,16.33244385572679,17.00714090822714,17.61246773484571,18.15676630468129,18.64723468784248,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_96,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650714530752864,0.3765296438253584,1.277450356476307,2.8016237929812293,4.260886802863695,5.200406515244434,5.684827367403126,5.9090666665867255,5.992823485656854,2.254396055999864,0.2733467888912967,0.0042155898193919,7.125842032985307,2.1623310116271885,4.550956801825911,0.4359460811245949,4.993866902845486,10.810549424025398,0.5696769256027951,5.914741665952099,0.7834791247015107,21.612527768028283,0.0413432164532423,0.3356154831706817,-0.010209134569603,-5.914741665952099,-0.7834791247015107,1.31651566199434,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.747826575463463,15.589987263956347,16.34235347893737,17.01590734587512,17.620256463870067,18.16371624559473,18.65346249577417,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_97,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650742311303133,0.3765253746997037,1.2774082246328096,2.8015207424358763,4.260714008192255,5.200182522954624,5.684575281239238,5.908801216043687,5.992552987195872,2.254315931059027,0.2733466298005441,0.0042159811396519,7.125443608339322,2.162251411793388,4.550649563298677,0.4358996722673301,4.993177630298977,10.809078357722749,0.5696054823192308,5.913794688239207,0.7833383422257915,21.609371104774624,0.0415979397814144,0.3361246120103223,-0.0101859745325206,-5.913794688239207,-0.7833383422257915,1.3166701149633222,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.738730005911348,15.582017765359906,16.335292424002464,17.009591725827722,17.614562604177305,18.158548621165394,18.64874600654977,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_98,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650680675199677,0.3765425201474944,1.277537724620171,2.8017619470444104,4.261024035299405,5.200529522412147,5.684940215832718,5.909174277361679,5.992929060485473,2.2545242927576434,0.273351029054536,0.0042150781843094,7.12640769695385,2.1626283108930653,4.551258490360154,0.4360042587457788,4.9929307965781895,10.808534567424593,0.5695723288718055,5.913521707719091,0.7833150317827016,21.608357626121528,0.0415137385759468,0.335935608683053,-0.0101896027435681,-5.913521707719091,-0.7833150317827016,1.3166900195834472,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.7494782440552,15.59145657160761,16.343664868933043,17.01708104061513,17.621309689756092,18.164663885476724,18.654317478520447,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_99,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650617400020765,0.3765062610781381,1.2773830086736333,2.8014820241937555,4.260668431086437,5.200134085100415,5.6845256055402125,5.9087510040636255,5.992502579878376,2.254281157649064,0.273327446785933,0.0042142544349874,7.125420551215909,2.162113621999221,4.550769665368831,0.4358738083924288,4.993524710570882,10.809828930055298,0.5696211650993752,5.91368519735824,0.7834040650996271,21.61056924453966,0.0420567519012406,0.3371579988935479,-0.0101121137135838,-5.91368519735824,-0.7834040650996271,1.3199044860860942,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.73587727202404,15.57966583064952,16.33336940352708,17.008030945950235,17.61330484785004,18.157542674807107,18.64794833604714,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_100,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650835173393216,0.3765611673297864,1.2775023099065774,2.801701731965503,4.260972249097341,5.200487792304509,5.684904101320907,5.909140796060278,5.992896564655692,2.2544664883862127,0.2733743449857452,0.0042171093051998,7.126134934040539,2.162560155760849,4.5510592504478575,0.4360236754064208,4.993165099481512,10.809035913015643,0.5696039808554977,5.913989504123544,0.7833579389407848,21.60951093537498,0.0413067435673406,0.3354947130614304,-0.0102182205167364,-5.913989504123544,-0.7833579389407848,1.3157338873467943,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.738312262023952,15.58183717650104,16.335293722327073,17.009732189988565,17.614808766963645,18.158874064134075,18.649129809728976,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_101,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650609207536129,0.3765202371307782,1.2775066672960431,2.8017096074222274,4.260925915713011,5.200391313272869,5.684778770660549,5.909001561635994,5.992752056841507,2.254482796164736,0.2733320429146938,0.0042142218425821,7.126136506820084,2.1625845489446904,4.551030445792425,0.4359541981401909,4.993227932836355,10.809127649967214,0.5696261279004328,5.915007447585604,0.7834236634756487,21.610543194839423,0.0401667711771707,0.3330185732684133,-0.0103600496767077,-5.915007447585604,-0.7834236634756487,1.3110269796395069,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM1107,14.74770475385823,15.589940492021338,16.342386454374758,17.016015122250206,17.620429658742907,18.163943988758344,18.653734018452564,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_102,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0079400417359605,0.2121259311415171,1.2534449202843854,3.4450714515901946,5.620203574747313,6.994805680478192,7.691386200581178,8.010836302150627,8.129662415419201,2.63388010274121,0.1252090258670146,2.33409913725932e-05,10.346104546710835,3.4932488125712893,5.74912641879888,0.4539315353515169,8.183231778671445,18.08471478476996,0.8940219831158311,3.71312186309229,0.7806677955381337,30.18789509596725,7.909163917413517,17.538127545670203,0.8940219831158311,-3.71312186309229,-0.7806677955381337,30.18789509596725,18.0,39.8456,2.0,0.0,0.0,66.0,-2.0,-3.9887,0.0,-8.0,-1.61,0.0,RSM1107,13.855778578896262,15.053861374975275,16.10010815688941,17.009698379543646,17.79933310858134,18.48520408741547,19.08204594206348,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM1107_103,RSM1107.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0079422230030786,0.2121477368405385,1.2534544587161915,3.445026518981612,5.620121438243411,6.9947069180968295,7.691280598532507,8.010727875033382,8.129552984441482,2.6338533780134807,0.1252258693960505,2.3353723002646056e-05,10.34575502018038,3.4931864955013787,5.748931371826753,0.453949728442757,8.183941606336958,18.08626875633696,0.8940920698902268,3.713481256885825,0.7807593911712211,30.19060319300208,7.909715651687123,17.53936622368106,0.8940920698902268,-3.713481256885825,-0.7807593911712211,30.19060319300208,18.0,39.8456,2.0,0.0,0.0,66.0,-2.0,-3.9887,0.0,-8.0,-1.61,0.0,RSM1107,13.855772887102116,15.053843179534464,16.100081973049317,17.009667401914342,17.799299543445304,18.485169430279875,19.082011188439427,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe][O]([Fe])[Fe], topology acs"
RSM0660_0,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0051299361428486,0.1985136299135201,1.1567225681946658,2.9819955880798146,4.8598530494931325,6.12119821704002,6.785164738701473,7.095390995532525,7.211713605537678,2.308205791811376,0.1121329516851761,7.448112197855894e-06,7.834884094857248,2.517836488452666,5.0919575657264255,0.4390233832047141,22.328508473424,50.04666601128945,2.0109708877833152,3.825083955542413,1.6754557174794724,55.12541977771207,-22.328508473424,-50.04666601128945,-2.0109708877833152,3.583724424309468,1.6754557174794724,-55.12541977771207,-22.0,-49.3806,-2.0,4.0,1.79,-46.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM0660,20.16905959656352,20.56383297684636,20.877435422047977,21.13022240233351,21.33667593457095,21.507284793909285,21.649773630660764,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_1,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0051299679896483,0.1985099118981609,1.1566899404333777,2.981933608144823,4.859782502581092,6.1211284992925,6.785096911794641,7.09532433755225,7.211647429016033,2.308151316848085,0.1121314994471026,7.448140009027342e-06,7.834631190302407,2.517739170965472,5.091789518959676,0.4389984591555473,22.328466913237087,50.046577084525545,2.010965025996979,3.825043450720615,1.6754631566804603,55.12521725360306,-22.328466913237087,-50.046577084525545,-2.010965025996979,3.583812878787078,1.6754631566804603,-55.12521725360306,-22.0,-49.3806,-2.0,4.0,1.79,-46.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM0660,20.168615420040343,20.563450670789464,20.877103979503307,21.12993296503224,21.336421411624915,21.507059501717627,21.649572992406256,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_2,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1444899226319045,0.4920066606273831,1.49067338818414,3.662152373068402,6.032780582288461,7.63409024346263,8.47403664878604,8.865405327537928,9.011956178650802,2.832781833593661,0.3891341208742362,0.0212379134725886,14.362381295620152,3.552561656355252,9.543370991516513,0.5110024778663684,4.271474497634736,9.33295932042104,0.7895996530035913,10.588271721663464,0.4219163789740889,33.91460322207772,4.271474497634736,9.33295932042104,0.7895996530035913,10.588271721663464,0.4219163789740889,33.91460322207772,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,3.9180540681487,4.621823434878891,5.330722242600638,6.030022921404676,6.709262241867131,7.361565581663066,7.982937901483309,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_3,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422242815311182,0.4920030570192675,1.4224971534095985,3.1712055917205504,4.958708133116448,6.143340295680251,6.76164047487576,7.049330232772708,7.157010608400899,2.5248318183954948,0.3876748145204624,0.0206074607281689,10.45572979560086,2.630825921337572,7.005074936423966,0.458234463756315,2.4788984297734413,5.364604277704307,0.408149469930348,5.744094189216225,0.3380207076594563,16.17597074625716,2.4788984297734413,5.364604277704307,0.408149469930348,5.744094189216225,0.3380207076594563,16.17597074625716,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,3.665298888817622,4.373032899727183,5.093967315815064,5.810174170894952,6.508758454325455,7.18118136964148,7.822407225798986,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_4,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434186528213828,0.4849641948096374,1.395219922891848,3.2004126432249422,5.095897005939496,6.362218226564268,7.024547595837701,7.332905393517954,7.44834268484579,2.524298118186067,0.3847873412527064,0.0209722987663033,10.020997657331112,2.7434309436010724,6.674362835891839,0.4061649368392016,3.3673703619153685,7.320317970248735,0.5692302210405827,7.70582782560341,0.3984349950372107,23.14259680422948,3.3673703619153685,7.320317970248735,0.5692302210405827,7.70582782560341,0.392793977534823,23.14259680422948,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0660,3.4760202977087307,4.173410777725017,4.892270714524086,5.612370106168215,6.318716697169913,7.001087974256953,7.653198967722776,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_5,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1440676435028757,0.6457859798559367,2.1303413373411093,4.63778906331516,7.026635481140433,8.560918954432353,9.351118109908429,9.716718381484508,9.8532469045882,3.739395798499008,0.4789575529009671,0.0191003126886773,18.276392858962097,6.663387737712976,10.747018013148198,1.300471617419868,3.0776857954757526,6.695560172513657,0.5407395290021565,7.403602027493004,0.3575829578370433,22.4633380527722,3.0776857954757526,6.695560172513657,0.5407395290021565,7.403602027493004,0.3575829578370433,22.4633380527722,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,2.557917605040634,3.025701784339225,3.530594879530172,4.064219598915494,4.617282747372927,5.18086563219144,5.747192299558112,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_6,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1433933094729607,0.6149842906745394,1.8615701693820383,3.9819093917679416,6.110091915507371,7.522295053165629,8.260655910961223,8.604502755817812,8.733248251814459,3.2086282714054684,0.4641827847473601,0.0189865269719047,15.936828517228776,4.757947894602624,9.614327418066246,0.5785496659555418,1.3448755657706883,2.949732521019215,0.2594556804537926,3.4205210094010288,0.1141320982746727,11.43751980291204,1.3448755657706883,2.949732521019215,0.2594556804537926,3.4205210094010288,0.1141320982746727,11.43751980291204,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,2.7078182267342865,3.196723337959997,3.721173616428327,4.271894300684936,4.839092437113075,5.413688205158324,5.987992909114388,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_7,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1486894214321395,0.661279258281106,1.845760538465896,3.6870077022464014,5.556097339152366,6.827987732313643,7.5030371110348675,7.819657994836363,7.938569413004367,3.01861284466518,0.5003232560881363,0.0192168727858693,13.68283733548287,4.09117308874734,8.33771462921295,0.5392436379805753,3.008710187482869,6.554613485196453,0.5373861915535635,7.307799719911378,0.335143799803814,22.573482471335097,3.008710187482869,6.554613485196453,0.5373861915535635,7.307799719911378,0.335143799803814,22.573482471335097,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,4.917566175863025,5.326214886966873,5.759646776490595,6.212359984189092,6.677886430935253,7.149880646921106,7.622764038871344,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_8,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1470420894812557,0.6524811300948884,1.837364681212936,3.7613196045523294,5.768064281322621,7.143944358261403,7.875284088395187,8.218393579494533,8.347257230187989,3.053673580155249,0.4939670635525349,0.018798455611422,13.784680248599123,4.092454383011921,8.304666647852958,0.5328476427520623,1.5203198103658702,3.322497119218736,0.2817114338518182,3.774011281180416,0.1483333771406529,12.118201317797926,1.5203198103658702,3.322497119218736,0.2817114338518182,3.774011281180416,0.1483333771406529,12.118201317797926,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,5.038989248619015,5.447563015734221,5.880527010063715,6.332305812217168,6.796450183806613,7.266689636294031,7.737549484381863,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_9,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.145231768953512,0.6290322536844831,1.8983418553851736,4.2132350553745095,6.575470158215986,8.13813428108144,8.952537445570913,9.331171498322398,9.472841770721676,3.358402455772336,0.4778887494379233,0.0185235969344816,16.58238610813835,4.847050727631617,10.065194940757994,0.7737508429790443,2.6921769020469184,5.924275266153151,0.5384353804093837,6.999659945321987,0.188452383143284,24.22959211842226,2.6921769020469184,5.924275266153151,0.5384353804093837,6.999659945321987,0.188452383143284,24.22959211842226,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,5.626887859440066,5.988243023610205,6.380229773712068,6.796271371155361,7.229011917093707,7.671419706895501,8.117409079830962,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_10,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1491350593963669,0.6656096354164839,1.9317065858121727,4.08606800499503,6.362286025752733,7.924555703541331,8.754656274792366,9.143987121992629,9.290190403289833,3.287258633752982,0.5022157462184106,0.0193471490013359,16.164915913871464,4.996173890530353,9.789333983192858,0.7472660001113673,3.005942732769467,6.550705046916186,0.5388690275748029,7.316894953367892,0.3333687720387423,22.69111826638888,3.005942732769467,6.550705046916186,0.5388690275748029,7.316894953367892,0.3333687720387423,22.69111826638888,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,4.902466544835391,5.311449439776556,5.743697224922063,6.194585458377683,6.658123201454756,7.1282042561188526,7.5993504060824115,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_11,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1460605654874648,0.6547597554799242,1.9983525256874863,4.348960456598789,6.724629203815326,8.300229361465517,9.12371063691986,9.507164352866615,9.650737988730588,3.487190208769518,0.4925065358009911,0.018642183823109,16.353963171750834,5.497636464855053,9.54634596767329,0.839947187664715,2.4048151171883947,5.257299967695896,0.4424508838136077,5.88258365743662,0.231089592333071,18.985767275933814,2.4048151171883947,5.257299967695896,0.4424508838136077,5.88258365743662,0.2294700117786258,18.985767275933814,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0660,5.067440148295048,5.490880123990045,5.934476702952476,6.393938149723883,6.863627814489944,7.337825547601112,7.811454514374623,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_12,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1453860970380961,0.6281875223789843,1.8006962466154612,3.853527877173492,6.0133485723035855,7.487247990161127,8.268591717613567,8.634751374035835,8.772212143777534,3.0915694378825327,0.4788147285773356,0.0185092357783052,14.53516009981539,4.155569364395975,8.646460553679873,0.4072473889605988,2.548393708213277,5.535732848206611,0.4396755177497968,6.065383072931496,0.3095771412527189,18.035574468307104,2.548393708213277,5.535732848206611,0.4396755177497968,6.065383072931496,0.3095662780382386,18.035574468307104,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0660,5.125416943056761,5.530357694109807,5.95795394793735,6.403913121880834,6.862454893075537,7.327636795628514,7.794125570045487,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_13,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140815284470466,0.4894080372366259,1.391965330324858,3.076923914474973,4.864960062959312,6.093639154720211,6.748103056256178,7.055554317290057,7.171098502314427,2.448974356090019,0.3858456493453297,0.0201708928467123,10.243322063522497,2.716534685113019,6.495715088733871,0.2467143656925714,2.1536981911911446,4.671649266411272,0.3578529697632927,4.926147066640197,0.2746569160613496,14.337163283405475,2.1536981911911446,4.671649266411272,0.3578529697632927,4.926147066640197,0.2722899548488968,14.337163283405475,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0660,3.2976211394042023,3.954098235388659,4.63542251067617,5.323699253576324,6.004819457453121,6.668554202447126,7.308130183306409,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_14,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398775760788118,0.4938159909778616,1.464650053098298,3.352344693608208,5.388443408037482,6.791343822915031,7.538294148708315,7.889006293764528,8.020771421962072,2.642745257913209,0.3869603557078674,0.0199012069567481,10.640523068621537,2.944603894028978,6.825322121662014,0.5106630030191385,3.290484157387189,7.1376133960941495,0.5579347599043728,7.753962236622172,0.4181377752166002,22.603012406370148,3.290484157387189,7.1376133960941495,0.5579347599043728,7.753962236622172,0.4181377752166002,22.603012406370148,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,3.144556084944671,3.775459739139015,4.43606395563444,5.108669995805536,5.778902871346688,6.436016432260474,7.072617534802501,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_15,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402632580703277,0.480902931210829,1.2863787213018336,2.7706668935895795,4.385060082558433,5.508550447064869,6.109662802927762,6.392499355416588,6.498854681143682,2.2128796282502896,0.3820272264699109,0.0200199490309443,8.688942530159158,2.010800004689826,5.628580501290201,0.1562002915962674,2.257126401767104,4.8925110462504176,0.3792504504187091,5.291130005116776,0.2933266542512815,15.26189952047412,2.257126401767104,4.8925110462504176,0.3792504504187091,5.291130005116776,0.2933266542512815,15.26189952047412,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,3.3543641687366503,4.01179945063876,4.694184828731961,5.383412346302399,6.065219386336733,6.729290016985568,7.368820172263809,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_16,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141237642554446,0.5005315341860119,1.4746050828584334,3.25909166406845,5.063717324180213,6.258635770298815,6.882667056429876,7.173146583087392,7.281893027163448,2.6036508942900736,0.3915642615553946,0.020262060754257,10.27110683677174,2.891857814487733,6.607510956114605,0.5546356472955026,1.880916894355828,4.097760966894712,0.3361309382413029,4.569964400286251,0.2067625087859002,14.124581205112069,1.880916894355828,4.097760966894712,0.3361309382413029,4.569964400286251,0.2067625087859002,14.124581205112069,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,3.4436563427935742,4.106509433032395,4.791654672767167,5.48144754124065,6.162110823042702,6.823765046328333,7.459967092895168,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_17,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1444691874168054,0.4919692641251398,1.490622982617595,3.6620744719497385,6.032657913803784,7.633934053854902,8.473862550232667,8.865222869662354,9.01177059194956,2.832716619158906,0.3891003843464844,0.0212319462872804,14.36164335941246,3.5524020691027234,9.542871182446614,0.5109998087595944,4.271446770285076,9.33289390821886,0.7895898512715973,10.588165580457856,0.4219221873140895,33.91405573758644,4.271446770285076,9.33289390821886,0.7895898512715973,10.588165580457856,0.4219221873140895,33.91405573758644,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,3.918044991158289,4.621819540529484,5.330722663664747,6.030026859012728,6.709268989600468,7.361574531049219,7.982948538217894,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_18,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422389528207811,0.4920277172770198,1.4225180309780563,3.17118047069718,4.958621289469038,6.143209794112424,6.761486812370612,7.049165745145706,7.156842063425877,2.5248264165144474,0.3876975356812337,0.0206116553570528,10.455358292370136,2.6308214723586367,7.00481090214467,0.4582601188085452,2.4788234900911545,5.364440941345949,0.4081359981025479,5.743911474911538,0.3380128697104573,16.175402416722587,2.4788234900911545,5.364440941345949,0.4081359981025479,5.743911474911538,0.3380128697104573,16.175402416722587,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,3.665328343095173,4.373066477908944,5.094003804711259,5.81021252866193,6.508797825227048,7.181221072970972,7.82244673360075,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_19,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434255971881727,0.4849810578632002,1.3952615003592852,3.200468113484246,5.095943490973463,6.3622512280563,7.024571842187718,7.332925225805518,7.4483608133732595,2.524351950507349,0.3848008000247649,0.0209742798558232,10.021180843293784,2.743563551426725,6.674440270030376,0.4061980732852315,3.367252267708092,7.320061627392287,0.5692245503325036,7.705846714918741,0.3984215491594949,23.142677442870127,3.367252267708092,7.320061627392287,0.5692245503325036,7.705846714918741,0.3927853074691541,23.142677442870127,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0660,3.475940537745866,4.173328333476209,4.892187701071707,5.612288150085912,6.318636961222016,7.001011232312759,7.653125690915031,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_20,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1440570779014197,0.6457450352172278,2.130202087825306,4.637551445315742,7.026343216698457,8.560601185069492,9.350789007789476,9.71638435755234,9.85291108905476,3.7391865762295184,0.478928603643793,0.019097448410266,18.274823858482115,6.662575604272806,10.746182107870649,1.3002781758360935,3.077600103932109,6.695374387016781,0.5407250935261799,7.403400852141548,0.3575717976159955,22.46275602717205,3.077600103932109,6.695374387016781,0.5407250935261799,7.403400852141548,0.3575717976159955,22.46275602717205,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,2.557968518065227,3.0257521483479697,3.5306443706597155,4.064268020926751,4.617329995506176,5.180911672467474,5.7472371550208505,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_21,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1433939434475818,0.6149795185075771,1.8615205347514847,3.981787685936176,6.109913067886031,7.522084635348596,8.260430578065394,8.604270804676975,8.733013873054894,3.2085309251537493,0.4641814993413898,0.0189865372182059,15.935622972641944,4.757667224733788,9.613562460472188,0.5785562333401334,1.344823333074605,2.949617416672729,0.2594450739722098,3.420383924852284,0.1141287778649158,11.437038512681662,1.344823333074605,2.949617416672729,0.2594450739722098,3.420383924852284,0.1141287778649158,11.437038512681662,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,2.707893826694451,3.1968015371390712,3.7212538988138335,4.2719760400379325,4.83917494531549,5.413770780796855,5.988074876020566,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_22,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1486400430417445,0.6611729145614396,1.845622290072348,3.686863621233653,5.555943928702535,6.827823655228956,7.502866115964412,7.81948348135344,7.938393534977552,3.0184704158607483,0.5002288968232562,0.0192045774843513,13.68201506796891,4.090880234817571,8.337268932242175,0.5391920612312169,3.008813920780885,6.554834283857707,0.5373996964313774,7.308011492231904,0.3351644893196062,22.57390914629199,3.008813920780885,6.554834283857707,0.5373996964313774,7.308011492231904,0.3351644893196062,22.57390914629199,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,4.917568609738067,5.3262210483408525,5.759656210837301,6.212372159070948,6.677900817687661,7.149896766580476,7.622781483355814,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_23,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1470478373376251,0.6524638577403977,1.837327582990012,3.761286805370779,5.768038855916061,7.143921245125841,7.875261185210811,8.218370538280578,8.347234099046677,3.0536378451584194,0.4939565534091737,0.0188011894037953,13.784251659815888,4.092422316772276,8.304429727572959,0.5328855384152804,1.5202457332269477,3.322334732616221,0.2816972236496812,3.7738235224243977,0.1483270569428393,12.117576989342949,1.5202457332269477,3.322334732616221,0.2816972236496812,3.7738235224243977,0.1483270569428393,12.117576989342949,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,5.039246116769048,5.447822968047153,5.880789095674895,6.332568418877414,6.796711377040784,7.266947387531151,7.737801814966335,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_24,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1452290165139916,0.6290121307609869,1.898281354886611,4.213136985274383,6.575346396599159,8.137995564146378,8.952391251427542,9.331021882124904,9.472690881950117,3.3583157439198867,0.4778747696898917,0.0185231999545489,16.581682936973298,4.846859042346435,10.064713028838131,0.7737087400917532,2.6922071246131174,5.924341772481646,0.5384414249226235,6.999738523994106,0.188454498722918,24.22986412151806,2.6922071246131174,5.924341772481646,0.5384414249226235,6.999738523994106,0.188454498722918,24.22986412151806,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,5.626692938174297,5.988034399829933,6.380010559532093,6.79604467197488,7.228780761668781,7.671186966341506,8.117177404544151,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_25,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1491319232570565,0.6655754768560074,1.931621770843148,4.085926600607405,6.362093012716421,7.924330835103003,8.75441555556256,9.143739210646316,9.289939829878156,3.2871369880316688,0.5021914569120682,0.0193471171095125,16.163967827145818,4.995735154972117,9.788878062474232,0.7471817166932057,3.0060114283594275,6.550858315651633,0.5388848019425001,7.317089843899429,0.333369823403314,22.69187899417788,3.0060114283594275,6.550858315651633,0.5388848019425001,7.317089843899429,0.333369823403314,22.69187899417788,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,4.902556573368599,5.311540111193498,5.743788934003727,6.194678103434423,6.658216402210482,7.128297501505245,7.599443149400976,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_26,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1460624204163957,0.6547668413580372,1.9983338110818665,4.348902263585427,6.72454268666894,8.300126213519865,9.123599052563172,9.507048869712625,9.650621048935983,3.4871444613646547,0.4925138475430981,0.0186422082475294,16.35359089901557,5.497443399852507,9.546066439480972,0.8398702548864353,2.4048259575232844,5.257326355582174,0.442458557409007,5.882694216054982,0.2310861403947532,18.986226498139057,2.4048259575232844,5.257326355582174,0.442458557409007,5.882694216054982,0.2294675637086962,18.986226498139057,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0660,5.0675409066550055,5.490973498377168,5.934563762624712,6.394019677888086,6.8637044031906935,7.337897658668499,7.811522519356279,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_27,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1453809985608576,0.6281844138382486,1.8007272014784748,3.853582811559752,6.013400468231126,7.487291030505263,8.268628828576052,8.634785489889794,8.772245104263236,3.0916201414904023,0.4788089016408712,0.0185079528057322,14.535203040008934,4.155739586335493,8.646451547400838,0.4073006521742444,2.548347626953105,5.535630428503117,0.4396654464442638,6.065258054996822,0.3095757805819713,18.035098871839377,2.548347626953105,5.535630428503117,0.4396654464442638,6.065258054996822,0.3095649601566991,18.035098871839377,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0660,5.125463277800474,5.530397983180039,5.95798909212469,6.403943792047892,6.8624816404729785,7.327660105318762,7.794145884062151,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_28,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407530017544517,0.4893181808735847,1.3918534396726434,3.0767821466180423,4.86480138159614,6.093473531567207,6.747934703133077,7.055384862023874,7.170928659395337,2.4488416400999347,0.3857590293026359,0.0201531127851731,10.242567012785845,2.716234594052632,6.495289578104108,0.2466641018135495,2.1535838819324664,4.671401614752929,0.3578355809376051,4.925914885531822,0.2746417851057928,14.33650446409952,2.1535838819324664,4.671401614752929,0.3578355809376051,4.925914885531822,0.2722753801464682,14.33650446409952,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0660,3.297678596950881,3.9541614581796782,4.635489902933789,5.32376933490072,6.004890948832262,6.668626052771775,7.308201561930391,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_29,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399002900678443,0.4938322717615356,1.4646097709753645,3.3522554804440063,5.388330678997909,6.79122124692879,7.538167580782384,7.888878091948267,8.020642642592454,2.642669268846096,0.3869829596382791,0.0199077630456148,10.639978500953855,2.9443967227612475,6.825017547531251,0.5106614039200613,3.290415636964181,7.137462152270745,0.5579206086179875,7.7537805059080815,0.4181338172903334,22.602364418438228,3.290415636964181,7.137462152270745,0.5579206086179875,7.7537805059080815,0.4181338172903334,22.602364418438228,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,3.1445368622296765,3.775441737366604,4.4360476837104255,5.108655715268469,5.778890656576849,6.436006230968703,7.072609217730181,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_30,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402957847517411,0.4809631453301573,1.286461882589636,2.7707225853269577,4.385063984510831,5.508516218974983,6.109608184124152,6.392435183795603,6.498786926086142,2.212950106077632,0.3820807837046384,0.0200290619634147,8.689067053304822,2.01082572675635,5.628710731234994,0.1562215457898704,2.2571873015260406,4.8926469892848905,0.3792645022710071,5.291303319694099,0.2933274074209496,15.262578651340297,2.2571873015260406,4.8926469892848905,0.3792645022710071,5.291303319694099,0.2933274074209496,15.262578651340297,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,3.35435009858871,4.0117803015935465,4.69416156973186,5.383385964359314,6.0651907948683945,6.729260012477357,7.368789421927016,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_31,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412366866088976,0.5005054057170137,1.4745267894215737,3.258973222925285,5.063582122324112,6.2584972535195975,6.88252862603789,7.173008554127666,7.281755203178514,2.603543463488348,0.3915475735818814,0.0202620597769039,10.270306753494015,2.891655432456116,6.607012562517055,0.5546367973529507,1.8808992419688544,4.09771700280874,0.3361224426418329,4.569878783103517,0.2067705827227035,14.124074775084026,1.8808992419688544,4.09771700280874,0.3361224426418329,4.569878783103517,0.2067705827227035,14.124074775084026,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0660,3.443488476616805,4.106331483704669,4.791470500856401,5.481260502926416,6.161923673615053,6.8235799507560095,7.459785688775745,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_32,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2426286294881747,0.9693946662486376,2.241131146757609,4.220898952977218,6.239395466997628,7.589501016371512,8.297193539299865,8.627050271292408,8.750597603252906,3.495638875403804,0.7694011685683529,0.0263262424360313,14.276745677855205,6.101208345453431,8.592607376891062,1.830238536343156,2.799838724632034,6.044955006256779,0.4463805362131423,6.370883014337173,0.4327969764917135,22.92680434742302,-1.66396663749939,-3.77788081099225,-0.4463805362131423,-5.235010927204528,0.1203306011425142,-22.92680434742302,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,8.905083451169821,9.567130401544071,10.23529763738994,10.90150793947395,11.558302542211068,12.199351056435376,12.819655126264776,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_33,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2259501046343364,0.9484328575580834,2.290144186535608,4.164234700330414,5.904042253434058,7.026179551639047,7.606876218879627,7.876239311274,7.976943900777178,3.506034638368868,0.7423256225141807,0.0243077374347363,12.615546789032136,6.0699057145189625,7.460984445018088,1.942920005068345,2.792936039399478,6.104866815446599,0.5183684156647111,6.9398833647171685,0.2799649864098507,24.332048510291614,-2.3907481172476337,-5.302099722831517,-0.5183684156647111,-6.537695442565322,-0.0828929045554467,-24.332048510291614,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,9.585546199746815,10.273250621151242,10.956447488671945,11.628386311630122,12.283050600542111,12.91555258320444,13.522252150479948,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_34,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2275178965869492,0.9460441736654452,2.2100954891262456,3.95873279550264,5.630359234261181,6.732731926738669,7.309710305508372,7.57873426598188,7.679528654562376,3.339283610604089,0.7434852325304859,0.024690755163388,10.828523474352568,5.528677701464379,6.349288131649658,1.817203537020116,2.729278107354461,5.95103435134495,0.4922272658539353,6.667096234185943,0.3027114863288105,23.490935853851013,-2.1929945511848925,-4.880682591949142,-0.4922272658539353,-6.130812678016375,-0.0418475997689438,-23.490935853851013,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,9.454592371537258,10.12940896564943,10.805467804396134,11.474881851245536,12.130514509059028,12.766498143179248,13.378391091953777,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_35,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3203519301914338,1.2094085564478472,2.81675723354252,5.228264281024068,7.520510939699175,8.99320004506578,9.75078047221639,10.100976898411176,10.231695713118237,4.367600362070207,0.9648882356530296,0.0392820904002714,19.00884936431304,10.215693204653368,10.214201274754414,2.469614200493159,2.806665475797126,6.12858920973635,0.5147687825543501,6.924815736231928,0.2942516397764563,24.32870303007263,-2.341022349746376,-5.199165530139052,-0.5147687825543501,-6.459172610181176,-0.0660865080115883,-24.32870303007263,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,8.587001045748012,9.56325804973696,10.493033221188012,11.369905362928018,12.19080792834677,12.9551205008984,13.663936681743015,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_36,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0966490410440031,0.7233721190613283,2.444189088704832,5.194344656448622,7.7948699249742575,9.475725507836906,10.346338034566058,10.750384212647132,10.901476709978896,4.215914451583045,0.5136234733647155,0.0033672400342658,21.888399246129744,8.68212894198888,13.161676390833026,2.0717643518786404,1.0822454766936596,2.380120383782325,0.2150635655498647,2.802754001092577,0.0786667959251773,9.712498694465593,-1.0683901788049872,-2.352465209196534,-0.2150635655498647,-2.7888987032039045,-0.0718776999597277,-9.712498694465593,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,7.088997858850314,7.934671694002951,8.768585831426504,9.584421334874143,10.37671161973943,11.140951217642474,11.87367604048828,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_37,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0972158802321124,0.7376259721907875,2.44712097784163,5.033387247127161,7.407693546671409,8.92787763727959,9.713358170199658,10.077667556717712,10.213876791672469,4.126289219763276,0.52272366766063,0.003373563773153,20.12695990405701,8.103013581141955,12.076875485256528,2.068802215776516,1.4966994577010848,3.293564985043037,0.2993398915402169,3.8914185900228206,0.1047689620390758,13.470295119309764,-1.4966994577010848,-3.293564985043037,-0.2993398915402169,-3.8914185900228206,-0.1047689620390758,-13.470295119309764,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,7.552582493041426,8.339799372507063,9.11780409868517,9.882804852176294,10.630311109757548,11.355885504429958,12.055655683274232,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_38,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.097234281188189,0.7368216530427977,2.441924767421219,5.078194734781401,7.568495408387912,9.18849647515221,10.03123133656637,10.4231782644735,10.56988112932902,4.143617621655135,0.5224753916579183,0.003375269053817,20.79046580142609,8.207463346558669,12.53199210880478,2.060385196878709,1.279476822790898,2.815350081028178,0.255696336112308,3.325047511689362,0.0899365559313718,11.51131083620065,-1.277486538332183,-2.8113807572179392,-0.255696336112308,-3.3230572272306467,-0.0890508793472436,-11.51131083620065,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,7.550273123420887,8.3388195427623,9.118413804596289,9.885012711231422,10.633987681056803,11.360835400735226,12.061661700205038,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_39,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4276323850683313,1.3982963126252572,2.7544464201055545,4.634889283505397,6.55218983440406,7.865201809822797,8.56398273521012,8.892098626205438,9.01538114839097,3.953477353070647,1.153907599263805,0.0568852361092977,14.243839082515086,8.451790067502444,7.300037114304817,2.1409443056274085,3.699591696590875,8.141143907116446,0.7399183393181751,9.618938411136275,0.258971418761361,33.29632526931787,-3.699591696590875,-8.141143907116446,-0.7399183393181751,-9.618938411136275,-0.258971418761361,-33.29632526931787,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,12.531797880469837,13.221877723025605,13.865258138184023,14.465155564219971,15.023922948260294,15.543616960712829,16.026287443121127,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_40,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.427444408927523,1.397425066997665,2.7784866339410987,4.797772261568869,6.901508605231969,8.346371294357615,9.11510879487165,9.47593366301323,9.61147873269026,4.05692262796911,1.15320477599151,0.0568463001214278,15.514174025564222,8.904687224073827,7.911988567229963,2.169736100916647,3.6856170066990286,8.110391875325561,0.7371234013398058,9.582604217417474,0.2579931904689317,33.17055306029126,-3.6856170066990286,-8.110391875325561,-0.7371234013398058,-9.582604217417474,-0.2579931904689317,-33.17055306029126,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,12.514698471798736,13.21669451748569,13.867210925273168,14.471152924751474,15.031983278275602,15.55248791149835,16.035195277275708,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_41,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1569098695124769,0.791647073738911,2.057399656421909,4.0615257586301095,6.060678257609009,7.39235974466707,8.091473893387578,8.417812203828843,8.540133491430712,3.334345498329794,0.6077708919065724,0.0097839717394117,11.653841675854808,5.906095249219091,6.356875970513373,1.481976654679111,2.273427982181395,4.776399312631442,0.2320380192006668,4.094931723719148,0.5711284609149757,15.903499058717564,-0.0286362034739149,-0.2894126352407211,-0.228374817930395,-1.8940983602549293,0.4083355273474817,-15.819245429501311,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0660,6.463417647439224,7.247122120457645,8.029706057035217,8.803772691485127,9.56339390605744,10.303684256666363,11.02065534213374,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_42,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1008511795529955,0.7340155884900449,2.3119910201981844,4.634430069092436,6.777835865956424,8.159113994209354,8.875001923668469,9.207453996920522,9.3318144105545,3.8200043484952895,0.5258057921630382,0.0036218053168492,15.265600876639134,7.154114132385091,8.764053872532775,1.936235710008137,1.1585098051124867,2.539820917103269,0.222448751493372,2.9380998170594634,0.0984454542249839,10.241524055429874,-1.065977709821234,-2.35527953285916,-0.222448751493372,-2.84556772176821,-0.0572686718203763,-10.241524055429874,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,7.873449176715136,8.604238449395272,9.333394952125468,10.056787692823688,10.769242459723948,11.465521479779303,12.1409505631992,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_43,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177989781783035,0.9159243518158192,2.237127324972188,4.242279584784239,6.260093533655182,7.622937404988117,8.34359784100393,8.681071556226396,8.807732363235163,3.515883195852602,0.7172988306717455,0.0233298462515786,13.19852949410648,6.247131027992616,7.700402748121687,1.8212348429524745,1.898573792841088,4.177910356984041,0.3797147585682175,4.936291861386828,0.132900165498876,17.08716413556979,-1.898573792841088,-4.177910356984041,-0.3797147585682175,-4.936291861386828,-0.132900165498876,-17.08716413556979,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,9.450022957607745,10.228265649967277,10.978247547407276,11.697545988553118,12.384378706775626,13.03757478085288,13.656550120677103,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_44,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169187484984448,0.9141526062323976,2.210181793380023,4.168396336566025,6.19679721358153,7.599704668340453,8.350605135264134,8.704169492723626,8.837170697452468,3.453767780554656,0.7161151316600264,0.0230637740744295,12.813984723767428,5.957828261360301,7.668126689927697,1.7781746274952703,1.7990796315577553,3.957955382547943,0.3588334927408399,4.669747573484476,0.127777637154126,16.172068012605575,-1.7892552958506442,-3.9383622186304654,-0.3588334927408399,-4.659923237777365,-0.1234058077644616,-16.172068012605575,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,9.517792558994133,10.28519452090005,11.025802639312058,11.737077557744708,12.417080867870029,13.064478326159152,13.678532858414773,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_45,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1552063959902313,0.7768678659170423,1.906552644191016,3.5505489097215714,5.175891652434647,6.264214160642063,6.837383195624471,7.105304152835559,7.205785045305181,2.959610626295659,0.5991927311215841,0.0097415003633461,8.901290584098435,4.360170597098161,5.071982588870372,1.280262189484143,2.0971469320057894,4.370953560795597,0.1747184725705963,3.402489745594089,0.5909700394393367,13.702889210511463,0.398596399445337,0.6332047892686284,-0.1649916339414942,-1.0234684776921894,0.4676944247770092,-13.479171922042116,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0660,6.796591642980838,7.551539617326624,8.307094870663684,9.056120216875554,9.792732828039991,10.51198962761636,11.20980046466768,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_46,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0999262950975892,0.7291514587465644,2.27898605353842,4.511548996997494,6.5251315761387865,7.79914020997885,8.452540507422775,8.7544449904748,8.867135209114041,3.734588947318327,0.5223803866791246,0.0035747037099327,14.402107619747934,6.886421543717931,8.238279872486142,1.86650108605556,1.3680359188415148,3.0052649329500243,0.2685934163669108,3.5167832497768017,0.1051633281965161,12.21204792154579,-1.3178982448275938,-2.90527286278036,-0.2685934163669108,-3.4666455757628807,-0.0828520632603212,-12.21204792154579,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,7.906713578997864,8.6451723909574,9.380252713544088,10.107863659692766,10.823007004244175,11.520683060286386,12.196468944836337,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_47,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170428596308605,0.9158464339748672,2.243529476118078,4.211667239523107,6.117204284968409,7.370628261875931,8.02462506396424,8.329027311086467,8.442987297183889,3.5078505795955373,0.7166257556517545,0.0231581208124743,12.825866342463192,6.487347941727185,7.205176721378718,1.852828271035952,2.5583343523980013,5.629747775838127,0.5116668704796002,6.651669316234803,0.1790834046678599,23.025009171582013,-2.5583343523980013,-5.629747775838127,-0.5116668704796002,-6.651669316234803,-0.1790834046678599,-23.025009171582013,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,9.469542861760464,10.24064815711517,10.984551650773197,11.698782118536752,12.38147862150643,13.031366735206516,13.64774854919926,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_48,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217838922393653,0.9161489716142412,2.2589666050291486,4.317865713540226,6.346908149563653,7.685597000117394,8.383733438204889,8.708476219133088,8.830010718639127,3.5746827032648225,0.7171298069396109,0.0233986228390694,13.53396855742464,6.657179523383511,7.733523497680163,1.8752723163872007,2.5423507872131967,5.594575109503573,0.5084701574426392,6.610112046754311,0.1779645551049235,22.88115708491877,-2.5423507872131967,-5.594575109503573,-0.5084701574426392,-6.610112046754311,-0.1779645551049235,-22.88115708491877,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,9.449360927881242,10.223996679890096,10.97180813344125,11.68991348553446,12.37621673486661,13.02932749172056,13.64850681437558,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_49,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2426072188816401,0.969364976259532,2.2411117779732304,4.22088385520343,6.239368138148256,7.589460563529078,8.2971451962317,8.626998062500471,8.750543918885061,3.495624701176032,0.7693715258572335,0.0263201735233856,14.276533903921807,6.101152894984023,8.592442163676228,1.830210687459013,2.799893064940165,6.045075972492072,0.4463927555490193,6.37103510933232,0.4327980935182908,22.927320435681214,-1.664034490550028,-3.778028737596984,-0.4463927555490193,-5.235176534942183,0.1203231646339776,-22.927320435681214,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,8.90506311770063,9.567111392709842,10.235279730307465,10.901490891790951,11.558286146149165,12.199335155761064,12.819639614914166,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_50,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2259602379880916,0.9484383194845584,2.2901294649475807,4.164202239197391,5.903993504519522,7.026116421645449,7.606804154320563,7.876162743646228,7.976865590885183,3.506007568296895,0.7423336371865042,0.0243115382059998,12.615156670380037,6.069824698318615,7.460721969860936,1.942936693990717,2.7930060852401537,6.105021439088174,0.5183828981861107,6.94006927072904,0.2799688955768428,24.332688389922986,-2.390822896620953,-5.302263794604248,-0.5183828981861107,-6.537886082109839,-0.0828991331534343,-24.332688389922986,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,9.58555487874544,10.273265774364582,10.956467670966704,11.628410269638826,12.283077276626075,12.9155811051836,13.522281813268645,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_51,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2275319236102941,0.9460726024927212,2.2101240931624506,3.958759544132619,5.630384429585376,6.732754929065662,7.3097316553265985,7.578754718403198,7.679548749586452,3.339310784343051,0.7435117784525003,0.0246933251942627,10.828627538496276,5.528794525630295,6.349318104356801,1.817224933976656,2.729345833690608,5.95117624633531,0.4922338535335477,6.667216661958991,0.3027301728756905,23.491406239124,-2.192992701644869,-4.880685662274247,-0.4922338535335477,-6.130863529913251,-0.0418335245977925,-23.491406239124,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,9.454598265108178,10.12941467330031,10.805473015482477,11.474886384493695,12.130518282338771,12.766501143618358,13.37839335135438,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_52,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3203244338655003,1.2093286233839309,2.8166282939954232,5.228068337956413,7.520249374893072,8.992897458979717,9.750457429031783,10.100644571226066,10.231359949847873,4.367428855425453,0.9648193192964388,0.0392783883766549,19.007399589629696,10.21490850389501,10.213423682392351,2.4694149122812936,2.8066789649635115,6.128617536562077,0.5147701537945417,6.924840195319845,0.2942553698635832,24.32879790070839,-2.3410225729819047,-5.199167378166788,-0.5147701537945417,-6.459183803338237,-0.0660837377925956,-24.32879790070839,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,8.58704540421671,9.563300602647852,10.49307448755942,11.369945655178684,12.190847395814489,12.955159182504476,13.66397455116137,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_53,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0966339825520442,0.7232936278075836,2.444019595329382,5.194119234997482,7.7946241159579,9.47547479032746,10.346086674425749,10.750132945865102,10.901225538904718,4.215702893976864,0.513563238928124,0.0033665633986425,21.887105466859584,8.681218073985903,13.161062357061867,2.071481152295809,1.0823362734826036,2.38032244365647,0.2150839315041584,2.803007725515871,0.0786685178477428,9.71335999749619,-1.0685030415589811,-2.35271131273692,-0.2150839315041584,-2.7891744935922484,-0.0718902342051678,-9.71335999749619,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,7.089028384638525,7.934703318318032,8.768619186928627,9.584456703972933,10.376749014254102,11.1409904633217,11.87371685085219,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_54,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0972042840887232,0.7375627056745956,2.4469884608042185,5.033235344232868,7.407566394474545,8.92777781745577,9.713274725621746,10.077592111222607,10.213804395101857,4.126136778595485,0.5226754127346157,0.0033730394287031,20.126269918872364,8.102394859687308,12.076579858499631,2.068578975991167,1.4966821151710863,3.2935268219039644,0.2993364230342173,3.891373499444824,0.1047677480619759,13.47013903653978,-1.4966821151710863,-3.2935268219039644,-0.2993364230342173,-3.891373499444824,-0.1047677480619759,-13.47013903653978,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,7.552538816031868,8.33975945947146,9.117767891634944,9.882772139181547,10.630281606077403,11.355858901160548,12.05563167504636,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_55,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0972310661741515,0.7368043248082632,2.4418858185311385,5.0781236028557135,7.568386300770072,9.188360952705906,10.031082003100384,10.423022535633898,10.569723014131895,4.143559005277336,0.5224621324742176,0.0033751232182143,20.7899541955096,8.20718822728198,12.531732771269263,2.060313743104172,1.2795156646853842,2.815434713261883,0.2557032884226019,3.3251419720661994,0.0899408049926173,11.51164409187896,-1.2775172195406348,-2.8114491141874525,-0.2557032884226019,-3.32314352692145,-0.0890514969032038,-11.51164409187896,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,7.550322046900499,8.338867495520269,9.1184621911505,9.885062328856131,10.634038862722957,11.36088815583446,12.061715833477026,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_56,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4275862840075536,1.3982042554623346,2.7543225554022097,4.634746338981361,6.552037965329747,7.865044579390248,8.563822458635096,8.89193684679905,9.01521879107403,3.953339195748729,1.1538238628349162,0.0568748884016071,14.243129542695982,8.451188599473339,7.2997346396041,2.140750295906917,3.699645254510855,8.141261764104371,0.739929050902171,9.619077661728223,0.2589751678157596,33.29680729059769,-3.699645254510855,-8.141261764104371,-0.739929050902171,-9.619077661728223,-0.2589751678157596,-33.29680729059769,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,12.53176269599304,13.221852602757554,13.865240967369104,14.465144671929576,15.023917000114675,15.543614888005088,16.026288390851658,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_57,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4274366838012093,1.397404426109865,2.7784436557562366,4.797691413706971,6.901387869975998,8.346224374748344,9.114948460973336,9.475767161638489,9.61130993588016,4.05685596636966,1.1531874043309152,0.0568448776672612,15.513670794116337,8.904363583176213,7.911729688289053,2.169673360144655,3.685614134338506,8.110385554546866,0.737122826867701,9.582596749280114,0.2579929894036951,33.17052720904655,-3.685614134338506,-8.110385554546866,-0.737122826867701,-9.582596749280114,-0.2579929894036951,-33.17052720904655,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,12.514761547901252,13.216754638385964,13.867268762110102,14.471208812225228,15.032037354842624,15.55254021231956,16.03524579186946,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_58,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1569337550612552,0.7916683274754275,2.057348150312768,4.061394690908167,6.0605038390176045,7.39216626000644,8.091272348790177,8.4176072563763,8.539927321226909,3.3342374940716883,0.607798655667553,0.009788219300605,11.652920511513337,5.905738697303839,6.356348999326498,1.4819164435363206,2.273427633228695,4.776387974664824,0.232023886294434,4.094774984816725,0.5711480289661038,15.903084675729833,-0.0284724198380446,-0.2890627909112968,-0.2283561243189138,-1.8938329151323177,0.4083645323624481,-15.818726150292866,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0660,6.463473481948013,7.247177436302001,8.029759757255126,8.803824116922499,9.563442695768616,10.303730249385756,11.020698508059953,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_59,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1008327566842798,0.7339468063623508,2.3118728471394703,4.634261484767086,6.777637019413006,8.158906595103886,8.874793484002492,9.207245834257034,9.33160647266479,3.819851934296661,0.525748625629609,0.0036206949205961,15.26474072665609,7.153452989462534,8.763675340146488,1.936017696530812,1.1585727141231708,2.539952135397739,0.2224543340861807,2.9382073868126173,0.098462981373222,10.241950252339468,-1.0659706267386366,-2.355271162422393,-0.2224543340861807,-2.8456052994280823,-0.0572550524871043,-10.241950252339468,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,7.873434096073615,8.604230673633548,9.33339447935363,10.056794121706472,10.769255131570253,11.465539599700511,12.140973291692056,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_60,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177624117266614,0.9159108740230912,2.237125296165575,4.242260369246616,6.26007099865362,7.62292114144823,8.343587051445219,8.681063768352706,8.807725768879584,3.5158694018280725,0.7172781656773388,0.0233141600854915,13.198348093382108,6.246963057982982,7.700382108345557,1.821202665421547,1.898389332601972,4.177504442635936,0.3796778665203944,4.935812264765128,0.1328872532821379,17.085503993417746,-1.898389332601972,-4.177504442635936,-0.3796778665203944,-4.935812264765128,-0.1328872532821379,-17.085503993417746,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,9.450059958479942,10.2283014993015,10.978282318457572,11.697579716452225,12.384411400913528,13.03760643731782,13.65658073130521,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_61,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169097286342895,0.9140940450858808,2.210091550812032,4.168304834434615,6.196717317714096,7.599634347601702,8.350540043417077,8.704106862497154,8.837108991811759,3.4536741027963025,0.7160671193360929,0.0230677207451911,12.813549310651553,5.9575281727826495,7.667914817800431,1.7780535833760838,1.799121773669415,3.958048378057676,0.3588421729566918,4.669859157322949,0.1277801149890922,16.17245232748091,-1.7892999558975038,-3.9384602357842646,-0.3588421729566918,-4.660037339551038,-0.1234094060805917,-16.17245232748091,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,9.517820261163664,10.285223929498647,11.025833023692192,11.73710834389794,12.417111615766355,13.06450870544739,13.678562626353289,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_62,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1551530154016255,0.7767402069666413,1.90640694911869,3.550403677155052,5.175745607619091,6.264067256121073,6.837235880976448,7.105156668099069,7.205637500982818,2.9594652662329617,0.5990765941824004,0.0097358258391018,8.900834382463819,4.359707844250112,5.071793432973963,1.280072094909564,2.097238103378702,4.371161797988603,0.1747455755634228,3.4028146708826155,0.5909624791081329,13.703937917151558,0.3984076303778779,0.6327970029656944,-0.1650205190367419,-1.0238696154462066,0.4676680705610692,-13.4802616170379,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0660,6.7965010965417125,7.551477393437335,8.307057946215883,9.056105033308386,9.792735727621274,10.512007138110318,11.209829460334712,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_63,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.099908877219173,0.7290968475501429,2.2789156765153,4.511471450745475,6.525031889023177,7.799018706321898,8.452405888462788,8.754303925030426,8.866991678758234,3.734515478267228,0.5223330247306467,0.003573501793302,14.401742451444983,6.886145633095774,8.2380240035425,1.8663903991338344,1.3680529735651594,3.0053090025818765,0.2686031704369507,3.516878337060765,0.1051526286672132,12.212328276564811,-1.317978730804348,-2.905443436531852,-0.2686031704369507,-3.4668040942999543,-0.082869590638652,-12.212328276564811,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,7.906758924222086,8.645216591179771,9.380294749391227,10.107902873450676,10.82304301808064,11.520715711801646,12.19649823134919,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_64,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170994935278156,0.9159590739137652,2.243601145440716,4.211625328853287,6.117083285349768,7.370473184056535,8.024456941486033,8.328854102785687,8.442812337115198,3.5078468861994803,0.7167314964328859,0.0231692301337013,12.825339940571784,6.487339716748287,7.204906055953498,1.8529502597184089,2.5585237399014646,5.630164532887648,0.5117047479802929,6.652161723743808,0.1790966617931023,23.02671365911318,-2.5585237399014646,-5.630164532887648,-0.5117047479802929,-6.652161723743808,-0.1790966617931023,-23.02671365911318,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,9.469509678339266,10.240608296265629,10.98450631056995,11.69873241117449,12.381425564184202,13.03131123840655,13.64769141004515,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_65,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178029130320893,0.9160403114134515,2.258800001572869,4.317680741463882,6.346730937701802,7.685430317286213,8.383573257187907,8.708319248323841,8.829854976647324,3.574499505662597,0.7170366949378548,0.0233957094336189,13.533345224442746,6.656510222635147,7.7332563391672124,1.875014977894038,2.542457916891136,5.594810853930623,0.5084915833782271,6.610390583916954,0.1779720541823793,22.88212125202022,-2.542457916891136,-5.594810853930623,-0.5084915833782271,-6.610390583916954,-0.1779720541823793,-22.88212125202022,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0660,9.449367131504358,10.224000773112223,10.971809521888376,11.689912057190218,12.376212641012112,13.02932101534399,13.648498291951697,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_66,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.093816429325881,0.629402570971152,1.90729365637322,3.766629600397706,5.572872012030281,6.77865347022038,7.413454808843302,7.710178278423254,7.821462187169413,3.104789231835828,0.4538061799145659,0.0044164233813571,11.443595070768664,4.274110227544329,7.062456582102563,1.0399816960424086,6.45250132393273,14.18728228494764,0.6100226703516525,4.125518770222544,0.7311748548544672,21.5460175179589,3.0316054428438948,6.930382641110332,0.1907733203731703,-3.850565896781382,-0.6211937054780026,3.4012791516138066,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0660,10.256287269955871,10.960094999549865,11.662799827966245,12.35611446331012,13.032488080777922,13.685764424680947,14.311380299564274,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_67,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1179180641725379,0.8511042249673275,2.6331429987805874,4.9869919173099415,6.990606438789668,8.23287904331756,8.866292779843791,9.158446018087432,9.267433367469147,4.189798100804751,0.6071235479147172,0.0048941802255582,17.432384713234857,8.609648586466665,9.946407024924648,2.532026944895477,2.5564166664827868,5.420975808262031,0.3112833332965573,5.046683332855245,0.598949166653795,15.894916665379506,-2.5564166664827868,-5.420975808262031,-0.3112833332965573,-5.046683332855245,-0.598949166653795,-9.007749998345082,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0660,9.295844437872026,9.944449857108683,10.59283997764477,11.239262946240244,11.879544939605598,12.508671059178717,13.121795090928408,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_68,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0938278587697328,0.629432184164757,1.9073256874022533,3.7666535689906,5.572886542898534,6.778660666610369,7.413457735191983,7.710179107165239,7.821462212308365,3.1048163395228463,0.4538328703984907,0.0044174054711723,11.44364867347408,4.274197652419953,7.062453236137419,1.0400156292121494,6.452514409936978,14.187313169658632,0.6100201119475166,4.125433754918928,0.7311745793657728,21.54587621776429,3.031687363661028,6.930564975710924,0.1907845047856148,-3.850485073751935,-0.6211951068989754,3.401708525453247,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0660,10.256265500770697,10.96006843984612,11.662769221117392,12.35608052206901,13.03245148698834,13.685725816333331,14.311340257226696,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_69,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.11791388596735,0.8510821153770509,2.633082545596912,4.986880039910266,6.990453135642723,8.232701642918897,8.866103481560824,9.158251305689946,9.267236646069495,4.189703518963791,0.6071069661419864,0.0048939240859561,17.43143359807796,8.609228288023763,9.94586355233776,2.5318873305078986,2.556374957997303,5.4208840265708815,0.3112749915994606,5.046574890792988,0.5989462470598114,15.894624705981125,-2.556374957997303,-5.4208840265708815,-0.3112749915994606,-5.046574890792988,-0.5989462470598114,-9.007374621975728,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0660,9.295882767507948,9.944481014759765,10.592865595169826,11.239284348917346,11.87956317188208,12.508686923011934,13.121809188726198,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_70,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.066224889402399,0.3927865332918451,1.4279768292120456,3.3948850208916324,5.43927735949355,6.808345231825285,7.526243517584145,7.860931427078388,7.986301622508796,2.6638540562760227,0.2821821429831125,0.004360567090538,10.696823319924038,3.442242722464966,6.444743096693221,0.5059731346900317,8.346691073155874,18.30918123903184,0.8860189469607833,8.0329811673427,1.1261857101360269,29.977557718692022,1.2321884911375212,3.1913105888111777,-0.0152117138432017,-8.0329811673427,-1.1261857101360269,-1.5655154094474537,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0660,14.773379939091908,15.545304508623175,16.238506330477282,16.862767421535402,17.426486854287813,17.93681184130719,18.399827171261347,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_71,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692998443530732,0.3843553104447223,1.3360392212116663,3.212679531621565,5.232800708651881,6.609831512731406,7.337629524077381,7.678089871376043,7.8057994722789505,2.505268247365174,0.2809070023460602,0.0047895074956938,9.739085911872698,2.9000285405966264,5.996389174040322,0.5032616610952109,8.236571845865583,18.11395524616549,0.8286912100189588,6.639727742056187,1.0817355515688891,28.117442043036817,2.409323639260506,5.781531417144393,0.1391174704470493,-6.639727742056187,-1.0817355515688891,3.98236115801998,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0660,14.86511757522346,15.612364238660687,16.28014096139851,16.88030726405315,17.42231411794821,17.913747017173428,18.36076681151449,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_72,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0602268328695447,0.3769404368187758,1.3110206057719165,2.8975583904072177,4.478416784061767,5.53314933421923,6.087801432796435,6.3469413271022335,6.4441134032074805,2.3220626974801624,0.2696879294371623,0.0035716350921759,7.394161254487042,2.354192226155715,4.591889087374344,0.424871102332455,7.442562006620595,16.230473602243045,0.8135762111637231,8.532618810749938,1.1065969030725022,28.606873097816383,-0.4303170963870802,-0.4909799197759082,-0.1760994011424947,-8.532618810749938,-1.1065969030725022,-6.03177333290124,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0660,13.977810928885438,14.830493050885831,15.604097093772204,16.304839602057662,16.93911861720599,17.51316790071339,18.03287031554894,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_73,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0735954239552142,0.3686870366395051,1.2679238083094873,2.948195674358061,4.653025238472395,5.787737042526333,6.382790840488129,6.660408997734157,6.7644459539777,2.3304423628134767,0.2733211402912374,0.0055818989698471,7.893261777153789,2.417191398672058,4.906594165887019,0.3615781195936936,6.384172247500946,13.740160175746384,0.7731854790384114,10.488505366803128,1.1306679538509965,28.615504222731907,-3.690918383611978,-7.69495600523931,-0.5283442186848689,-10.488505366803128,-1.1306679538509965,-16.938035197582906,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0660,16.12935901727735,16.712189239745744,17.237801143084262,17.715002438437068,18.150616591995025,18.549977071432828,18.917306995399475,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_74,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0662453979272604,0.3928290518934834,1.42800783634938,3.3948615596476954,5.4391860320260825,6.808206418697511,7.526079582981119,7.860755763161063,7.986121564137583,2.663852868814325,0.2822220612713008,0.0043632875633894,10.696182251836408,3.4422148482421773,6.44427313079255,0.5059998249377934,8.346902012100959,18.30964788077841,0.8860363572345955,8.03305494130841,1.1262127086083549,29.978173350265305,1.2323353073534455,3.1916469545420507,-0.0151966009205586,-8.03305494130841,-1.1262127086083549,-1.56498018516509,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0660,14.774108519000226,15.54595527785913,16.23909061669955,16.863294720150474,17.42696504427974,17.937247449226216,18.400225619382244,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_75,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0693150382117988,0.3843865508279657,1.3360701974278628,3.212698827325365,5.232808339180861,6.609833583625185,7.337629532992793,7.678089123770586,7.805798474816152,2.505292210275144,0.2809361337826972,0.0047916292405746,9.738994791949798,2.900059827386837,5.99631826280407,0.5032894634707731,8.236445726203883,18.1136653701788,0.8286733475689343,6.639655717946922,1.081737956247443,28.117124319382487,2.4091948240188,5.781249073199662,0.139112156996764,-6.639655717946922,-1.081737956247443,3.9824826493565273,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0660,14.863453007283674,15.610893772458608,16.27883539125075,16.87914216789061,17.421269174556134,17.912805338517522,18.359914344130825,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_76,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0601664103525636,0.3767951783275549,1.310829947216433,2.8973533429246707,4.478203820614005,5.532931498996847,6.087581193190414,6.346720011178449,6.4438916921236284,2.3218611108739697,0.269558455306469,0.003564357167221,7.393324336323171,2.3538375188560474,4.5914153786858005,0.4247777134526034,7.4425027187343,16.230341711857974,0.8135734844480016,8.532644620337766,1.1065886592555525,28.60674645852592,-0.4303961641712393,-0.4911585787554022,-0.1761092522149961,-8.532644620337766,-1.1065886592555525,-6.032149324678996,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0660,13.978290560407086,14.830931407634122,15.60449981785791,16.305211264132232,16.939462948492842,17.51348797113611,18.033168675615908,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0660_77,RSM0660.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0736076630497928,0.3686968410848587,1.267881523253069,2.9481137381178715,4.652935585474771,5.787649276385928,6.382705199422607,6.660324528225903,6.764361947801683,2.330369290343535,0.2733359629261034,0.0055837871800503,7.89285387998321,2.417043032333877,4.906370194981894,0.3615796464640655,6.384064597636335,13.739912835156948,0.7731754555096997,10.488537780117175,1.1306660531977182,28.61531578446918,-3.691095764981708,-7.695348437984897,-0.5283601070865518,-10.488537780117175,-1.1306660531977182,-16.938428906399622,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0660,16.12929835697025,16.712099813608116,17.237691233662453,17.71487770429201,18.15048112808379,18.54983399103488,18.917158751412664,Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn]nbo.cat0,"linker Cc1c(C)c(Cn2cncc2)c(c(c1Cn1cncc1)C)C, [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Zn], topology nbo"
RSM0423_0,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.002534110942304,0.1705046244093107,1.2151884263969894,3.2905140374777218,5.328481760062982,6.633680555097982,7.302348018336684,7.610771059894776,7.725787658783246,2.531348956204296,0.0889841521723958,1.304205627722471e-06,8.978650336491418,3.287836626548612,5.164993747422521,0.4016639415246687,23.167498895492585,51.73617965712887,2.0279164825820986,3.223331860656787,1.3665501546310377,52.11665930328393,-23.167498895492585,-51.73617965712887,-2.0279164825820986,2.609169243850621,1.3665501546310377,-52.11665930328393,-23.0,-51.37329999999999,-2.0,3.0,1.39,-51.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM0423,20.835195717235795,21.191002790308254,21.46806321439302,21.687711647101995,21.864605957026868,22.009056458450484,22.12847079739504,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_1,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0024975559381118,0.1692471290978475,1.2064487950498013,3.271326063178073,5.304847803431701,6.6092453466092,7.277960260767171,7.586494007784037,7.701565200536228,2.5151649985429616,0.088282425735899,1.260602120400071e-06,8.882539532454699,3.2558137117493464,5.108861626673432,0.3991764834107271,23.163544639478943,51.72761291964554,2.0272574399131567,3.2180595193052506,1.367103750472949,52.09029759652626,-23.163544639478943,-51.72761291964554,-2.0272574399131567,2.618395841215812,1.367103750472949,-52.09029759652626,-23.0,-51.37329999999999,-2.0,3.0,1.39,-51.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM0423,20.6645517807607,21.046941547300783,21.345040586955125,21.581569151346475,21.77218071529332,21.92790946362143,22.05669637548001,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_2,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0135705657098259,0.2939960233064966,1.1811243872072703,2.4085252037090905,3.481576563073302,4.153890381599347,4.497803812536164,4.656594090235928,4.715851663028556,1.987862051095092,0.1837154657085082,5.095930548129592e-05,3.7253029112810734,1.756240177968322,2.28459562798124,0.4773455142948526,21.986665666417363,46.65732474086243,2.0012124747676503,4.025459081259132,0.6490800204675545,48.151544901648656,-21.986665666417363,-46.65732474086243,-2.0012124747676503,4.003634535441432,0.6490800204675545,-48.151544901648656,-21.0,-44.6867,-2.0,5.0,1.13,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0423,17.52557839543368,18.23714247646237,18.83865640365488,19.34788733793629,19.780367865797626,20.14921338353601,20.465289316444395,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_3,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0136574250769766,0.2948593486676564,1.1823645693108653,2.414927710499237,3.508573623957279,4.203584411035845,4.562056782711868,4.728228662601692,4.790346169331334,1.990863371732399,0.184354770415673,5.160448527358574e-05,3.809744680248581,1.7685328641497542,2.346264844325046,0.4789920209263228,21.969949066987265,46.62588526777736,2.003096454760445,4.0610154806171845,0.6612275121731747,48.36700649829482,-21.969949066987265,-46.62588526777736,-2.003096454760445,4.005279294929177,0.6612275121731747,-48.36700649829482,-21.0,-44.6867,-2.0,5.0,1.13,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0423,17.537658079993072,18.24734304622871,18.84738670411748,19.35544319946622,19.786969884354107,20.15502996161499,20.47045146575662,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_4,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1429880729017201,0.5163616148974877,1.5912834468442254,3.6394673234936255,5.686759009821452,7.015542519384371,7.701025653779211,8.018214162144524,8.136657473848253,2.886299639365226,0.4015274026184888,0.020638920728115,10.811758064283987,3.771914120573511,6.584047760719816,0.7925367564920703,4.432809691775051,9.700661444808878,0.8049334171263294,10.509732324248658,0.418184929542756,34.405723176109774,4.432809691775051,9.700661444808878,0.8049334171263294,10.509732324248658,0.4086897110905957,34.405723176109774,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0423,3.448970004780436,4.07634003576942,4.724227133571682,5.378025700538651,6.025971515083046,6.65928178372567,7.2719135394599475,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_5,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408021140439503,0.4818186427566199,1.312438739277806,2.8351770496599444,4.413678862551385,5.471714936447024,6.026832398603926,6.285693099138068,6.382668393823337,2.27063753784119,0.3825402402605452,0.0201792380764974,8.246006323689373,1.9435063730726367,5.536747696428422,0.2421258379337603,4.185978594685567,9.126781515657266,0.7508682849848463,9.983834541711248,0.4412499269719287,31.72049711816273,4.185978594685567,9.126781515657266,0.7508682849848463,9.983834541711248,0.4383624890420527,31.72049711816273,27.0,57.68546,3.0,14.0,0.8399999999999999,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0423,3.846182796358637,4.5453156077880905,5.2553658376529295,5.959741031957921,6.646318678364411,7.306999521327213,7.936996450495021,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_6,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406658655753253,0.4712360384434306,1.150461450093573,2.240641574226557,3.356441453187947,4.117234472955583,4.521384787379813,4.711026979481956,4.782263120210128,1.8429201947636256,0.3780480547148992,0.020162244721286,6.2638016739628615,1.1011292278672264,4.4138579239069164,0.0578716545147722,2.6157734924895504,5.7224955498365375,0.4902574451315375,6.537833053541851,0.252078037761699,21.23915369675987,2.6157734924895504,5.7224955498365375,0.4902574451315375,6.537833053541851,0.252078037761699,21.23915369675987,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0423,3.800276484625355,4.490422739946796,5.1942749969703375,5.894874131813667,6.579640616411027,7.240033857696351,7.870883518148721,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_7,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407607714256228,0.4926141008811335,1.3075036894077647,2.683088250273332,4.074459938023354,5.006709188555023,5.497124333594771,5.726203318678128,5.812089883497007,2.1808088935843264,0.3893952384889111,0.0200544882947641,6.964062004029554,1.7621401776453076,4.717978256624318,0.2938635910833204,3.4492777303965823,7.551182095654064,0.6453616334111509,8.533892479494103,0.3211693143525555,27.977383693297263,3.4492777303965823,7.551182095654064,0.6453616334111509,8.533892479494103,0.3191191679237257,27.977383693297263,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0423,3.3797611675193826,3.9867066909682434,4.619936458120035,5.264000483939088,5.906245412539701,6.537083456436415,7.149794545924003,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_8,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419935700284826,0.5013905305754367,1.5149696585849035,3.482389118926258,5.479778079298666,6.78806617764442,7.46608824919802,7.78048942951232,7.897996346536568,2.7545118739350687,0.3928477302209912,0.0204177690871882,10.16269800681172,3.326664829983993,6.308262303461385,0.6458468684301523,4.458107831298702,9.75415977057862,0.8145858338750194,10.68202346701418,0.4228552921220087,34.9081823772174,4.458107831298702,9.75415977057862,0.8145858338750194,10.68202346701418,0.4154166725339931,34.9081823772174,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,93.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0423,3.234868593216519,3.839202216957824,4.47164518247735,5.116563918864052,5.760989829058558,6.394982430238016,7.0114863037498205,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_9,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414897296536064,0.5023788652950286,1.462146005195038,3.179980059686588,4.878077812233173,5.984174007965541,6.556789196589032,6.822250579659645,6.9214605453192215,2.5538519109412023,0.3930962597200422,0.0203151276808957,9.454437887627316,2.5594426604102374,6.34871867469399,0.5997870703523052,4.019109655418825,8.760388527743036,0.7223297316683797,9.797747508765864,0.4381721809946012,30.467532939692443,4.019109655418825,8.760388527743036,0.7223297316683797,9.797747508765864,0.4381721809946012,30.467532939692443,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0423,3.550710585190396,4.226294306725308,4.923563031901197,5.6237779229160445,6.312650937953648,6.980194367684174,7.620098570527748,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_10,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403223587855182,0.488547511358801,1.3723904441391976,2.889595113965433,4.346597364682019,5.283530897636968,5.766119208556153,5.989392090492011,6.072768850667701,2.3434586831929978,0.3849831010272352,0.0200445819250996,8.384578232312323,2.1911148286944577,5.54970008549213,0.367678517964122,3.3206358072305524,7.235050769737807,0.5941149530504924,8.073555431634492,0.3637798475106704,24.98486767738171,3.3206358072305524,7.235050769737807,0.5941149530504924,8.073555431634492,0.3637798475106704,24.98486767738171,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0423,3.709679096683995,4.381816199414287,5.069229597762893,5.755695102654529,6.4289915580536166,7.080638646544056,7.705324292583908,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_11,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404386531821315,0.5060861821500675,1.3962118460772228,2.8705298452413954,4.312203275001012,5.255712063747312,5.746052965457879,5.973820495648623,6.0590157454921965,2.338290332597971,0.3959547697800358,0.0199193426335908,7.816604985639205,2.266275570044705,5.100075834696559,0.3627982478828614,8.14049601612358,17.47729308231942,1.049097156592995,7.574528833354114,0.3653788669693918,36.57775965322426,8.14049601612358,17.47729308231942,1.049097156592995,7.574528833354114,0.2414043757428478,36.57775965322426,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0423,3.172217947820987,3.760605450026131,4.381068898533358,5.017665404120747,5.656949155140046,6.288470920641122,6.904703098589645,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_12,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425594401403616,0.5144852642692817,1.5861021503341393,3.636370890469327,5.690791151639274,7.025607767091055,7.714481287945095,8.03328860105308,8.15234360275268,2.881621386764082,0.4002290261167352,0.0205211743710926,10.827487160737116,3.765335069363765,6.608708287754177,0.7905574661957506,4.439167107597086,9.712692585201532,0.8071442963168831,10.569632102400009,0.4229404365192939,34.50650148441154,4.439167107597086,9.712692585201532,0.8071442963168831,10.569632102400009,0.4143842862024997,34.50650148441154,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0423,3.2718849347241368,3.8815224415236784,4.517786399738913,5.165155728678822,5.810869023632425,6.445215608907887,7.061355745044482,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_13,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408463330566815,0.4817839030773929,1.315357982157454,2.843042512955132,4.425557680822291,5.486887636575003,6.044071049856458,6.303984657481072,6.401369582907565,2.276963813950234,0.382464134893022,0.0201962222504221,8.290844329444274,1.965394439325885,5.582650814925173,0.2527226520820868,4.305323907494826,9.38100398793329,0.7618992900062982,9.917646760427372,0.4332805260958467,32.01327567744581,4.305323907494826,9.38100398793329,0.7618992900062982,9.917646760427372,0.4266123010737431,32.01327567744581,27.0,57.68546,3.0,14.0,0.8399999999999999,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0423,3.515921670655964,4.189388741657375,4.885181640100881,5.584562476991927,6.273207570762649,6.941070536572241,7.581772984643453,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_14,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140738014271157,0.4714220186386092,1.1470576778731718,2.213294260510756,3.2884206790723107,4.016265212423555,4.401792570760704,4.582483792534065,4.65032616884498,1.8266635232051047,0.3782357060496046,0.0201802560474085,6.196401906198076,1.0842892075523312,4.359025191876812,0.0529953648947463,2.564906414096608,5.607884091715485,0.4775053794029409,6.384949449320135,0.2528834099930941,20.600844487722828,2.564906414096608,5.607884091715485,0.4775053794029409,6.384949449320135,0.2528834099930941,20.600844487722828,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0423,3.7630530689321735,4.452413106144911,5.156353477770248,5.857639853533046,6.54347874361526,7.205175051476556,7.837451881238543,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_15,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406557166274613,0.4917583397712107,1.301404522185429,2.665565372475159,4.044179243612074,4.96792705882433,5.453971055306361,5.681038444887836,5.766176127780195,2.1676994859453536,0.3889339728430989,0.0200247929017629,6.93064086917752,1.7385794852429564,4.691695011856891,0.2844735113042119,3.450862373123505,7.556850352100856,0.6453298536104063,8.50405475830395,0.3165506839236009,27.98653044749837,3.450862373123505,7.556850352100856,0.6453298536104063,8.50405475830395,0.3136842294456703,27.98653044749837,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0423,3.296522823986328,3.889690069079825,4.511696158293084,5.147193296348352,5.783372391371486,6.410360566532633,7.021104902861929,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_16,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422142819290351,0.5022872351571886,1.5151041336018791,3.4805790932747187,5.476023845687339,6.783004596594187,7.460352364060189,7.774443537422933,7.891835160956345,2.7533922181002803,0.3935778463894532,0.0204753232818077,10.147828459110109,3.3139427589469928,6.288146435312495,0.6363019924362388,4.454894884813288,9.749123702317371,0.8117984762156946,10.619131118212223,0.4202675057959746,34.75578795088474,4.454894884813288,9.749123702317371,0.8117984762156946,10.619131118212223,0.4116213617777662,34.75578795088474,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,93.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0423,3.36642040868058,3.985154909495967,4.6272118307851695,5.277621807150453,5.924185208977829,6.557700202574168,7.171758150313721,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_17,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420459878881154,0.497932924377666,1.4317012057027736,3.1204791385758632,4.8014277674307975,5.8988927060062855,6.46746044429326,6.731114742859217,6.8296589607252285,2.502903973856192,0.3911846731799982,0.0204949174465371,9.208611473921014,2.417058807571971,6.210804874700658,0.550463688777255,4.21196179252655,9.172552021057538,0.7430136272827477,9.805018209515977,0.4341326797558628,31.10159606199068,4.21196179252655,9.172552021057538,0.7430136272827477,9.805018209515977,0.429284810500194,31.10159606199068,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0423,3.792337791406912,4.484382807537535,5.18962406377736,5.8910506219241245,6.576113209196651,7.236329048987665,7.866587207127406,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_18,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403637859909309,0.4947490803960622,1.4096559016927668,2.955859840920977,4.422883089296725,5.361166927008312,5.84337743802476,6.066271135247719,6.149475858559172,2.402219913190786,0.3880507821319057,0.0200436525432018,8.557769206921476,2.337956265198766,5.61308834697385,0.4032132127103451,3.609373679984267,7.843659220429904,0.6258941621905999,8.616526977509068,0.4326655951169617,25.76572295342066,3.609373679984267,7.843659220429904,0.6258941621905999,8.616526977509068,0.4326655951169617,25.76572295342066,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0423,3.690010797718699,4.373591402752209,5.071774743774316,5.767908140854173,6.44956208652329,7.108202404146969,7.7385632970134095,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_19,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408881566936153,0.5129060905264315,1.4293352900088512,2.9469978739691736,4.429486112009641,5.398964524456278,5.902624357896295,6.1365444861962,6.224036037170233,2.399284944476527,0.3999884353203541,0.0200128436277425,8.061701875679578,2.4141966330356643,5.236389613465844,0.4103431504623714,7.532200419382216,16.19359576941473,1.006397972699232,8.1508605993448,0.3960357747091821,35.97786326614575,7.532200419382216,16.19359576941473,1.006397972699232,8.1508605993448,0.2930295620101472,35.97786326614575,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0423,3.17988543851112,3.77154723792837,4.395359238383986,5.035126212483375,5.677217523705578,6.311067058569516,6.929087420047855,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_20,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1047818788545624,0.4354179142027178,1.1169510746871156,2.3227688113372515,3.64049316783922,4.554023925365726,5.040863177060234,5.269430200162138,5.355294421182776,1.8682113266912908,0.340320715809384,0.0106564576202971,4.36048235001972,1.6537202503688222,2.764476377979668,0.6372974751805754,5.323221826013716,11.317113400912248,0.538162157248797,2.991870417194381,0.3187766033227859,17.469406274615388,3.845511234002048,8.065334402239786,0.2426200388464632,-2.411741514226479,-0.0345134408685141,1.2693664316708608,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,14.137376970900068,14.926610805163651,15.583757733464136,16.13706045899705,16.60945594085891,17.019117630149758,17.38019012340423,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_21,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1046905990414862,0.435112754957882,1.120573244253504,2.357607089724643,3.715273385253851,4.653363040433213,5.151811175804353,5.385455827429766,5.473165495055797,1.8894716984469089,0.3401173620090651,0.0106378234624408,4.547652145739453,1.64734072038388,2.919112526818443,0.6343416576855586,5.599996831062104,11.91348433034002,0.573382418170195,3.17972858865422,0.3156740199056538,18.445649755406084,3.988130053930415,8.366487670189327,0.2510090627438572,-2.6599079937162755,-0.0609619283860609,1.3397457865311653,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,14.058983462665822,14.856643262727331,15.521349887157994,16.08127935599969,16.55940282511851,16.97397417104632,17.339235497656354,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_22,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2305960891878917,0.9440793133894618,2.176462012690916,3.9504147549706494,5.696191823725128,6.853369320209432,7.458416833728668,7.740193080502353,7.845699499837577,3.3126435006583392,0.7455934902276207,0.0247601904679687,10.891962513273402,5.363207509248429,6.477826042719832,1.7140933645471437,2.116065206830306,4.53927315477146,0.283780210886384,3.196932645640434,0.2331428309916552,12.687807507036377,-0.0221049912800365,-0.1658815510206507,-0.1438538287356846,-2.642162633747857,0.0386944748357075,-9.329574335419592,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,9.412897371756484,10.163043900165423,10.895004570137525,11.60442069692034,12.287616286991344,12.941742344432216,13.564822239141057,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_23,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169821756335069,0.9137877189936652,2.1548305711302684,3.777380596151565,5.241678874573922,6.182271001933306,6.669370589454681,6.895501042614155,6.980077910434932,3.216501650629912,0.7160203447926995,0.0232861830422189,9.91679587875774,5.040906316259817,5.9557473972508905,1.6915475949865428,2.315394233391152,5.023159952548923,0.363182521345775,3.8056564619475672,0.1246164743377097,14.595027767241902,-0.4839616022961368,-1.1369681303844117,-0.1966886457916827,-3.8056564619475672,-0.1246164743377097,-10.59917475394369,22.0,46.6827,2.0,0.0,0.0,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,9.94389288418021,10.688053713442144,11.408968604688065,12.103101544622575,12.767806593483597,13.401268291931228,14.00242865606485,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_24,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2148895521275978,0.9086647856386848,2.11804329395317,3.594619149728418,4.866637154197584,5.670006936322951,6.083777650483709,6.275500142321031,6.347157880396969,3.095170420254285,0.7113840509916459,0.0231202804840818,8.483080621809284,4.735439904694048,5.105542688003537,1.6733397659922082,1.9840741630196608,4.350395875385218,0.3815053513641125,5.03611697393256,0.1709105430190938,17.550477842380552,-1.8309793506214649,-4.044827764164786,-0.3815053513641125,-4.883022161534365,-0.0961432029357846,-17.550477842380552,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0423,9.930845326449106,10.672633690342163,11.393054132678822,12.088462460057285,12.755805145530603,13.39278816133344,13.99792033599947,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_25,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2283179510402695,0.9370160031327702,2.11688446849693,3.644367907357934,5.041235883435558,5.941516909496022,6.407593822022948,6.623841180775545,6.704696170421852,3.113366393531368,0.7403773016074567,0.0241649795826916,8.762531302619003,4.773900434022181,5.21607054936433,1.6459067495993125,2.1008989855659124,4.557769520515507,0.3562665193456384,4.95103114033102,0.2812808123014563,17.629825314742334,-1.4617662078904718,-3.282060496275327,-0.3562665193456384,-4.311898362655579,0.0318942487595096,-17.629825314742334,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0423,9.686810504844551,10.412907570020284,11.127156463577382,11.823641892125584,12.497255037157986,13.143990941581036,13.761018193547851,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_26,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.104705676689754,0.4357317956031176,1.1401675929098094,2.437299419120598,3.8621562359891,4.8454333395143845,5.367540702757928,5.612203908774111,5.704039035712541,1.9456921725147265,0.340277986137498,0.0106424434312808,4.94869490523297,1.7697834716548078,3.1387465011409894,0.6440387130303259,5.859375691955329,12.466895027793042,0.5991736215537432,3.208831657440045,0.312330599640702,18.94855187001582,4.246423598150385,8.917510071866387,0.2765832027927544,-2.736357435145803,-0.0808182307165231,2.06961191430012,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,14.02738204594606,14.830812420488964,15.500244610208938,16.064058025981637,16.545386652538422,16.96261292349583,17.33008035598204,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_27,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1047250235934982,0.4345586121898657,1.117782765390969,2.342185854847846,3.666539019253656,4.572271390151432,5.051076597883093,5.275001498610827,5.358983078176584,1.88091683324788,0.3398345042378116,0.0106506884077111,4.479712235902088,1.6907859204044708,2.81374802109526,0.637131012315921,5.795318675069057,12.332304644517766,0.6003937220706214,3.528698021631385,0.3437488534291893,19.775156526749782,3.950069942599694,8.271738855784843,0.2313439755767483,-2.932424078083701,-0.0515746210908241,0.1865482167870859,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,14.09364836658234,14.889416457955678,15.552106539572073,16.110041383903944,16.586258876565992,16.999038615859526,17.362628521775346,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_28,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2302026742269358,0.9425924143150852,2.162254420459902,3.89441976257741,5.600423378564192,6.7359117367091725,7.331130863416918,7.608667695474804,7.712640374052455,3.2725523596746284,0.7445695669519695,0.0245975503254469,10.565489443480052,5.232338642080592,6.317077967691836,1.692366988993369,2.357292304823481,5.052425221902914,0.3076027755878838,3.286573556508826,0.2415381870723233,13.343894176821909,0.1821709918962462,0.2659576664982616,-0.1274214869975631,-2.7291044342826267,0.0316216828185144,-9.019543250654207,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,9.307808509232489,10.030783708736184,10.742025543695432,11.436519082129884,12.109668510775563,12.757690636727002,13.377769791198771,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_29,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2193891939163102,0.9197843303737806,2.1710858659600896,3.828758920064361,5.339378841384328,6.314786476350251,6.8211380619096005,7.05645460851788,7.144505320555903,3.253419388122291,0.7213403915408413,0.0235590584418078,10.251229925681532,5.112800767857506,6.274881512717191,1.7247050462435018,3.0615390663617945,6.608759898751063,0.4350854318184146,4.059378627686883,0.1522656697714697,16.560872288510573,0.1711811559554295,0.2483770182905156,-0.1429861502628582,-4.0397505024807785,-0.1435311540547535,-9.550489531177224,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,9.715468543702498,10.442827968252692,11.152017353123044,11.839121650444024,12.500781764762982,13.13439917966563,13.738189343836591,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_30,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2146224831551941,0.9062950528027316,2.164857136238388,3.830599746644912,5.282048726001281,6.183176745105392,6.641328871062069,6.852226890635383,6.9308281526957325,3.2591372958094844,0.7095742387741151,0.0230101512025435,10.115209382737694,5.180755210013543,5.9993813734014045,1.7044809491530644,2.231805351312993,4.900539240006394,0.4360076908888035,5.71986687842342,0.1759102763376336,19.87918057434103,-2.128271557575042,-4.694036722000988,-0.4360076908888035,-5.616333084685469,-0.1292951072845284,-19.87918057434103,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0423,9.941481911477895,10.658409931348377,11.361665991617045,12.045725908719074,12.705953111052215,13.338822510972806,13.941928060968715,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_31,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2277178072431038,0.9396677995123216,2.160627314507544,3.770679480055384,5.235586915592975,6.175723098739966,6.6617102273810325,6.887086310514455,6.971340723578051,3.2112722300782828,0.7409967323301769,0.0240185218725957,9.538862897800184,5.1233935221241085,5.595372302761515,1.7033500195697702,2.364834531382308,5.146184851810441,0.4164956853722822,5.696800014360565,0.2841279810955378,20.15408636435718,-1.8001223223405152,-4.019019282563024,-0.4164956853722822,-5.132087805318773,-0.0074189986650594,-20.15408636435718,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0423,9.604705359453968,10.325093850248567,11.034483683655743,11.727019330529656,12.397622388363857,13.042275394759804,13.65809525887183,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_32,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1049425602377133,0.4347726978722768,1.1086756808711191,2.3010451274189845,3.6105206323603785,4.520971894513293,5.006816619135743,5.235049272974729,5.320808294590475,1.8507931633531365,0.3401007816773588,0.0107016441599303,4.2685916470403225,1.6099691452122946,2.7251741831113825,0.6326082627061244,5.310853405247398,11.29036374185669,0.5360828528685531,2.9598510733053898,0.3165556181340525,17.356928618936756,3.855710261791534,8.088245587238601,0.2450542241773802,-2.385795253771725,-0.0352682665625565,1.3903612301656458,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,14.18479565562532,14.970427016357732,15.624179236347642,16.174300804204577,16.64370709668319,17.050546157098943,17.40894275836694,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_33,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1046153600023736,0.4347374045985578,1.1241980354858996,2.3720241096478576,3.7383251732907774,4.680625306872342,5.180850333032256,5.415231873542452,5.503203311840869,1.9000674265915407,0.339748004751268,0.0106318514655529,4.61120831132719,1.6818886257247712,2.939097140122354,0.6341068415834038,5.676722956773799,12.08008446482246,0.5855469029793229,3.3062555915020906,0.3194232531716606,18.93002507613658,3.971161332337212,8.32690742104528,0.2444345780920056,-2.7881675941756923,-0.0655601344817253,0.9895304695753068,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,14.017546120412792,14.821017381884342,15.49067636304931,16.054825598168684,16.536554573301498,16.95421909821126,17.322145743423548,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_34,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2305465002108505,0.9435631628488884,2.1753569801869634,3.9504544059246136,5.7005623686170654,6.8619301268808215,7.469485175948744,7.752492484206796,7.858469455689474,3.3118694416754155,0.7452220852159497,0.0247059293552231,10.9079087271358,5.363761440598227,6.494781189234769,1.7134626061981144,2.034284608280607,4.365673328017972,0.2765043124381708,3.1940482561064667,0.2323024943203898,12.544696735127934,-0.1117756621719789,-0.3568438922470081,-0.1527077416523464,-2.633301588641906,0.0424633727372451,-9.573579036268148,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,9.275362509592226,10.003327935178184,10.71917590033437,11.417766357774315,12.094493652630284,12.745610728155851,13.368352701790744,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_35,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2185422582957528,0.9169524763736764,2.1575659329976946,3.788087772144589,5.262371556269015,6.208912190146605,6.698815206184351,6.926177143297019,7.011203040732835,3.223684507358852,0.7192447496625882,0.0234041398009377,10.002984969925402,5.064327541615103,6.015149128328659,1.6948379174620851,2.344966472994657,5.088907982896108,0.3700343466128348,3.903449233515644,0.1270601334819801,14.920143260084906,-0.530793456438578,-1.2393512813380576,-0.2051176392738122,-3.9033599976888143,-0.1270164079268334,-10.962142283948362,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,9.743551586548165,10.474883173527834,11.188543801919458,11.879886810125836,12.545190351574323,13.181714358037516,13.787658754432991,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_36,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.215519684591255,0.9104564139936652,2.1221751554033688,3.602729471639817,4.874093284568394,5.674396520509928,6.085840401560393,6.276325386652015,6.347495763686171,3.1022567939378005,0.7129493947413431,0.0231717966164172,8.518789777393527,4.7712158859938425,5.116300671410412,1.6819373894715564,1.9929132163001484,4.367578261295899,0.3810675281030395,5.041453441124465,0.1758181174653534,17.585916643561532,-1.817762064730248,-4.018010849726101,-0.3810675281030395,-4.8663022895545645,-0.0909291522067739,-17.585916643561532,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0423,9.816819578297936,10.547645824959636,11.260661392917722,11.951524418285324,12.616558084686652,13.252955002399938,13.85881574769616,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_37,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2287166963979762,0.9380404524949432,2.1195204610392206,3.6520196423123386,5.054173960948947,5.9576551079446185,6.425291127729743,6.642238280931048,6.723351084007085,3.1190577297169084,0.7412789087066274,0.0241908484274447,8.7958213611393,4.800510462491902,5.22645981118086,1.650349459376573,2.105722091726607,4.568794781129028,0.3576337420731358,4.966792028311694,0.2807729665924518,17.68128530009575,-1.4706153290047523,-3.3011216827362064,-0.3576337420731358,-4.33168526558984,0.0304293471412569,-17.68128530009575,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0423,9.568403850019813,10.28837892198781,10.997424228453736,11.689743518337462,12.360285896998828,13.00504158514587,13.62112221266672,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_38,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1046904832773544,0.4356435552029197,1.1363456258943008,2.421870904148509,3.834146535380007,4.809463949185175,5.327592066994196,5.570447575466106,5.661613361999036,1.934792672041092,0.3402843785070737,0.0106351744863333,4.885084314348556,1.7522388747584727,3.102333987011705,0.6427900409504816,5.770111553166049,12.273464485386008,0.5859999189423479,3.0979042832462547,0.3108834391705523,18.48993628030147,4.239645670482908,8.905594726315858,0.2799067424057199,-2.613120334426044,-0.0733393042486489,2.291823592052158,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,14.105350555042769,14.898333651930898,15.558641196562572,16.114582813067987,16.58916698040075,17.00063593958785,17.363197201702878,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_39,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1046524079565061,0.4349555001367349,1.120018526049957,2.3459029729350487,3.670501795625859,4.576097287163043,5.054779849367729,5.278639301176222,5.362595234831033,1.8842996913366163,0.3400206716583436,0.0106287397291635,4.490670154416491,1.698102709912069,2.814863718311768,0.6392594538246255,5.738377204186334,12.210527834703916,0.5939093214972214,3.4897233793816524,0.3416665879398514,19.57028726052874,3.916888928497917,8.202248166661212,0.2296116663595378,-2.893188113121753,-0.0493643074725006,0.194216448033482,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,14.122756285696592,14.913878869614068,15.572568697011535,16.127138008449943,16.60057805217728,17.011105246305853,17.372898530109516,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_40,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2300285754508013,0.9431321879057756,2.1633477550087186,3.890278451656552,5.586531153768464,6.714230547351908,7.305111950252941,7.580580391200782,7.683771584335082,3.2710158483447223,0.7448244828787766,0.0245916904133043,10.496997158045478,5.2267563959836725,6.25502316027067,1.693112284891744,2.321191171847187,4.976004049039624,0.3042728983235915,3.268732561269882,0.2386855208089245,13.231488434209654,0.152957363414823,0.2046928054261679,-0.1293738633628812,-2.7184734105756863,0.0309414630312319,-9.033911595152606,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,9.391561450859305,10.1365334466137,10.864264955820742,11.570367252660596,12.25104603658751,12.903322825914374,13.525106168977672,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_41,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.218410883389136,0.91595481613181,2.157750860137861,3.7937628017949865,5.285877227849203,6.251280923457566,6.753043147134197,6.98635989934039,7.073683330293848,3.226161231186796,0.7181823397834344,0.0236342052886202,10.037254808833088,5.033770449945273,6.150364799887237,1.7047225893198326,3.121772968175785,6.736779847928455,0.4401140996896748,4.036258356252781,0.1500130335971961,16.591864606351216,0.2538245650675074,0.4257102535717289,-0.1334755809319804,-4.033684529344128,-0.1488676806228451,-9.232540156166548,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0423,9.900756176051273,10.641286740599218,11.358016637292929,12.048036305463418,12.70905606702196,13.339437062751404,13.938183019310166,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_42,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2139015789023778,0.9045830026274326,2.1731517429038685,3.858777226465955,5.321402379776739,6.225836509157494,6.684672592460208,6.895673100980912,6.974279402083386,3.2810196409836827,0.707759036841383,0.0229673009522908,10.275422077492223,5.236272844234332,6.084619595576688,1.7169594697658286,2.1703121221891504,4.760903286776981,0.4195156098869999,5.52643700128515,0.1796475878211188,19.24187280868575,-2.0248439766808484,-4.470755856903594,-0.4195156098869999,-5.380968855776848,-0.1140133390997807,-19.24187280868575,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0423,10.012518500344235,10.741265690084294,11.45450827337122,12.146694008945849,12.813262827348955,13.450830132487823,14.057164947443953,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_43,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2283663249131095,0.9406992649359954,2.1653763025534225,3.7929634236604777,5.280019930788154,6.235168033267171,6.728895166810857,6.957835026976552,7.04341631095587,3.226234176290776,0.7420125235521793,0.0241386908491793,9.70026382996424,5.15778994433835,5.704657991139846,1.7084714836976882,2.326096453179902,5.060046746857152,0.4078749915034489,5.589096385207494,0.2832497799009091,19.78798209596849,-1.7526534618545877,-3.915454536171824,-0.4078749915034489,-5.01565339388218,-0.0022627141515049,-19.78798209596849,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0423,9.691064624361772,10.41650049596126,11.12974702362634,11.825121222588146,12.497665795637651,13.143458041296936,13.759699966602447,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_44,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.104004855641668,0.7297363409561292,2.1505441956422,3.965266622015196,5.432407889233503,6.303335958029587,6.736690987374291,6.934263260494529,7.007605265304366,3.3603168531041896,0.528170852069814,0.0037461467409183,11.084348476620544,5.164650653210401,6.968417030204195,1.675873045065612,0.8115398423908874,1.7737532239683902,0.1505139980041631,2.0156518264241927,0.0810297258020858,7.067979172037701,-0.6936001376507442,-1.5383855693921826,-0.1505139980041631,-1.8977121216840496,-0.0243300728008282,-7.067979172037701,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0423,8.188629110870053,8.922573145210432,9.651369439337428,10.371844389567997,11.079647949080403,11.770149372309143,12.439087963834268,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_45,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1339393723448368,0.7452563142623575,1.9251454540848525,3.5202272358458493,4.93539327709953,5.824198843470368,6.278639309951402,6.488350984472327,6.566590156440487,2.969345356599204,0.5646424743161743,0.0069232556507835,8.759771405047653,4.151723831484825,5.401918156037873,1.3030752172471805,1.4416103668008031,3.0017969857506217,0.1224238431998631,2.421001112399709,0.4256394747888213,9.65652869800128,0.2173719348021718,0.3077966557391681,-0.1224238431998631,-0.7620188107967336,0.3399427845489171,-9.65652869800128,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0423,8.750223297842084,9.675397950868858,10.562223416795383,11.407903155228592,12.21045788871643,12.968689550345363,13.682179903270775,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_46,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1161221096327819,0.7509521795228236,2.1243912848007547,3.911887091278341,5.414635131542167,6.330609662881749,6.792454171480677,7.004277470418539,7.083105000614586,3.3077073178977168,0.5514260889333081,0.0048737702251739,10.827393776780433,5.062427017178933,6.757815919348932,1.637258340168805,0.944291146344848,1.9811761746266143,0.0945165795867614,1.7004237830389393,0.256125196871545,6.611787323459467,-0.0008746495227664,-0.0987103078014564,-0.0945165795867614,-0.757007286216858,0.189963591160812,-6.611787323459467,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0423,8.237673767251568,9.020249765460758,9.792718635079687,10.551118838995324,11.290853873993822,12.007419148322144,12.69692490843656,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_47,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1024682620621942,0.7288300282503718,2.169185065932876,4.003742490618046,5.482206972449018,6.359039791358727,6.795261512162013,6.994138200244676,7.067964826854061,3.393125346038701,0.5256302931596316,0.0037311221230458,11.26928921296422,5.26771113513511,7.027704967971639,1.7007064910721936,0.8452835516748769,1.8284955630362825,0.1383259504354292,1.9518911551583105,0.1192138487486908,6.992936767082968,-0.537975952679415,-1.2154389057895638,-0.1383259504354292,-1.6445835561628486,0.0223856834438904,-6.992936767082968,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0423,8.071579316250185,8.800289368773099,9.526852280589948,10.246752751323434,10.954820096742534,11.645987244882592,12.315799379548697,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_48,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1430428577707361,0.7575162777940941,1.931921977880289,3.528939416127241,4.954069181474989,5.851624091601203,6.311045028332194,6.523147568303189,6.602292152594542,2.9760510146897503,0.5773848591838364,0.0085311551213034,8.749809891973541,4.216688385953216,5.380511859576785,1.3114812821005637,1.5621074161924444,3.249154416264161,0.129324599711834,2.5967042138871173,0.4643960457058143,10.397029075198905,0.2688614190741035,0.403299350813402,-0.129324599711834,-0.7657353786205691,0.3738688259075306,-10.397029075198905,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0423,7.31290906204375,8.164995176823748,9.006875267763705,9.8296131867984,10.626597727618892,11.393032527909774,12.125607171935318,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_49,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.116423969051907,0.7541171521325609,2.129132950716022,3.919222712326835,5.431728652105441,6.357048294891266,6.824432187988007,7.038961684811565,7.118821405603986,3.313230924286549,0.5537678727645733,0.0048299173810565,10.826447059666858,5.079277696404695,6.775330708582687,1.6463035388441718,0.9478634350194938,1.988192586427337,0.0944407719000862,1.7033896102201842,0.2570436328938101,6.628132613099196,0.0034557160186307,-0.0900257084354491,-0.0944407719000862,-0.7520704591820595,0.1909350925637497,-6.628132613099196,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0423,8.037688402982408,8.813720265068415,9.581698768190543,10.337335285692271,11.075809482852632,11.792444544269054,12.483197494029728,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_50,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1017924132632247,0.3989246455970495,1.1271502038530952,2.6309848281081765,4.278090220542918,5.397072810526249,5.985976229075583,6.26081068847021,6.363794393350684,2.0571428567603665,0.3132904509398025,0.0106251349170187,6.0051687920593615,2.1474510561126423,3.740960297871738,0.5440270008805745,4.967724121027741,10.884345090368935,0.56391922525976,5.352352272054542,0.5988488435366727,20.84878633861665,0.3053142108711171,0.8936279590284368,-0.1053941529207289,-5.352352272054542,-0.5988488435366727,-5.923748788602909,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0423,17.042051850230536,17.58932894557123,18.038790230437712,18.41382759884787,18.73239531597194,19.00818628135375,19.25156261469313,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_51,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1017450516972851,0.3859896613336947,1.0531695917279882,2.539422501603726,4.254217241511321,5.445961465932904,6.079020932869543,6.37559785714456,6.48689895576565,1.9594221532535647,0.3068004615300142,0.0106436987159023,6.185927920660038,1.962012514986265,3.892688856551567,0.4537414123969899,3.956163210425885,8.648946865969485,0.4027592703742709,3.593595976227409,0.5271487515434314,15.444245495755968,0.6242119082091577,1.5818785723858897,-0.0044657817973105,-3.593595976227409,-0.5271487515434314,-0.844756591107287,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0423,17.282380267849746,17.795695804666938,18.21767115366903,18.57027770467389,18.870387078872174,19.130864837764094,19.36143670996312,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_52,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1018810152122608,0.3888879310411074,1.0327808403748162,2.4162018941249754,4.005427264358349,5.111282063754794,5.699365128485389,5.975027582198268,6.078505188964401,1.878270494671366,0.3090685165090754,0.0106383315645917,5.593849182679159,1.8177083696354903,3.504696212112389,0.4077629432930771,4.280015771130759,9.374697209354984,0.4858148272043881,4.640899619794908,0.5207297716205502,18.03174600009877,0.2249619892210189,0.6877190504658827,-0.0940776306520596,-4.640899619794908,-0.5207297716205502,-5.163952314159135,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0423,17.070848559981854,17.612154691584607,18.056909588918387,18.42817348831669,18.74366941341228,19.0169271940751,19.258192358026943,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_53,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1017979388439853,0.400373003691837,1.1658492827341829,2.760923156192994,4.492850225915466,5.663549567741288,6.278371008777599,6.565053559846696,6.6724401626604815,2.15397916674623,0.3135881403617117,0.0106298008029495,6.485920274688518,2.3776370883336573,3.979205429414191,0.5676463590589911,5.346703893519071,11.724655047371632,0.6066510161055537,5.6504016514284725,0.6281061376995999,22.18450542980249,0.4665593582312425,1.25997612702595,-0.1011498637794394,-5.6504016514284725,-0.6281061376995999,-6.127529765597233,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0423,17.012222102790233,17.56375611788346,18.01635127530082,18.39374592105587,18.71412646581866,18.99134359028531,19.235868202847445,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_54,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1017442148193778,0.3975009118968896,1.123483851691487,2.6273958361684007,4.273456331287052,5.390815772778415,5.978607975399712,6.25286877769181,6.355628911155462,2.0535340260495767,0.3124402100287729,0.0106195127801005,5.983032538742702,2.144847686160229,3.707750129730822,0.5364113329121034,4.994045939156749,10.943017976544226,0.567032949842459,5.372529844631562,0.6003080750247434,20.939073243257003,0.3186725577927931,0.9235855521226396,-0.1050574283685857,-5.372529844631562,-0.6003080750247434,-5.944541885184791,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0423,17.03832951574349,17.58581810263813,18.035416082416013,18.41055414410151,18.729210153810406,19.0050906632366,19.24856483235959,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_55,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1019840717110943,0.3867146377686193,1.0522765640420435,2.536049612707316,4.253384104146256,5.448997410197355,6.084593048127194,6.3824515838932285,6.494247640172457,1.9563816088605963,0.3074294431728317,0.0106893406058802,6.133933424162425,1.9538288631843224,3.87047145647527,0.4654084031523168,4.0248143969129,8.801665137589591,0.4110252880142036,3.6521982857619935,0.5314101552490887,15.692415229089288,0.6528980225917835,1.646575012016492,-0.0042676863181442,-3.6521982857619935,-0.5314101552490887,-0.9193037442046276,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0423,17.215988622700195,17.73705615590738,18.165189987533484,18.52269390938233,18.82670241723213,19.09028993891886,19.32334959469961,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_56,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1017048558948727,0.3870573368579866,1.032080654247754,2.4289450310721854,4.033123258672677,5.1478861660568045,5.740227062720106,6.017778311826849,6.12194792652739,1.885523271661568,0.3077881772523608,0.0106160528057618,5.671279164238537,1.831090954974239,3.5511439352392427,0.3999331326995496,4.209062462615331,9.219861468309285,0.4759288281752381,4.52351234466978,0.5118753280075803,17.654312193684977,0.2541907094397522,0.74935784403582,-0.0878198566921874,-4.52351234466978,-0.5118753280075803,-4.89563520101205,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0423,17.13005001700415,17.665492105213936,18.10537111412549,18.472598199252264,18.78475760323222,19.05525570951429,19.29423093038586,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_57,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1016968211248613,0.39783032319853,1.1533735933569582,2.7342324094197057,4.455906739676416,5.621507300648839,6.234105670286126,6.519846242839164,6.626894671844507,2.131956650066966,0.3120918306633503,0.0106223142364868,6.423973977485867,2.325707304901057,3.958593826855883,0.5539215162486231,5.221642970955228,11.445840092791997,0.5947662411711386,5.609622285364894,0.6200832967261807,21.858859164915497,0.3624383703818382,1.0268853842911114,-0.1091939506200894,-5.609622285364894,-0.6200832967261807,-6.2995485067336325,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0423,17.09985568318823,17.641697790415968,18.086228181035604,18.45688656012293,18.771609252440083,19.04404199604191,19.2844896766998,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_58,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0948063532289002,0.6167445999739759,1.9227087643499563,3.905892266280844,5.73778979498531,6.900936756127467,7.497167817117708,7.77248565879048,7.875219065735006,3.206429300331699,0.4466497752045699,0.0045155970342697,11.592216664178029,4.708603866910582,7.00488957889661,1.2389422200503557,3.87393915126638,8.451294632790974,0.3075094598454417,1.865729761384758,0.5482344460223435,12.041898346852028,1.8451639165459324,4.284557160717194,0.1928177398214212,-1.865729761384758,-0.5482344460223435,7.454229545891211,23.0,51.37329999999999,2.0,0.0,0.0,53.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0423,10.831118917693544,11.61843714634808,12.377897836626104,13.106515534086132,13.80134902460576,14.46013217378084,15.081505190744124,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_59,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0848849608144,0.5306963063390928,1.6390625788442583,3.2758036608648378,4.714706230112749,5.606069800918318,6.058642456906599,6.266851008902375,6.344431964383601,2.7096105929249044,0.3882282160892076,0.0038776207036232,9.0283166419042,3.070590982896754,5.941204241036251,0.8497569850514801,3.674075803297879,7.879698067177509,0.5348151606595759,7.952597088574486,0.6568728538331928,23.71853062308515,-3.222687972238799,-6.98021753622608,-0.5348151606595759,-7.501209257515407,-0.4763177214095609,-21.32362138497632,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0423,12.418942668723842,13.319341428139936,14.149961901819706,14.91395859314325,15.615231697295249,16.258003791472806,16.84658369964167,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_60,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0957163754877861,0.6118603439309531,1.871753019374254,3.717295070704696,5.382610883325549,6.430139771896151,6.965175037048126,7.211874463926759,7.303875540726582,3.0733486930007983,0.4447688589885598,0.0046209644937311,10.522519696774012,4.274937529789112,6.474150130648511,1.1747788908133256,4.334895540531575,9.494421305495315,0.4225091597588962,3.400540352170938,0.5561086435519939,15.832569545239291,1.1779852776868442,2.819269135312524,0.056871780955749,-3.400540352170938,-0.5561086435519939,1.2070743931134051,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0423,11.03600145913727,11.832709686158248,12.598148878503965,13.329559264925976,14.024448047581002,14.681058306491058,15.29852074492038,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_61,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0990444082394373,0.6231477114986168,1.9251732253550145,3.9086103929334666,5.74103451677955,6.904072689402757,7.500115222300685,7.775317940114023,7.878004045233765,3.208827002337648,0.4535975819764221,0.0049487411351744,11.62083180072389,4.709776053691843,7.015657246817536,1.2443069487182736,3.748141425528078,8.165064380008943,0.297639988340406,1.866453583855938,0.5399513753819705,11.800027178835316,1.7110594116077384,3.979669329449941,0.1809172471557654,-1.866453583855938,-0.5399513753819705,7.131117531449694,23.0,51.37329999999999,2.0,0.0,0.0,53.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0423,10.559601436228569,11.345846098438416,12.102772227965932,12.828367950262033,13.52049698281637,14.17745168880828,14.798192460083992,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_62,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0892963928033846,0.5439799601678824,1.6592073457025152,3.306326059948902,4.760024269311476,5.66351289380085,6.123064210882687,6.334660502465892,6.413531585188529,2.735895496757881,0.3997809693038519,0.0041821513720993,9.0792903891435,3.138653741696912,5.993487866048507,0.8908561690346417,3.590342895768156,7.695530817136827,0.5180685791536315,7.73489152899721,0.6535033800242485,23.132400270377094,-3.194329058445435,-6.906394043503839,-0.5180685791536315,-7.338877691674487,-0.4950978450951596,-20.293155248527025,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0423,12.203900455135464,13.07273350386282,13.879605065786569,14.626671944837788,15.31686046457849,15.95345195053132,16.53987342972437,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_63,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0968598917333564,0.6160086125027516,1.876387453047197,3.716876364477419,5.379398466129222,6.426466925656648,6.961606668120967,7.208423662326119,7.300479186031514,3.074652606840055,0.4481408784660242,0.0047292209079358,10.50075662246532,4.283338562037083,6.456638829776064,1.1810417359535836,4.5866963239631255,10.05238737980216,0.4523227909525849,3.6289436411751135,0.5755593694325765,16.778594505054535,1.2608428560035352,3.0088032529883284,0.0561588768706029,-3.6289436411751135,-0.5755593694325765,0.9320379417752536,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0423,10.8416586376521,11.63200591106628,12.391973630051762,13.11921261413524,13.811439017482638,14.466939001900496,15.084767568871271,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_64,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0655074376500405,0.3458142237829534,1.1778328556990834,2.6762901659930907,4.140499108989163,5.088935722732904,5.579047155466146,5.80612770758331,5.890976834925015,2.1323809822565045,0.2552284286719508,0.0044314556387334,7.384521939236048,1.8827093825635173,4.86368858711624,0.2879731772459872,6.068094880253896,12.958837095915106,0.831289064454492,12.71840739588983,1.1379461296114348,30.34047440126948,-6.068094880253896,-12.958837095915106,-0.831289064454492,-12.71840739588983,-1.1379461296114348,-27.849760110544967,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0423,15.878221264097451,16.652649364382956,17.323215898433467,17.910761623699116,18.430562886013533,18.893957302506017,19.309533450233623,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
RSM0423_65,RSM0423.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0766353067492623,0.3633317858231549,1.1723314646333205,2.645493415612981,4.092957584425896,5.0298185592135205,5.513299429818982,5.7371322593133405,5.820738085357347,2.1088510889809258,0.2736654887938408,0.0060631498590549,7.3696825279995215,1.8390588720411696,4.866239943835306,0.2866326627270921,6.554157288476864,14.017032832061853,0.917350419422022,13.892960643853044,1.1952530804026482,32.77078644238433,-6.554157288476864,-14.017032832061853,-0.917350419422022,-13.892960643853044,-1.1952530804026482,-31.44374291715722,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0423,16.951545495056703,17.48691232131992,17.96099641245247,18.38602257661968,18.771099207040155,19.122912525450143,19.446362779936425,O=C(c1ccncc1)[N]c1ccncc1.[C]#N.[Ni].[Zn]fsc.cat0,"linker O=C(c1ccncc1)[N]c1ccncc1, [C]#N, nodes [Ni], [Zn], topology fsc"
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RSM0135_1,RSM0135.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,19.0,39.0983,4.0,1.0,0.82,203.0,6.885392239238743e-06,0.0099068176767683,0.2532879905140575,1.119480388150912,2.2111048196840946,2.994484550106965,3.41690053550574,3.616153912841172,3.691146128947005,0.7656616680855626,0.003232496443206,1.5610940077690995e-11,1.8617522966705,0.2877816193076167,1.353568347917309,0.0113074118281272,11.268816998587244,23.686049622973265,2.0310352701071066,14.49034361471406,2.5686587283756084,137.93010182805608,-11.19687018172501,-23.50416633329823,-2.028554345387719,14.49034361471406,2.5686587283756084,-137.93010182805608,29.0,73.3127,1.0,15.0,2.62,-59.0,-18.0,-38.09036,-3.0,0.0,0.87,-172.0,RSM0135,23.49115183657428,23.5979250514048,23.680547621372565,23.74580893421279,23.798264200472577,23.84106327988489,23.876441590187625,[Cd][OH2][K][OH2][Cd].[K].[O-]C(=O)[O-].[Ru][Ru].cat0,"linker [O-]C(=O)[O-], nodes [Cd][OH2][K][OH2][Cd], [K], [Ru][Ru], topology "
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RSM0023_9,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1448302032098994,0.4666214613040835,1.0857742504864356,2.1282235391838893,3.183422684162408,3.8792199745172073,4.2410094468043935,4.409005061581055,4.471827799983756,1.7452858811269707,0.379163494170641,0.0213771034174749,6.049317338191086,1.045884333239831,4.270693922977157,0.0465584152361082,5.9619673366934,13.154431999552171,0.8327561015313883,7.902706148158308,0.3722017244877134,31.96786685288191,5.9619673366934,13.154431999552171,0.8327561015313883,7.902706148158308,0.3047544387621963,31.96786685288191,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0023,4.822954644741722,5.560191908085863,6.27833857145589,6.969263034482033,7.627822543595788,8.251209724866353,8.838442932023874,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_10,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.143866545513807,0.471603277472469,1.15269112645523,2.364330902722256,3.604409463305129,4.421879624393528,4.846404319883835,5.043383315496087,5.1170193897223335,1.915916972056269,0.3809736945560211,0.0210574567502458,6.909216858682393,1.3178020982517098,4.886033649505658,0.1153446046479186,8.322853118316191,18.484369322529275,1.0586517146461,7.537804829067485,0.2862116775587744,39.321881152668496,8.322853118316191,18.484369322529275,1.0586517146461,7.537804829067485,0.1540079346099529,39.321881152668496,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0023,3.796927877404748,4.490701566650653,5.197684003093319,5.900539951315232,6.58667994512225,7.247660185245963,7.878405666338702,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_11,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438613802713638,0.4715862491967014,1.1522915806503111,2.361837772563585,3.599304951240445,4.415098773181669,4.838791115130475,5.03539425997966,5.108891592794921,1.9143111000787407,0.3809619031978679,0.0210559772225959,6.893054775091419,1.3144048508180564,4.875221590900173,0.1146930223958725,8.28920401208261,18.40977508438233,1.0543061104741591,7.504406078341248,0.2847852924760168,39.16008984762507,8.28920401208261,18.40977508438233,1.0543061104741591,7.504406078341248,0.1530817665112362,39.16008984762507,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0023,3.7981116477782506,4.491644952352062,5.198473119667054,5.901230548308229,6.587307407192692,7.248246452608414,7.878963966869207,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_12,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2359628380175795,0.9501279416105862,2.0774105869561823,3.4288839252204286,4.573077144853527,5.275898967493728,5.6314809994880735,5.794802023962087,5.8556152803490775,2.972269337478492,0.7542768733966774,0.0257539530390718,7.250829394825279,4.499353828778712,3.960445162873672,1.615536664871911,2.575283756301169,5.546183300388407,0.396883846465712,5.7503545280268655,0.4284329630095777,20.81409571082009,-1.393554708355951,-3.1874521206897497,-0.396883846465712,-4.568625480081648,0.1506142704835796,-20.81409571082009,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0023,9.743924168895692,10.450588818083656,11.15159773469251,11.840080932963408,12.509529687395377,13.154549395765102,13.77114529837177,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_13,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2360400175234205,0.9503687018306666,2.077558609779714,3.429146943755644,4.57390902774022,5.277257176962656,5.633145327108644,5.796614590014382,5.857484177259567,2.972425853248478,0.7544941400573291,0.0257542012768755,7.256807821108447,4.500815117407208,3.963909478659053,1.6158442923795693,2.5755019378544803,5.546670057858184,0.3969339726823894,5.750973719313596,0.4284346069156773,20.816189142920187,-1.393837788969414,-3.18806841668359,-0.3969339726823894,-4.56930957042853,0.150580826038005,-20.816189142920187,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0023,9.74495287816979,10.450149285563349,11.150137340793773,11.837910522080326,12.50687000173313,13.151560163983811,13.767943757637012,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_14,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2414054109275445,0.9648981228235772,2.0821585427361646,3.437858116019866,4.638924654686875,5.401026670177594,5.792812771424561,5.974044240142764,6.041723880788423,2.973103482085424,0.7677680546904073,0.0260724762556527,7.471772975515861,4.39414946561557,4.149944406215706,1.594059985255078,2.705870688062636,5.840306795126477,0.4034254881813163,5.664097765064499,0.4306799108965812,20.857626925705667,-1.1788415112790465,-2.7082044045592584,-0.3735169516870199,-4.4810167579653175,0.1490297825820175,-20.02018790386537,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0023,9.06551302137775,9.717377615390047,10.378018517809837,11.039051369141104,11.692337116023497,12.330814305484877,12.94886241805744,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_15,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2414164978215495,0.9649076232302424,2.082121068403601,3.4375337408570985,4.638278619021839,5.400198616925511,5.791899997021023,5.973094210696618,6.040760237421352,2.9728997241375708,0.767781384776902,0.0260735748730509,7.470978745342606,4.393433204908479,4.150850267150264,1.5940762135810018,2.6929924568287653,5.811298673098742,0.4017219011591406,5.653278352128367,0.4307447170866214,20.802304693899448,-1.183399158110683,-2.718902647939493,-0.3735564218287491,-4.467588065709787,0.1502435232584831,-20.013671272648487,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0023,9.05267687936906,9.70616827957278,10.368044066595154,11.03004312813372,11.6841075610482,12.323229906954388,12.941825911805484,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_16,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2359938597921401,0.950232183746237,2.077836210366372,3.4302402322886043,4.575347060420106,5.278713936525688,5.634561014660005,5.798000949380291,5.858858004940646,2.9732749653211963,0.7543636408328336,0.025754453949727,7.258895795335863,4.504222165778394,3.9637564014040816,1.616277361118428,2.575017310893527,5.545581711809418,0.3968156354041404,5.7495423941266495,0.4284456479891331,20.81139926255044,-1.3931390431478778,-3.1865526893891025,-0.3968156354041404,-4.5676641263810005,0.1506747032062351,-20.81139926255044,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0023,9.752701818980382,10.45799377585251,11.157994430413169,11.84570928774537,12.514552019451797,13.159078993644142,13.775263928809952,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_17,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2359081982395717,0.9500198023543872,2.0774375832254,3.429175535501156,4.573506602212889,5.276384407825168,5.631991784503965,5.795324396709927,5.856142001969655,2.9724812808367664,0.7541720700491594,0.0257459108576596,7.249847090309344,4.499127348713266,3.959991761358111,1.6155641500833655,2.574898051429956,5.545322430260256,0.3967948684012513,5.749256998639966,0.4284308215580507,20.810387625174805,-1.3930506325825571,-3.1863549822408475,-0.3967948684012513,-4.567409579792568,0.1506744136771751,-20.810387625174805,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0023,9.748324001101809,10.454541583948265,11.155262633602357,11.84355155907911,12.51285966188532,13.157768074925304,13.774267595235573,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_18,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2414275082432764,0.9649356441143768,2.082035461122499,3.437361846628647,4.638269501642633,5.4003778762608565,5.792194188040737,5.973444947267093,6.041132587438304,2.972724030208036,0.7678066655049165,0.0260769056793655,7.4716770591075825,4.393056911450269,4.1510163291524025,1.5938331966646575,2.70469209573312,5.837639298842236,0.4031081832779427,5.660285242533128,0.4307517117283522,20.84512526580973,-1.1767940040332323,-2.7037727009708123,-0.3731890366753278,-4.476457336763311,0.149323962098858,-20.00738916093652,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0023,9.05051889031429,9.70430074777739,10.36639064860033,11.028551360719904,11.68274184930436,12.321966052451026,12.940647219280931,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_19,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2414062705735437,0.9649313375977284,2.0820390226971512,3.4370550964987103,4.637320973146261,5.398877215815271,5.790376931097967,5.971475045011275,6.039104770782774,2.972573663512577,0.7677903224928512,0.0260737865624837,7.466267887689424,4.392865401821204,4.146085346085621,1.593870069523934,2.7088448821629045,5.846999878036616,0.4037467829788546,5.66534070642453,0.4306954262810521,20.86709436157628,-1.1766904811983026,-2.703322736878614,-0.3733602896933866,-4.48263097824281,0.1488323405279908,-20.01627254958317,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0023,9.061251649503587,9.712995194978426,10.373567981490211,11.034581123792249,11.687889338022162,12.326424090682318,12.944557713998549,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_20,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0921406122853631,0.6092860995939032,1.844614221691624,3.5995993233050934,5.161262832138172,6.1391174440791785,6.637897761331819,6.867784094270824,6.953503004596957,2.9914488212995423,0.441475216992553,0.004242286280729,9.383909239232104,4.054461635305253,5.48349860488857,0.9775868992897908,5.265618622787149,11.719632902067016,0.5147696464567674,2.9006698720486965,0.4618399200236768,18.31889814776552,3.124283159132677,7.172633522708471,0.2479486973541258,-2.9006698720486965,-0.4618399200236768,7.646060183659848,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0023,10.3819554711337,11.196877868500913,11.99262995776962,12.761430861601632,13.49670931324053,14.193759441700465,14.849780360310282,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_21,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0922434598832751,0.609576622771713,1.845725068481236,3.6020129809208523,5.164369343349076,6.142451443285731,6.64129878181342,6.871206305432658,6.956931652774229,2.993465673272435,0.4417100777372496,0.0042525993224916,9.391817336715516,4.062108705585369,5.485636027539451,0.9787608237202002,5.256545877480315,11.699348593885889,0.5138282508515813,2.895573578365943,0.46121242422871,18.28747415741843,3.118463694895832,7.159383756514735,0.2475362557280684,-2.895573578365943,-0.46121242422871,7.635794352477915,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0023,10.361166794701242,11.177091690958529,11.97379451482925,12.743501748539188,13.479648909132324,14.17753443971847,14.8343593915237,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_22,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0950697449998776,0.5994010926634331,1.8062029563412405,3.579851259212504,5.188367708480824,6.201151087066421,6.718398221040181,6.956861167836794,7.045783616377344,2.9594003181069803,0.4374156958318205,0.0046358235453638,9.600369364249127,3.857905153123488,5.658397740081962,0.8761588841989912,6.16179279422142,13.724521902178394,0.6133653572491072,3.491262628159307,0.5188187350965756,21.56484523007485,3.6443228839673663,8.356755662207867,0.2780997044044188,-3.491262628159307,-0.5188187350965756,8.154219116287319,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0023,10.571332936008703,11.358613104745952,12.126728052336892,12.86876247681328,13.578946611667671,14.253141950238172,14.88885439020535,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_23,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0950339406724348,0.5994900720515366,1.806896659570122,3.580575551188672,5.188527224144654,6.200874789464108,6.717901904071636,6.956266205003687,7.045152452673478,2.9602277785303075,0.4374347647139845,0.0046313071628039,9.597399283431631,3.860077790481455,5.658149252669768,0.8784000300444783,6.127450960706016,13.647692601534752,0.6096617119625093,3.469960937440064,0.5165959805901146,21.44269319937118,3.623445616779429,8.309243344875464,0.2767834314452586,-3.469960937440064,-0.5165959805901146,8.127561978681152,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0023,10.513710324298703,11.3049984122452,12.076734701788816,12.82209660467376,13.535365720866192,14.212431658707828,14.850816659050952,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_24,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0921088772152797,0.6092430815816309,1.8446753019148248,3.5997710456977803,5.161322702358835,6.139024424895632,6.637709589809789,6.867549029313669,6.953250024280596,2.991608555846066,0.4414276390036515,0.0042393546394514,9.386655208988667,4.056735772743592,5.483041115329895,0.977349120303178,5.258127518119449,11.702542470936576,0.5137456961540964,2.895342811390518,0.4619764778010555,18.292218992098288,3.118372839007459,7.159546808236926,0.2477543363119863,-2.895342811390518,-0.4619764778010555,7.652564598413883,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0023,10.354037389422585,11.172010322976623,11.970386360500909,12.74144147035256,13.47865957390683,14.17738475142,14.83485928965511,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_25,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0920487278224082,0.6090282360031495,1.8434041976185247,3.596944956465981,5.157830591247175,6.135402450791094,6.634085306701337,6.863935835393218,6.949642763232919,2.989230158304418,0.4412749627533428,0.0042330511585916,9.376160118863316,4.0470141279244665,5.480328675240677,0.9760631570416864,5.274087572590029,11.738382962691707,0.5153476468353908,2.901850881899526,0.462869993755013,18.342848663339925,3.1312296649523144,7.188595774843811,0.248772102032095,-2.901850881899526,-0.462869993755013,7.679826871208093,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0023,10.388787690611206,11.203741127762054,11.999365929925728,12.767943941615448,13.502943943107526,14.199686413106898,14.855388028524551,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_26,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0951355850328036,0.5994864415489363,1.8066003442459648,3.580801129051242,5.189295306352261,6.201856235064048,6.718945147098385,6.957326949723756,7.046217949899761,2.960221143483335,0.4375080495696278,0.0046422611738419,9.601425114546716,3.8601181181685154,5.659637541107676,0.8768866821447241,6.1479652440458645,13.69331821178284,0.6121461980163265,3.4900555289844424,0.5181832658774623,21.5289213873264,3.629196201967354,8.322760607420912,0.2766866607121479,-3.4900555289844424,-0.5181832658774623,8.110539895159262,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0023,10.614090135157728,11.39618332582984,12.159868066659502,12.898122955036122,13.60508049205402,14.276515097355848,14.909857340295504,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_27,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0951582287658176,0.5993338890074414,1.80597950920358,3.58033866046124,5.189322512274053,6.202182518080801,6.719402408134024,6.957838201276986,7.046748219489039,2.9596230062748425,0.4374363744474556,0.004645068166873,9.601967394641136,3.858346012783247,5.6587526274904,0.8750255252520772,6.166556999028631,13.734763472478004,0.6143715399499949,3.506894290402867,0.5194910911129241,21.604446955008548,3.635911861028188,8.33830223656803,0.2767619927824431,-3.506894290402867,-0.5194910911129241,8.100065068306474,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0023,10.611961672754992,11.394042927296434,12.157734523087424,12.89600290225616,13.602976433461407,14.274429184764738,14.907792658983087,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_28,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.094307655661657,0.6445667390324579,1.852453953000852,3.214665443462065,4.248028406007126,4.858027818728934,5.163589878783891,5.303599772615791,5.355700563684516,2.776523664357648,0.4650744082803456,0.0042682749317951,7.00795499641747,3.3702417002379392,4.223266673786216,1.020822919509193,9.496678725326824,21.20295036155719,0.9088974701855004,4.256801952705042,0.7429188425636679,31.18228300927445,6.694100318810075,15.25522510667968,0.5629915338269451,-4.256801952705042,-0.7429188425636679,17.346045554932235,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0023,10.172588521950903,10.89233171722533,11.607781143701263,12.311766055630216,12.99709483507534,13.65767678765807,14.288951114899056,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_29,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0943085421081764,0.6445648239713404,1.85246689261982,3.214856216460267,4.248567269502475,4.858856722446309,5.164583225667458,5.304672114476581,5.356802839926664,2.776626078364942,0.4650733981267893,0.0042683105661674,7.010378254169622,3.3708837723913843,4.224239649299347,1.020658368367219,9.49905354610748,21.208471836456084,0.908975643312605,4.253144315393777,0.7428530862818671,31.181427339316286,6.700341530287811,15.269105095728875,0.5636966363596939,-4.253144315393777,-0.7428530862818671,17.370267061199836,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0023,10.235991550379117,10.950010270893502,11.660621255697444,12.360442997551456,13.04213292531076,13.699492226481556,14.327882199859372,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_30,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0943332214433426,0.6446472672605146,1.8526979714929672,3.2157499574067323,4.250426144382989,4.861436245434577,5.167554478141979,5.307828364704571,5.360028720049909,2.7772298963226154,0.4651428204746193,0.0042704837362008,7.014816381153576,3.373082735759004,4.2265252081392815,1.0211280060641936,9.49854811810044,21.20750280573995,0.909642316850921,4.264066864705576,0.7421805463699243,31.19793536530688,6.692959843102446,15.252314028006325,0.5623129523493413,-4.264066864705576,-0.7421805463699243,17.30476078524369,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0023,10.260146212395776,10.973104767488042,11.682672066175588,12.38145177121126,13.06210224249642,13.718432633282196,14.345814184119948,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0023_31,RSM0023.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0943811026390727,0.6447782209828175,1.8526813766636363,3.214861767961623,4.248408887554545,4.85865147110624,5.1643738754554045,5.30446549764623,5.356597989958941,2.776711321015674,0.4652601610378562,0.0042749791286342,7.007928402449474,3.370618083700529,4.223768727849596,1.0212634947212575,9.498000864701822,21.206137373387435,0.9098662929255792,4.270078436171555,0.7422047650505922,31.20711309795584,6.687338016625699,15.239788010419312,0.561528150831468,-4.270078436171555,-0.7422047650505922,17.27358741419139,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0023,10.24553892449466,10.960720570211087,11.672103063712,12.372366791365318,13.054233479551277,13.71156446265909,14.339773483506017,"[Cu].[N]1C=NN=C1lim,.cat0","linker [N]1C=NN=C1, nodes [Cu], topology lim,"
RSM0337_0,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0025152553592976,0.1562387498527624,1.093218869317269,2.907868904089554,4.684982007368252,5.832709137657029,6.424667979287054,6.6986852755069055,6.801032785420423,2.24708629039695,0.0819841970759469,1.8101510230822536e-06,7.508213079385651,2.424995218363265,4.714176616768869,0.3753819939009993,17.492302174828872,39.96287309367763,2.041444989816356,8.673477784436555,1.7574970965492929,73.43963841300055,-17.492302174828872,-39.96287309367763,-2.041444989816356,8.176137906640289,1.7574970965492929,-73.43963841300055,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM0337,20.14607413128465,20.50736480606029,20.79272154416084,21.02161796559496,21.207785424095267,21.3610896520442,21.488744435882545,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_1,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0025150449938562,0.1562219458222767,1.09306817153417,2.9075092381864804,4.684493002954552,5.832163951533114,6.424100277782391,6.698108456014751,6.800452759883195,2.246792129384488,0.0819760331337079,1.8102318035192089e-06,7.506715046676248,2.424368875045676,4.713308706660966,0.3752711303685304,17.49224312434636,39.9627468070827,2.041436698973114,8.673503671546097,1.757507046578637,73.4393533063862,-17.49224312434636,-39.9627468070827,-2.041436698973114,8.176263283868728,1.757507046578637,-73.4393533063862,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM0337,20.13478180851889,20.496282308211736,20.781801078899665,21.01082481625512,21.197093887336283,21.35048035937752,21.478202555201904,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_2,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417644996153959,0.4872243584341528,1.3731364444718153,3.039853026269914,4.775867906265303,5.939667605852124,6.549991288556852,6.834502181079412,6.941069745093511,2.4200544716724024,0.3854537822341076,0.0204513078462453,9.71908990978902,2.547234187306234,6.205206816132082,0.2683839975329072,4.31232208987703,9.3280453672233,0.7000176878923076,9.828831793500502,0.600986456097271,27.475469902868525,4.31232208987703,9.3280453672233,0.7000176878923076,9.828831793500502,0.5983978527789497,27.475469902868525,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0337,3.3685056330990184,4.044118159541705,4.741443738934412,5.44233853361623,6.13275539156006,6.802715531885372,7.445790019576017,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_3,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140255255345757,0.4848066270226174,1.290183466635328,2.623665592263974,3.9416282511809335,4.815848953791543,5.273979068449108,5.4876539797337225,5.5677178594065815,2.141478836448616,0.3839536858503253,0.0200071829057376,8.289194268657576,1.8119041710545671,5.541146728634552,0.1397747612903703,3.064372813275568,6.584798664650379,0.4591291495662022,6.737406009805185,0.5027787464709984,16.817176403256315,3.064372813275568,6.584798664650379,0.4591291495662022,6.737406009805185,0.5027787464709984,16.817176403256315,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0337,3.406873356652361,4.070988932198861,4.757323157383037,5.448282903795926,6.130140109946353,6.793064358969986,7.430658308679953,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_4,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1423083157885296,0.5362095523382223,1.6351706136845583,3.611911992010036,5.613115913296391,6.945209889110149,7.643232880466186,7.968691399732176,8.090618912482224,2.887069897243088,0.4127226519555222,0.0202634682944978,13.613863018870145,4.111592743869559,8.477547598560793,0.5499224082745254,3.431383782806966,7.446297252054561,0.5847562936378903,8.10943413191009,0.4312955103204168,23.776021640617497,3.431383782806966,7.446297252054561,0.5847562936378903,8.10943413191009,0.4312955103204168,23.776021640617497,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0337,3.1813032395669305,3.83977847281908,4.522424277313677,5.21155685522531,5.893302063079332,6.557626928569494,7.197894708991256,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_5,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1377290292138719,0.5481424972003835,1.786409569028499,3.9103262832119823,5.921095441367954,7.204518525570324,7.863267212808304,8.167564140771782,8.281123508339384,3.1502156542774133,0.4140976349435482,0.0190323480766175,16.58761368420026,4.931055236926464,9.98060443676339,0.5773464877915014,0.955578808134444,2.101745698388263,0.1900923389543593,2.476317519769319,0.0688094340804037,8.528569686132935,0.955578808134444,2.101745698388263,0.1900923389543593,2.476317519769319,0.0688094340804037,8.528569686132935,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0337,1.9791252901586365,2.511025153547699,3.097934888880379,3.72222344898498,4.367325520325396,5.019195404468614,5.666826738407611,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_6,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1383812046211263,0.5610240983073073,1.823827847234347,3.956460741623228,5.977619951882411,7.275179056086664,7.94389292257772,8.253434113823422,8.369055045058147,3.194426191412989,0.4223009914771704,0.0190703358976255,16.706865530220398,5.060234966061266,10.037952917341116,0.6283824783401581,1.352699720621819,2.976565241900515,0.2704227447632809,3.516081678728067,0.0949087292455576,12.166093530320568,1.352699720621819,2.976565241900515,0.2704227447632809,3.516081678728067,0.0949087292455576,12.166093530320568,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0337,1.9646044941071783,2.490549168870277,3.071754253751444,3.690775183303806,4.331194133154625,4.979055877464012,5.623388105320105,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_7,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413485498415194,0.4950929193983731,1.3553790037887128,2.960352887497807,4.672188401498794,5.836573230325017,6.4513523573546605,6.738796733509792,6.846595519883967,2.358771448358533,0.3909415107246005,0.0202189789242638,8.954646889402996,2.229973766206559,6.034345841833685,0.3436779007445296,3.8016123302144207,8.294716520475928,0.666070638614895,8.760035023601166,0.4053109555979941,27.77551551577016,3.8016123302144207,8.294716520475928,0.666070638614895,8.760035023601166,0.3938541665458003,27.77551551577016,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0337,3.239439943999253,3.833302578827432,4.454810585872946,5.089010355229504,5.723454788096151,6.34854521095119,6.95741005842532,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_8,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403533704201832,0.4836429744499476,1.2476753183257616,2.46937060062228,3.683146364559984,4.498579232094698,4.929401721169539,5.1311519170261,5.206878930645584,2.0285343575548045,0.3838951389960272,0.0200300130367805,7.796718971296343,1.5496937085201543,5.311279327258014,0.0996995726845065,0.591671791464781,1.3020045440514063,0.1183343582929561,1.53834665780843,0.0414170254025346,5.325046123183028,0.591671791464781,1.3020045440514063,0.1183343582929561,1.53834665780843,0.0414170254025346,5.325046123183028,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0337,3.529673823352119,4.187825459341052,4.8677202469840015,5.551785917399701,6.226476748257574,6.882181733233374,7.5126972983137215,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_9,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417166450437602,0.5210594604937137,1.5361056440059513,3.333916572422671,5.118742398152912,6.284739372733882,6.889006553233124,7.16924683754661,7.273994319609405,2.678027704973533,0.4040881003346738,0.0202330248943891,12.386284487771077,3.504939498051674,7.864978558126199,0.4405000055643113,2.8223661543162675,6.094288698947047,0.4515016916289823,6.434379687348128,0.409387266866397,17.49328764244743,2.8223661543162675,6.094288698947047,0.4515016916289823,6.434379687348128,0.409387266866397,17.49328764244743,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0337,3.360227902413613,4.021927971241663,4.706717526994564,5.396534176383466,6.077463453171233,6.739619420506045,7.376595347926449,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_10,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1423277675233606,0.4962398077354131,1.3331033684569646,2.774044743257311,4.253872856396284,5.255826797366853,5.785824393926782,6.034025552126417,6.127181156526627,2.2450751991136606,0.3920880506142354,0.0205011160266351,7.692269444729482,1.884184012016824,5.241570179160022,0.3239968239204308,4.313762674563011,9.339459160626983,0.6925625195145004,9.540721681952055,0.5902546102089867,27.044937771225808,4.313762674563011,9.339459160626983,0.6925625195145004,9.540721681952055,0.5805497651293426,27.044937771225808,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0337,3.532050903126562,4.129955869609937,4.750723184696667,5.380406150779486,6.007527786741616,6.623324697159746,7.22159725214448,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_11,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415511943271353,0.4868901544790279,1.3727393949509332,3.0393828981026987,4.775351838393064,5.93913673403986,6.54945705040459,6.833967314273435,6.940534790031057,2.4196084267113136,0.3851379066728023,0.0203905131749508,9.717229531218578,2.5465813531548926,6.204142693905227,0.2683254236491204,4.310522112915211,9.32411777918437,0.6997026426705273,9.82469035324423,0.6007860172191111,27.462339951375945,4.310522112915211,9.32411777918437,0.6997026426705273,9.82469035324423,0.5982029512346883,27.462339951375945,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0337,3.3589394166128668,4.034074146142372,4.731143497881193,5.43198074741099,6.122519198978523,6.792766452576602,7.4362852773237025,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_12,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402266263186339,0.4847159100197928,1.2899458800847017,2.6232314411427886,3.9410296023080833,4.815153403814169,5.273235838361044,5.486889151580314,5.566945037131235,2.141111714599345,0.383883873321881,0.0199995550236167,8.287068168687181,1.8112949493739103,5.539865788900027,0.1396922367752712,3.064472529856584,6.585013911623681,0.4591450341938518,6.737632803407399,0.5027933366727075,16.817789744286706,3.064472529856584,6.585013911623681,0.4591450341938518,6.737632803407399,0.5027933366727075,16.817789744286706,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0337,3.406823785458039,4.07143069508061,4.7581772693955084,5.449448210110734,6.131497722009071,6.7944804485265,7.431986713353882,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_13,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422960024777243,0.5361680387360654,1.6351132654796092,3.611860271526224,5.613040036170057,6.9451042201378215,7.64310830678374,7.968557354853349,8.090481219860685,2.887019199567126,0.4126898992005276,0.0202601592166512,13.614733668577667,4.112014731927734,8.477818207778187,0.5498061960244883,3.430959672390664,7.445385818870169,0.5846927066467755,8.108501325564868,0.4312246499226536,23.773691103320967,3.430959672390664,7.445385818870169,0.5846927066467755,8.108501325564868,0.4312246499226536,23.773691103320967,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0337,3.1815722583334125,3.8402626757976432,4.523156672118087,5.212546741120686,5.894542157222621,6.559099635998551,7.1995769353808265,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_14,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.137699384216835,0.5480568497477902,1.78616644214879,3.9098707585234345,5.920483224232829,7.203826317012023,7.86253957758937,8.166821375655456,8.280375292701722,3.1498301094819268,0.4140312823466529,0.0190244840574528,16.584090698184625,4.929868929854175,9.978910694754806,0.5773038141379867,0.95535044670235,2.1012206177461707,0.1900247857589538,2.475548732773981,0.0688344754845071,8.524982769615022,0.95535044670235,2.1012206177461707,0.1900247857589538,2.475548732773981,0.0688344754845071,8.524982769615022,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0337,1.9785339136043496,2.5103218545738426,3.097136859463608,3.721350075923824,4.366396300145612,5.018228565139024,5.665838463567391,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_15,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1384513013201188,0.5611383798471516,1.8238954364008773,3.956416739147996,5.977479662696725,7.274980052799214,7.943664356394696,8.253192009766192,8.368807907497386,3.1944207890396257,0.4224105072824769,0.0190893605517056,16.706529292281267,5.0602956208163565,10.03765522721442,0.6283869517914251,1.352119097089456,2.9752944594487416,0.2703133220515662,3.514625673501986,0.0948555193581209,12.16133705816236,1.352119097089456,2.9752944594487416,0.2703133220515662,3.514625673501986,0.0948555193581209,12.16133705816236,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0337,1.967083381065774,2.493369521061671,3.074887604623396,3.694179060239888,4.334819407557198,4.9828523901000015,5.627308400136284,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_16,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413113668041061,0.4950069458666525,1.3551832378934243,2.9599133969949114,4.671480608787111,5.835695685772247,6.450390549662007,6.737796846793964,6.845581570340731,2.3584273792722747,0.3908699880387177,0.0202086759729372,8.95235967218391,2.229060577384035,6.033180289588647,0.3435782576261178,3.8010971932757975,8.29365300912587,0.6660003371863158,8.758444131926451,0.4051596970577268,27.773390104737352,3.8010971932757975,8.29365300912587,0.6660003371863158,8.758444131926451,0.3936870188079214,27.773390104737352,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0337,3.2360545212124987,3.829789775569289,4.4512316331841575,5.085415916494337,5.719884649491627,6.3450293752968125,6.95397036461074,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_17,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403821548466354,0.4837121510686735,1.2478325184522974,2.469692840861387,3.6836074431943215,4.49910261918151,4.929947503744561,5.131705757701469,5.207435404374525,2.0287964536783,0.3839523376221048,0.0200378944965972,7.797968513140336,1.550177013016026,5.311947610766355,0.0997515673257954,0.591455598656642,1.301528800535071,0.1182911197313284,1.5377845565072692,0.0414018919059649,5.323100387909778,0.591455598656642,1.301528800535071,0.1182911197313284,1.5377845565072692,0.0414018919059649,5.323100387909778,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0337,3.5302765906535263,4.188387509261504,4.868227573463812,5.552229388011254,6.226851157652321,6.882484724372814,7.512928424676733,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_18,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417580856052318,0.5211031139001931,1.535858817970818,3.3331360295719694,5.117585870677083,6.28340367568662,6.88759430464025,7.167802389431287,7.2725383405806205,2.6774235684152585,0.4041436527054965,0.0202445315338091,12.381406103461956,3.502644694240763,7.8624951703863,0.4401636288483017,2.822478295860144,6.094541520432405,0.4515299862113145,6.43471818555066,0.4093841175115492,17.494707555491292,2.822478295860144,6.094541520432405,0.4515299862113145,6.43471818555066,0.4093841175115492,17.494707555491292,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0337,3.363555872771923,4.0253684693046825,4.710208191866727,5.4000239580727305,6.080912875361095,6.74299938522102,7.379885405631523,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_19,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422780037132371,0.4961631658611554,1.33303219286065,2.773893365544244,4.25358271733403,5.255429921417477,5.785368166316686,6.033540905593712,6.126685743798835,2.244963404074962,0.3920135634251135,0.0204870403759274,7.691082147297142,1.883957977414331,5.240897313371984,0.3240998004829422,4.313119516322873,9.337971402236708,0.6924471676958507,9.540372511904982,0.5903116532465686,27.03955744823148,4.313119516322873,9.337971402236708,0.6924471676958507,9.540372511904982,0.580644471108947,27.03955744823148,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0337,3.529349584989374,4.127304743245108,4.748166682974884,5.377976336390248,6.005245118068508,6.621200116171494,7.219634522558655,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_20,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.155055872908081,0.7796270590675534,1.9265524202458688,3.64580259175468,5.375738374538932,6.540594324788035,7.1549942134266455,7.442311362968148,7.550081081065456,3.0225971611311606,0.6011443594575503,0.0094955694931262,9.169329888127,4.592114632647223,5.163988610248974,1.3075206816469414,1.8709344883415904,3.8899311750785537,0.1537430448872163,3.1008788474393216,0.54763477120304,12.429533339452282,0.3335040394694272,0.5067355259520169,-0.1537430448872163,-0.8964403196283038,0.4400146397819885,-12.429533339452282,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,6.270564392053041,7.042626663115304,7.814002561734592,8.578208937127913,9.329652733654504,10.063433586567008,10.775370109974306,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_21,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1027049847114007,0.7343887326793191,2.223791269474793,4.325861027000995,6.275977002576672,7.5467408540925724,8.209189546146963,8.517606216644953,8.633094321505057,3.590540213677927,0.528812053220592,0.0037559365441172,13.18605876382578,6.18144410221234,7.870069892728871,1.8046252084162195,0.6470127783650036,1.4096949563400627,0.1157167136523859,1.5727464875840909,0.0714954718670646,5.549398164872735,-0.5101543581588559,-1.136711500271789,-0.1157167136523859,-1.435888067377943,-0.0095062276896053,-5.549398164872735,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,7.444975402361159,8.221966804664959,8.986734373251364,9.73633589124044,10.467339399825017,11.176268633424009,11.859989976960088,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_22,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2180620860896859,0.8981091321780387,2.163775854868343,4.043124122933158,5.829755273119859,6.988458687962432,7.589045687084509,7.867804872480744,7.972047320506708,3.3742327488219885,0.7072979405755333,0.0235790045288116,11.863688766647646,5.716093207144105,6.955230659142669,1.7032796465065174,1.9586959142670053,4.294923890844757,0.3767910809650496,4.973024561987403,0.168499727964228,17.32930119063602,-1.809214895383492,-3.996559777153264,-0.3767910809650496,-4.82354354310389,-0.0952540287113064,-17.32930119063602,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,8.959490940058059,9.743272157753928,10.504717507553837,11.239266347378756,11.943312100531372,12.614329710574046,13.250822766410051,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_23,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.102277618926637,0.7310951301315858,2.177753398783378,4.049723911469994,5.636949802890992,6.624761626365415,7.130119869428008,7.363626889248747,7.450805212833204,3.4180277712348817,0.5267815813288244,0.0037312411724538,11.31124887429855,5.46016035649842,6.860810714191842,1.7307029552834277,0.8060348403868425,1.762935451869207,0.1507397713311317,2.0119530110358963,0.0762026955516719,7.044969628556847,-0.7013628729244755,-1.55417160095344,-0.1507397713311317,-1.9072810435735288,-0.0293151443801202,-7.044969628556847,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,7.575049652046149,8.343772862421847,9.101226871034836,9.84439318343974,10.569740579759433,11.273693736253078,11.953029706143203,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_24,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1549928627530423,0.7809185833678597,1.8844881353016925,3.329979814653072,4.643935841882102,5.48880454555953,5.926034596337713,6.128896967592967,6.2047492391480406,2.828507197148612,0.6018559477133618,0.0095084362867224,7.354016414881018,3.878818609596596,4.212395181706022,1.250466127253786,1.8896853481776816,3.9353609657443633,0.1580083988766172,3.119722706035637,0.5441206704321774,12.521089433165082,0.3339083830936395,0.5117928536747443,-0.1531469941401911,-0.942312319760364,0.4327855805080815,-12.367955183967656,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0337,6.629793634180351,7.36458703821714,8.101983455735539,8.835530578762713,9.559623433184925,10.269278510189949,10.96015927794366,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_25,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2152136578164708,0.8937351075053848,2.142563871737281,3.9575659372865553,5.693631574453272,6.829909209403866,7.421706036466205,7.696966935272559,7.799989906365358,3.3119939692378013,0.7027978048577678,0.0230305058999951,12.10959386721984,5.411660920849107,7.365508766890095,1.6709300515839778,1.9311934288292965,4.249691562197166,0.3862386857658593,5.02110291495617,0.1351835400180506,17.380740859463668,-1.9311934288292965,-4.249691562197166,-0.3862386857658593,-5.02110291495617,-0.1351835400180506,-17.380740859463668,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,9.135134038264248,9.910097965570609,10.662898799951108,11.389468536933592,12.08633549594242,12.750945958214464,13.381714013379971,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_26,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1009438576510491,0.7414806921464258,2.3686238991298167,4.824952049796504,7.121039898336941,8.601003477235988,9.36629925878196,9.721146145847449,9.853785715902829,3.957442554079643,0.529842840537285,0.003639990654284,18.674974841106444,7.732563421413128,11.205738766819268,2.011370901862518,1.0377034803770997,2.283520469150788,0.2075406960754199,2.6980290489804584,0.0726392436263968,9.339331323393894,-1.0377034803770997,-2.283520469150788,-0.2075406960754199,-2.6980290489804584,-0.0726392436263968,-9.339331323393894,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,7.156940865892044,7.994590898108553,8.811291921979924,9.604818095235071,10.372724700938711,11.112536267081923,11.822034574816511,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_27,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168598067180682,0.9003081967929116,2.2623495022952214,4.501411849855228,6.742665807914806,8.219312963961071,8.987763747572217,9.34480307082023,9.478357075745356,3.684153766618333,0.7067671333875786,0.0233453049594915,16.173631004592156,6.870531795064519,9.59132389348416,1.843596588638001,1.5433657735082416,3.3961317324949394,0.3085520044410607,4.011781809036727,0.1082627608841785,13.88786895636242,-1.5421542709023657,-3.3937155722729107,-0.3085520044410607,-4.010570306430851,-0.1077236422245637,-13.88786895636242,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,8.95845631898141,9.745557526922816,10.50815780689133,11.242805785012154,11.946443426914575,12.616811772108203,13.252543670681847,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_28,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1916369316963345,0.97101403555814,2.794839999203215,5.498448170866469,7.928057639131582,9.43949415644662,10.20560782760412,10.557485653120638,10.688488732231878,4.553698903579577,0.7263763361570598,0.0201606996799336,22.64156122093853,11.160572065812108,12.14061871736792,2.535298257289985,1.626070175545002,3.578251976935906,0.3252140351090004,4.227782456417005,0.11382491228815,14.63463157990502,-1.626070175545002,-3.578251976935906,-0.3252140351090004,-4.227782456417005,-0.11382491228815,-14.63463157990502,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,7.217733236771843,8.2275470658127,9.21372186165716,10.16244242737295,11.064450907733178,11.914306947671696,12.709551155384116,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_29,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1923027085631158,0.973237349950588,2.80168276402616,5.511729482156834,7.947441563001111,9.464184880308816,10.233629355354823,10.587199106299554,10.718859240576675,4.564897826695347,0.7281820421535249,0.0202248193388886,22.73688834217156,11.195544061092656,12.2138909593753,2.5437061882688465,1.6235641572179544,3.5727373532942845,0.3247128314435909,4.221266808766682,0.1136494910052567,14.612077414961592,-1.6235641572179544,-3.5727373532942845,-0.3247128314435909,-4.221266808766682,-0.1136494910052567,-14.612077414961592,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,7.283153006408804,8.280772428296348,9.257515102175986,10.198823774376436,11.094917111210368,11.939992685331246,12.731338214986,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_30,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2280939327777505,0.9387120768089676,2.137791485084745,3.748240232445773,5.307550650920117,6.355344566100323,6.9096956031186485,7.169478117537861,7.267016974204359,3.1779050267211764,0.7408434628087512,0.0242609118218744,9.650368097279994,4.9576065227363815,5.8279263425289125,1.6733286766670128,1.792085059545382,3.8853862253629177,0.3015454178429365,4.2044484022888735,0.2442178005423406,14.99133365458564,-1.2233691188839833,-2.750277497888179,-0.3015454178429365,-3.6357324616274753,0.0331360080522852,-14.99133365458564,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,9.059770679304084,9.76681822625347,10.46619475700466,11.151472078540358,11.817156842761609,12.458903651625576,13.073547395796227,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_31,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179214854270697,0.9200177516931968,2.1935813017641608,3.8841210241728192,5.436528401026874,6.449606929582701,6.979087085275655,7.225980202663851,7.3184965623408,3.2968092242312776,0.7200030946917902,0.023236021324086,11.076269488647132,5.395618970909245,6.67885463192234,1.7664880673788073,1.7559645522969438,3.8640913074861447,0.3511929104593888,4.565507835972055,0.1229175186607859,15.803680970672495,-1.7559645522969438,-3.8640913074861447,-0.3511929104593888,-4.565507835972055,-0.1229175186607859,-15.803680970672495,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,9.51079785554028,10.22975426543732,10.930578661619196,11.609670280441728,12.26382488556164,12.89051223561188,13.487967310166209,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_32,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1013971989230147,0.7454956676070211,2.388578418503862,4.845005251892053,7.060940480354836,8.444056127987189,9.146381857154012,9.469226414132024,9.58946157479438,3.985722706208157,0.5325260499277075,0.0036555790120551,18.786189593214843,7.793922071446007,11.309759497452138,2.043282006354436,1.090047505728693,2.3987062188262867,0.2180095011457386,2.834123514894602,0.0763033254010084,9.81042755155824,-1.090047505728693,-2.3987062188262867,-0.2180095011457386,-2.834123514894602,-0.0763033254010084,-9.81042755155824,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,7.31132946361756,8.093185620425775,8.86587558952285,9.625324933559808,10.367199502868454,11.087349166709547,11.7821682021544,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_33,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.218620120183798,0.921766367603896,2.2781561574726945,4.297265117526726,6.209408627253746,7.442099182346424,8.07822961414899,8.37279562873688,8.482834469188907,3.57905741853992,0.7208843386706919,0.0234355534866406,14.349790875640416,6.521154384449861,8.508089947763125,1.8840521418503309,1.7381644867607509,3.790464817891362,0.3142127367533376,4.251866380787452,0.1843343151960259,14.975077168870508,-1.403962880772626,-3.123949844988945,-0.3142127367533376,-3.917664774799327,-0.0356146005313101,-14.975077168870508,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,9.539503025502116,10.26833686888845,10.977421310275076,11.663403018488385,12.32325680412739,12.954607232527042,13.555832792686216,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_34,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.229898482897675,0.9426543850915744,2.1367798554156896,3.738129311772457,5.295216687774032,6.342848927208959,6.897103240735491,7.156799900098865,7.254297597359945,3.170084541757365,0.7444469445744166,0.0246264572028773,9.825009326488257,4.96580333640843,5.965789639706146,1.6726236759951048,1.985961285164028,4.300391669644437,0.3264593160555376,4.572436274181039,0.2800780932941713,16.394193931260716,-1.2606322043718554,-2.843906126940729,-0.3228593818516389,-3.881306568325904,0.0510165819247104,-16.28079600383791,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0337,9.11253995362146,9.81389979242663,10.5099244618962,11.193384899625048,11.858285770952447,12.499967185038882,13.115060971152436,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_35,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1549848618226132,0.7795515614284896,1.9267231514063656,3.646380505072883,5.376684802082692,6.541758887229618,7.156264307656805,7.443628642592992,7.551415711968902,3.0230305602557666,0.6010497958460436,0.0094844830959064,9.172956031151882,4.593407149222081,5.166046907328991,1.3077418973397783,1.8700947661282568,3.888068891019352,0.1535607590479459,3.098580838511825,0.5476125478605217,12.421689011600208,0.3344871756487981,0.5088845365745969,-0.1535607590479459,-0.8939988967347694,0.4401200165269597,-12.421689011600208,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,6.292866754203483,7.064580897612573,7.835879370574277,8.600218259946853,9.351943876809326,10.086103767614103,10.798475436677226,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_36,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1028239641551788,0.7346528325179911,2.2240867325879288,4.326378120631306,6.27675674700856,7.547686606166509,8.210217811751734,8.51867183942438,8.634173755215652,3.590964977557029,0.5290646642716837,0.0037653486310184,13.188727467007036,6.183344327915241,7.871392301919619,1.8051336803338285,0.6452575414112233,1.4058914590709772,0.1154230571447464,1.5686419985691953,0.0712601522551968,5.534748849951047,-0.5089730300362413,-1.1340529333888842,-0.1154230571447464,-1.4323574871942133,-0.0095359877461256,-5.534748849951047,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,7.455897864458294,8.232668529533406,8.997194899653092,9.746548315864604,10.477309924899606,11.18601428906037,11.869535512613,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_37,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179246204356636,0.8980049271719102,2.16357030126878,4.042540753341211,5.828861453659158,6.987431508071145,7.587971804356927,7.86671441640651,7.970951484449361,3.373788306316322,0.7071840999288553,0.0235241861726328,11.86248253107493,5.714514571112644,6.954637484037743,1.7026767962819382,1.957736023210845,4.292715768100467,0.3765054028038058,4.969779245641292,0.1686293054853217,17.31878817213034,-1.807318004827213,-3.9924814034067375,-0.3765054028038058,-4.8193612272576605,-0.094924476477342,-17.31878817213034,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,8.957938846049355,9.741544626472953,10.50273052915608,11.23697855593128,11.940714133122862,12.611434685189664,13.247658525243445,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_38,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1022135024872571,0.730883216018987,2.177593711820649,4.049817694244017,5.6372538356260735,6.625170927710612,7.130574279736324,7.364100149924784,7.451285192441804,3.4180305320915827,0.5265952378563621,0.0037271518858754,11.312256369105326,5.4602122977155725,6.861154337484298,1.7304649566338723,0.8055458518852673,1.761835106415381,0.1506186781771184,2.010495277302215,0.0762044276143217,7.040102822968705,-0.7006409298859171,-1.552607228584762,-0.1506186781771184,-1.9055903553028648,-0.029228647109661,-7.040102822968705,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,7.55660449608893,8.3255093764745,9.083250987577738,9.826764053579724,10.552480305187146,11.256797732645984,11.936475848336611,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_39,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1550575897834748,0.7809953982858555,1.884523551135032,3.330123907664584,4.644281341786654,5.489297360382277,5.926605229526859,6.129503770743907,6.205369559531444,2.8285942507712947,0.6019398164795058,0.0095198733685076,7.354301808394162,3.8792461374843374,4.212136998241821,1.250531080505839,1.89244955045146,3.9411326586771858,0.1582332635071202,3.1240117052686447,0.5448373731596465,12.538702856925992,0.3346197391229557,0.5130471516986227,-0.1533326987585806,-0.943497780805355,0.4333390039923815,-12.384335067346996,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0337,6.596327984434306,7.330850833027504,8.06802147981531,8.801378779428033,9.525312967681415,10.234838410476192,10.92561762786702,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_40,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2151699794837652,0.8936085975421065,2.142250837497932,3.956998912815467,5.692837828355035,6.828977755207128,7.420706409515274,7.695936422335896,7.798947966711802,3.311515465739363,0.7026971034550238,0.0230216029772493,12.106790870926329,5.410055905738747,7.363946797959516,1.6703872727887683,1.932368668615416,4.25227773845899,0.3864737337230831,5.024158538400081,0.1352658068030789,17.39131801753874,-1.932368668615416,-4.25227773845899,-0.3864737337230831,-5.024158538400081,-0.1352658068030789,-17.39131801753874,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,9.122182354268764,9.89771087722584,10.651040552813276,11.378091166695464,12.075382606658382,12.740356358975705,13.371424854783536,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_41,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1008910870233412,0.7413009093786311,2.368593547669548,4.825443973982133,7.121973203822626,8.60217096958033,9.367573333088576,9.722466535364855,9.855122933775688,3.957747063128476,0.5296856259714281,0.0036361575940672,18.67906304340381,7.733820840570286,11.207745276982685,2.0114479359885378,1.0345387855923114,2.2765563937127324,0.2069077571184622,2.6898008425400093,0.0724177149914617,9.310849070330802,-1.0345387855923114,-2.2765563937127324,-0.2069077571184622,-2.6898008425400093,-0.0724177149914617,-9.310849070330802,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,7.161136822213305,7.998852164946395,8.815667850604159,9.6093377298649,10.377400829799315,11.117369834825814,11.827018595988328,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_42,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168214132622049,0.9002074002608589,2.2623263957251,4.5016690972238,6.743157600757819,8.219926019063243,8.988430483664589,9.345492708706637,9.47905495937189,3.684310464393738,0.7066774870624869,0.0233398814759546,16.176511207235574,6.871505104697213,9.592841837546722,1.8435133360091225,1.5443986256402904,3.398397078454389,0.3087513015476821,4.014409038021747,0.108348698008025,13.897019159155096,-1.5431143898365314,-3.3958358627791623,-0.3087513015476821,-4.013124802217988,-0.1077772130753522,-13.897019159155096,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,8.97362376325351,9.76092910842934,10.523691124731574,11.258466512918533,11.962204263706818,12.63265118929491,13.268444759254152,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_43,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1915980925721186,0.9708944077225724,2.794583596248176,5.498031307615428,7.927528238686547,9.438911464918252,10.205003030759404,10.55687179171916,10.68787166932248,4.553334229559495,0.7262796837369018,0.0201525157522186,22.639741143428893,11.15885451326243,12.139967129026951,2.534766222573331,1.626290635887933,3.5787371113844624,0.3252581271775865,4.2283556533086255,0.1138403445121551,14.6366157229914,-1.626290635887933,-3.5787371113844624,-0.3252581271775865,-4.2283556533086255,-0.1138403445121551,-14.6366157229914,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,7.223473717822044,8.233327403279612,9.219518948695129,10.16823841449525,11.07023310053678,11.920067066221897,12.715284388591428,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_44,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1923709359515973,0.973297445614583,2.801546868865795,5.511406822920997,7.9470278338464,9.463731765730705,10.233159094158069,10.586721413850311,10.718378840975666,4.564626406430114,0.7282602825401563,0.0202436062737945,22.73516492641124,11.194309002896873,12.2133753735802,2.5434014167602657,1.6225799036349449,3.5705714521036853,0.3245159807269889,4.218707749450856,0.113580593254446,14.603219132714504,-1.6225799036349449,-3.5705714521036853,-0.3245159807269889,-4.218707749450856,-0.113580593254446,-14.603219132714504,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,7.288255699467757,8.285953457158513,9.26277761407263,10.20416657474592,11.100335582840149,11.94547997213985,12.736886294413344,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_45,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2280772973688811,0.9387174029766162,2.137738468002784,3.747978771430735,5.3071005642557925,6.354797466031484,6.909107004708466,7.168872294594707,7.26640503886163,3.177721414248639,0.7408444697645926,0.0242521587345715,9.648763785553513,4.956974054528683,5.827133140824451,1.6732063691185644,1.7923503306933988,3.885955424084525,0.3015842425194682,4.205024270849145,0.2442665020567623,14.99343650385636,-1.223492094501283,-2.750562656362484,-0.3015842425194682,-3.636166034657028,0.0331575322931348,-14.99343650385636,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,9.054463560250428,9.76141019518588,10.460692194203707,11.145881751485923,11.811486093130856,12.453160163817586,13.06773888837802,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_46,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179743264307238,0.9201220645533492,2.1936859878242663,3.884222036842399,5.436644258144853,6.449736376487713,6.9792237289515535,7.226120114990532,7.318637678233286,3.296908733555222,0.7201005186829573,0.0232460006075712,11.07596277831096,5.3959678013629935,6.678422970162989,1.7666452044454406,1.7556111973699884,3.863313731594922,0.3511222394739977,4.56458911316197,0.122892783815899,15.800500776329894,-1.7556111973699884,-3.863313731594922,-0.3511222394739977,-4.56458911316197,-0.122892783815899,-15.800500776329894,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,9.50639896542322,10.225093468616173,10.925699326948193,11.6046082464436,12.25861057103138,12.885171815564124,13.482523389008165,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_47,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1013737058520959,0.7454207146620951,2.388393279420692,4.844602460034828,7.060370491489652,8.443402987925424,9.145692473875634,9.468521652629232,9.588751286708511,3.9853948010637423,0.5324623205247209,0.0036540736016684,18.783443554494266,7.792404389503704,11.308575734015726,2.042929516357914,1.0907370253452324,2.400223542597502,0.2181474050690464,2.835916265897604,0.0763515917741661,9.816633228107088,-1.0907370253452324,-2.400223542597502,-0.2181474050690464,-2.835916265897604,-0.0763515917741661,-9.816633228107088,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,7.313540676618478,8.095411577450447,8.868115683140806,9.627578055528335,10.369463788978567,11.08962211541886,11.784446929152118,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_48,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186528694600868,0.9217921873614384,2.2781197283400885,4.297140474246452,6.209237263874499,7.441912220732724,8.078038010407909,8.37260255579553,8.482640950912137,3.578959402885745,0.7209155795925053,0.0234465220645985,14.3475105902502,6.520662539058552,8.506794450479171,1.8841331847903304,1.73678813100059,3.7875676259726223,0.3140650594190127,4.249308606352692,0.1839987318846133,14.965241843383202,-1.4038624631895376,-3.123597320373652,-0.3140650594190127,-3.916382938541639,-0.0358468097086952,-14.965241843383202,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0337,9.54280983816025,10.271608703010555,10.980678050786096,11.666659152407798,12.326522180790793,12.957888082671165,13.559132673547706,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_49,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2298666741994056,0.9426308665147692,2.136714129421908,3.737898335802039,5.294780722516245,6.34227449274815,6.896457850423957,7.156121982715381,7.25360759597241,3.1699214642568427,0.7444215701473992,0.0246139148030532,9.82317932640448,4.965127105530652,5.964790300767023,1.6724477490086886,1.987126392601588,4.302955323458692,0.3266664928741969,4.575011489476889,0.2801798753321291,16.4035270733306,-1.261362217484472,-2.845512784443407,-0.3230312291430149,-3.883782319806003,0.0509680407605141,-16.289016265798367,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0337,9.114880424074208,9.816498833720336,10.5127052078345,11.196295622915803,11.861291481955458,12.50304402339766,13.118192482703863,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_50,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.097566189812546,0.6161839664918652,1.8629916127872737,3.732211365115508,5.509714804295652,6.67055573814961,7.274900099545535,7.555987818530579,7.661193020448271,3.068778142145408,0.4490264264041494,0.0048026436778284,10.950722485260249,4.227553989127136,6.836247224064839,1.1401464090543172,4.838690190253294,10.72872631752915,0.5055740179422079,4.0145219603483016,0.7159688162951555,21.384270527435024,2.061783533344953,4.9179470743193,0.2434660395105081,-3.855408753824499,-0.6523235336856348,10.104385357548026,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0337,10.577497751707918,11.31238430485088,12.027572796371215,12.71880148927612,13.382267841339765,14.015027769057673,14.615119073332131,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_51,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975713592238872,0.6161721807673539,1.8629260461617163,3.73201372457613,5.509372209667517,6.670121913966816,7.27442093017416,7.555488117004414,7.660685727741068,3.0686324704695505,0.4490216748853509,0.0048033256727726,10.94971893020509,4.226998241559966,6.835808484553444,1.1401333216927336,4.839306913154177,10.730045909723728,0.5057317538556336,4.017039266745498,0.7160152082057943,21.389963241071165,2.0603145971559167,4.914680541633354,0.243210042644943,-3.857893924940593,-0.6523570714838327,10.093368083619024,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0337,10.57851353106567,11.31338479772684,12.02856452716096,12.719789063611133,13.383254311142714,14.01601505090206,14.61610829794437,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_52,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0666635940374869,0.3669561790974235,1.2167798877846132,2.763902572878417,4.374774581417326,5.462646286910935,6.036087502685604,6.304105354816408,6.404609784978018,2.1905439354451133,0.2692438482518275,0.0044981176297087,7.304298309064651,2.0894865369237645,4.597135102169437,0.2870866241476945,6.7225517831655015,14.82496597884522,0.8188554476371479,8.642387716041387,1.0845538329589182,31.297255091716863,-0.1619576148519983,0.2021309216859442,-0.0470208396002651,-8.642387716041387,-1.0845538329589182,0.9915850384074126,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0337,14.346402814963865,15.051335975173444,15.688043550470177,16.264276151620756,16.786915137793624,17.261935308754463,17.694490909986303,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_53,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0656994672761177,0.3758686079009964,1.3264612689430684,3.1318945087263224,4.993110892343479,6.226411639193865,6.868825508170746,7.167333766482357,7.27899198453504,2.4616268228936686,0.2727455316991543,0.0043391494209133,8.799732968036862,2.8402347897193656,5.40446824221774,0.4548088321299074,6.6166666947718245,14.637547425193324,0.7877546372330524,7.83671328466539,1.0584643381028824,30.54233821987369,0.582819858186884,1.852937931743904,0.0592437807620897,-7.83671328466539,-1.0584643381028824,5.044458243389999,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0337,14.898045843983446,15.657547424549222,16.332976046541095,16.937518005287934,17.481392439141544,17.97267268171655,18.417873234641444,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_54,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0655827710869695,0.3743685243913676,1.3403822604736024,3.035744450587514,4.681455229176157,5.749100754432401,6.301658523557788,6.557872390014234,6.653639450827424,2.4234601653802827,0.2702582315528473,0.0043821214727775,7.990730308259005,2.5525382639554257,4.979963262727241,0.4808774952344228,4.5753116116038,9.814915456115877,0.4678632613505943,6.639331081082397,1.0192465489695652,22.03711474735592,-2.1968888980584094,-4.367117944193488,-0.1880488244629015,-6.639331081082397,-1.0192465489695652,-0.9198082561164346,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0337,15.38933080058336,16.050139144947625,16.649829761132313,17.19540449574181,17.692796608823546,18.147053809546925,18.56251077371881,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_55,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0661069692284627,0.349418209658946,1.0762998543012183,2.217138529770914,3.285336366932984,3.973881438256756,4.330310141248639,4.495707950808176,4.557556975556483,1.8132584057685133,0.2593401553875346,0.0044818927845789,5.287625812673745,1.2679340674774155,3.431878542563801,0.1110902994827248,6.194305161572898,13.439990263661354,0.7927653062404636,10.36440199270812,1.0957766277030383,29.885512998470247,-3.117268868289206,-6.392012388585496,-0.4307610364423822,-10.36440199270812,-1.0957766277030383,-12.937908995429355,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0337,15.625913928500175,16.245269185520996,16.80896004154841,17.323273066551767,17.793503093030527,18.22413888285192,18.619029753957083,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_56,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0665496439518929,0.3667154509263819,1.216548945165583,2.763906478574976,4.375004621663024,5.462991227505158,6.036481323203449,6.304519468736124,6.405031107771512,2.1904553154667226,0.2690230605128793,0.0044826201615978,7.304868758581146,2.0896013179396085,4.597514923831239,0.2870869980778511,6.725335348592282,14.831254580238474,0.8192405328713437,8.645505795184187,1.084850943667509,31.309799834772,-0.1608507753889174,0.2047533258757845,-0.0469482301415359,-8.645505795184187,-1.084850943667509,0.9931931293212064,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0337,14.455814709049934,15.161754821508206,15.799324415993995,16.37630108983787,16.89958176696054,17.375152046383256,17.8081752405392,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_57,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0657269554836259,0.3759634931867304,1.3266614685641922,3.132081452808873,4.993223570351654,6.226474373523227,6.868864228959227,7.167361925250502,7.279016296159314,2.461832469567502,0.2728196031638097,0.0043427195636608,8.800170940278566,2.840791020921448,5.404477838857358,0.4548675457496685,6.617620425524684,14.639638798210177,0.7879601821543183,7.839495063280027,1.058521716137553,30.547198717883816,0.5816059020708542,1.850250510313136,0.0590076210922155,-7.839495063280027,-1.058521716137553,5.033859080710219,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0337,14.91774119824415,15.677126383677876,16.35243143111664,16.956859341599717,17.500637954562187,17.991844342980873,18.436993685459587,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_58,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0656759464376458,0.3745905342140042,1.3406664547673397,3.035964584158007,4.681545394100001,5.749088099293311,6.30158898829864,6.55777582406647,6.653532687294469,2.4237148747839803,0.2704549100640728,0.0043945158984033,7.990586350094763,2.5531060621522146,4.979389553012452,0.4809544902909947,4.570265593921127,9.803903636979104,0.4668722395264905,6.625762322223093,1.018806522973129,22.01158737565066,-2.1910005777153527,-4.354176823628755,-0.186958708208164,-6.625762322223093,-1.018806522973129,-0.8724957950622514,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0337,15.3752478353971,16.034462707213486,16.63287495880907,17.177410481009556,17.673952637243747,18.1275139227982,18.54240245861617,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
RSM0337_59,RSM0337.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0661126114399474,0.3494161988074341,1.0762138227555558,2.2169393488784794,3.2850684988799097,3.97358813836987,4.330009291414524,4.495404863908741,4.55725325533425,1.813094606930532,0.2593446986430512,0.0044826565593175,5.287047518044504,1.26773327395798,3.4314494665201987,0.1109965133381276,6.195449255632497,13.442443359657268,0.7930071933351912,10.368111566378904,1.0958845223281013,29.89154866019493,-3.1193060047244106,-6.396511005759858,-0.4311079873460045,-10.368111566378904,-1.0958845223281013,-12.95248266364692,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0337,15.54338060091285,16.160266020853715,16.722019811366117,17.234790422082266,17.703776518756694,18.1333979508784,18.52745352798673,"[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql,.cat0","linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1C(c2ccncc2)C(C1c1ccncc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology sql,"
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RSM0854_83,RSM0854.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0283320489067132,0.2582051139815337,1.0415265254108286,2.633694940080024,4.426392046353381,5.683227510288955,6.356314586020263,6.672996324897896,6.792065582388445,2.024374615316202,0.1759241057935257,0.0007951383750694,7.215409705368424,1.8613441579284384,4.623603535426351,0.2580511206249646,5.35657296658746,11.282146592644946,0.714944370707039,8.680976665049627,0.9170125236399522,26.633167878737662,-2.9614216993933167,-6.472203817865669,-0.4155504623077712,-8.680976665049627,-0.9170125236399522,-12.934151276780694,8.0,16.065599999999996,1.0,0.0,0.0,39.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0854,15.428219948002502,16.129844888849043,16.771091700348922,17.35789326319266,17.8949760571473,18.3863639758476,18.835682861167733,[Cd].[O]S(=O)(=O)[O].n1cnn(c1)Cc1cc(cc(c1)Cn1ncnc1)Cn1ncnc1.cat0,"linker [O]S(=O)(=O)[O], n1cnn(c1)Cc1cc(cc(c1)Cn1ncnc1)Cn1ncnc1, nodes [Cd], topology "
RSM0854_84,RSM0854.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0208562569549683,0.2392461430035097,1.172781590173407,3.0498841742648453,5.013828159236619,6.33555796007841,7.031056028475259,7.355891365393349,7.47766838856474,2.349941012050785,0.1543892333496522,0.0004410045989729,8.110396933822784,2.5543589592317417,4.837952643059663,0.3975391666708315,10.508375169270543,23.93867660912604,1.0471165824291877,7.335541680261646,1.0055801911495863,33.96529810948112,4.061216324219458,10.176943320061346,0.1701172852475421,-7.335541680261646,-1.0055801911495863,3.2703227081235258,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0854,14.452038159485348,15.387937270565448,16.22949427352657,16.98340358853888,17.65720298607393,18.25867365202634,18.795423768381013,[Cd].[O]S(=O)(=O)[O].n1cnn(c1)Cc1cc(cc(c1)Cn1ncnc1)Cn1ncnc1.cat0,"linker [O]S(=O)(=O)[O], n1cnn(c1)Cc1cc(cc(c1)Cn1ncnc1)Cn1ncnc1, nodes [Cd], topology "
RSM0854_85,RSM0854.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0206634381922058,0.2497975458884392,1.1651145594678372,2.9044893535416096,4.744277104671782,6.008007330918983,6.680952631740015,6.997021925220581,7.115792729141785,2.257589972390822,0.1607351730234551,0.0004125336390135,7.459061074576422,2.3673956309076902,4.482518628383989,0.3418265923543856,9.44408085540852,21.217638653188253,1.027221508312065,8.709202712385771,1.0198403551064918,33.86740380937621,1.672368056786678,4.586581333717988,-0.0704251348228513,-8.709202712385771,-1.0198403551064918,-4.550228700345872,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0854,14.730781596843183,15.65689351510058,16.48677022307887,17.227934501961954,17.888533326490993,18.47678487678734,19.00059964903712,[Cd].[O]S(=O)(=O)[O].n1cnn(c1)Cc1cc(cc(c1)Cn1ncnc1)Cn1ncnc1.cat0,"linker [O]S(=O)(=O)[O], n1cnn(c1)Cc1cc(cc(c1)Cn1ncnc1)Cn1ncnc1, nodes [Cd], topology "
RSM0854_86,RSM0854.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0223562215548915,0.2521742019997181,1.2716406904382729,3.283849658109799,5.313650457278982,6.647968679754396,7.342230189285739,7.664885435217031,7.785599660711,2.5427914467561927,0.1618678229230863,0.0005102735304815,9.1672718461986,3.1084502778337724,5.350913335275231,0.4561805219439284,10.973505158671848,24.963799297218145,1.1067781360040636,7.670524116165006,1.039175742028284,35.75967110701081,4.286961741963016,10.67343082482761,0.1801280725561918,-7.670524116165006,-1.039175742028284,3.3269188863353034,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0854,14.25729355523504,15.190382817880076,16.02904462682141,16.781378588072066,17.455414151610235,18.058926707498884,18.599284148238496,[Cd].[O]S(=O)(=O)[O].n1cnn(c1)Cc1cc(cc(c1)Cn1ncnc1)Cn1ncnc1.cat0,"linker [O]S(=O)(=O)[O], n1cnn(c1)Cc1cc(cc(c1)Cn1ncnc1)Cn1ncnc1, nodes [Cd], topology "
RSM0854_87,RSM0854.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0283565515981853,0.2581978731318343,1.041156818131689,2.632700391951828,4.424950779469197,5.681595307256026,6.354612881460472,6.671268875764943,6.790329539068285,2.0235910650992976,0.1759446466650448,0.0007967410571378,7.211901259728575,1.860088994197897,4.621299667539484,0.2575540462482829,5.3567852442928325,11.282533933422677,0.7149494420291396,8.680513642758187,0.9170586056681514,26.63418452535367,-2.960918106525069,-6.471153547357455,-0.4154660498081692,-8.680513642758187,-0.9170586056681514,-12.930357688952132,8.0,16.065599999999996,1.0,0.0,0.0,39.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0854,15.4551594717641,16.153141498667804,16.791342603795187,17.37560360082266,17.9105619135843,18.400164615115475,18.84797438225144,[Cd].[O]S(=O)(=O)[O].n1cnn(c1)Cc1cc(cc(c1)Cn1ncnc1)Cn1ncnc1.cat0,"linker [O]S(=O)(=O)[O], n1cnn(c1)Cc1cc(cc(c1)Cn1ncnc1)Cn1ncnc1, nodes [Cd], topology "
RSM0854_88,RSM0854.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0208412059605656,0.2389983572944048,1.1716949067113656,3.0484118007935894,5.012463950904705,6.334312501456734,7.029870421846224,7.354732126375054,7.476518729401569,2.3485077735203954,0.1542437036000982,0.0004404945666027,8.105882500440662,2.5508662099833384,4.835097614668264,0.3962095753483894,10.516781354558583,23.959337632580706,1.0476577728374243,7.334826280184918,1.0058342963701974,33.9778782311803,4.071100166877361,10.200795054997654,0.170894564469492,-7.334826280184918,-1.0058342963701974,3.291165938302677,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0854,14.339395394020984,15.289110937772552,16.142338589117486,16.906159380057336,17.58841517331438,18.19713274212201,18.740120857664536,[Cd].[O]S(=O)(=O)[O].n1cnn(c1)Cc1cc(cc(c1)Cn1ncnc1)Cn1ncnc1.cat0,"linker [O]S(=O)(=O)[O], n1cnn(c1)Cc1cc(cc(c1)Cn1ncnc1)Cn1ncnc1, nodes [Cd], topology "
RSM0854_89,RSM0854.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.020639306375014,0.249714922126635,1.165258966109277,2.905298237506137,4.745667172554265,6.009675798369663,6.68273044279266,6.998842284462191,7.117627668267162,2.2581529871556403,0.1606570338166301,0.0004115752047756,7.46166056087453,2.3686986091817825,4.483771163659398,0.3420394822216205,9.445129260394683,21.22054649809487,1.027163655244586,8.70475899822363,1.0196497527717316,33.8642188820369,1.6777210599577552,4.59873564922006,-0.0698415284454706,-8.70475899822363,-1.0196497527717316,-4.53096254711508,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0854,14.6783918474111,15.60939110466625,16.443621434671403,17.188674590802343,17.852748505980085,18.444104782166043,18.97069329495409,[Cd].[O]S(=O)(=O)[O].n1cnn(c1)Cc1cc(cc(c1)Cn1ncnc1)Cn1ncnc1.cat0,"linker [O]S(=O)(=O)[O], n1cnn(c1)Cc1cc(cc(c1)Cn1ncnc1)Cn1ncnc1, nodes [Cd], topology "
RSM1887_0,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0004844276675331,0.087085626886323,1.012202120384119,3.292408610795213,5.66830230963475,7.215279583409042,8.012417924476408,8.38095476825461,8.518516793313925,2.431062164444263,0.0385661289552079,5.017389697276664e-08,10.919034650291827,3.0310039747915325,6.720704988275083,0.2362201434083291,41.97351778626296,100.50947509920434,3.158427781516183,4.244471154963617,1.20567462591514,79.22235577481808,-41.97351778626296,-100.50947509920434,-3.158427781516183,0.7590599616075848,1.20567462591514,-79.22235577481808,-41.0,-98.4043,-3.0,3.0,1.35,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM1887,20.38082034470144,20.5397994915501,20.663944252699004,20.762628791759152,20.842299890297888,20.90750183001612,20.9615081142836,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_1,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0005545160278399,0.0889497615023483,1.0119808653059026,3.200563102830647,5.421672496284367,6.849887039954671,7.58174362180902,7.919277868339091,8.045141882309146,2.383082931097449,0.0395974824764007,9.76960292180674e-08,10.164316322816694,2.848425224607112,6.347718124968223,0.2439603728536144,41.8197533117792,100.16337229539242,3.120110959639727,3.861800123176984,1.2005538924716206,77.30900061588491,-41.8197533117792,-100.16337229539242,-3.120110959639727,1.2193590111029862,1.2005538924716206,-77.30900061588491,-41.0,-98.4043,-3.0,3.0,1.35,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM1887,19.92144512074277,20.097202308543835,20.23579845703061,20.346853302136644,20.437101893842065,20.5113639469732,20.57315599458138,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_2,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0004990737020459,0.0863685464338654,0.9932508891133964,3.157696415405978,5.372854899550324,6.806396645096526,7.543558034732982,7.884100186653248,8.011174495063964,2.3470562939736808,0.0381926436783853,6.76674287211873e-08,9.988855227505322,2.7434253618024536,6.28039837171463,0.2325916370436156,41.8727052855478,100.28058335055098,3.131373538853292,3.966524258398288,1.1982588416734927,77.83262129199143,-41.8727052855478,-100.28058335055098,-3.131373538853292,1.0763064036258725,1.1982588416734927,-77.83262129199143,-41.0,-98.4043,-3.0,3.0,1.35,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM1887,19.161793116005352,19.3319346813252,19.465813912065222,19.572883311101275,19.65974607732285,19.73111627419184,19.79042521408301,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_3,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.000559173164898,0.0934739927491602,1.0449702267884298,3.3320675843413867,5.705667874541661,7.257162177911946,8.059427892344381,8.431044345755515,8.569874340013593,2.4714029003745672,0.0418278012368483,7.254212964145766e-08,11.006690193435752,3.075280319100792,6.827688351914468,0.2532551561949724,41.96699092611603,100.49727149811436,3.159233456125348,4.262277459638844,1.210564704066377,79.31138729819422,-41.96699092611603,-100.49727149811436,-3.159233456125348,0.7591414248811884,1.210564704066377,-79.31138729819422,-41.0,-98.4043,-3.0,3.0,1.35,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM1887,20.131773580496283,20.295279103389785,20.42378509271145,20.526471199372192,20.6097279539254,20.678105853147,20.734910673860742,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_4,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0129989503791495,0.2863362927904549,1.180939610353709,2.5255259940963275,3.828695400761304,4.703818586895883,5.167389463284207,5.384839478258471,5.466522910837763,2.04774641821721,0.1781931896071212,4.959837475119335e-05,4.566653539814166,2.1053731571709204,2.661984880586305,0.4214162585252455,23.03626663487908,48.96466131077641,2.20882035624954,5.051936927616321,0.5707520970332866,57.43609176307239,-23.03626663487908,-48.96466131077641,-2.20882035624954,1.293170515124609,0.5707520970332866,-57.43609176307239,-21.0,-44.6867,-2.0,5.0,1.13,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM1887,18.09661396280553,18.76694112163828,19.325179161690475,19.792270515932973,20.18529662173356,20.51800461906664,20.801393627597907,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_5,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0085677091473999,0.2378845356667048,1.1261182633637283,2.650344522948907,4.194967979716966,5.232349406332864,5.778663466241556,6.033966795560063,6.129702082878008,2.093858800698828,0.1426281914754169,2.152772320190643e-05,5.459626054347645,2.23716896597339,3.1927343307005844,0.4116076020748691,22.10295472726273,46.934667021327705,2.0454352787665697,4.351398060402965,0.6849662690510582,50.665695877346224,-22.10295472726273,-46.934667021327705,-2.0454352787665697,3.5335630426047127,0.6849662690510582,-50.665695877346224,-21.0,-44.6867,-2.0,5.0,1.13,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM1887,12.754721894413072,13.243782846361428,13.644696673034597,13.975621960547931,14.250850446963089,14.481529914474194,14.676343303222458,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_6,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0089135676129218,0.2435062255524916,1.1291946131646091,2.6016228145765274,4.065529755279356,5.0410659244374285,5.553293839020098,5.792390949970176,5.882008762734648,2.068634505899956,0.1465473119278009,2.226220936369859e-05,5.15621211512327,2.1628869977896006,3.0218141685601347,0.4140273463545996,22.13287302218197,46.995815594158536,2.0468350755635103,4.335477733453142,0.6732458778142101,50.61409017853592,-22.13287302218197,-46.995815594158536,-2.0468350755635103,3.492446373309955,0.6732458778142101,-50.61409017853592,-21.0,-44.6867,-2.0,5.0,1.13,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM1887,10.090571427992776,10.52785136575866,10.88772412740296,11.185666598654096,11.434046635192594,11.642613299633393,11.819018376755952,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_7,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0114384037900701,0.270509951640396,1.1541502967878512,2.5384451091460614,3.907885339505376,4.82901681922626,5.315970730477354,5.544052911213326,5.62966956060298,2.040990385610101,0.1666082552164254,3.780604707659075e-05,4.837540307203272,2.1021112211059867,2.8457082194408256,0.3960882497138044,22.93187342857609,48.73872937253892,2.191648098381894,4.984607555242857,0.585843026599697,56.75599974385216,-22.93187342857609,-48.73872937253892,-2.191648098381894,1.53494178436877,0.585843026599697,-56.75599974385216,-21.0,-44.6867,-2.0,5.0,1.13,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM1887,16.665214807928876,17.26098439762069,17.754797493303396,18.166160330234987,18.510911230241145,18.801713092652022,19.04862697367,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_8,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1801859839864351,0.638632487347268,1.8138314948435248,3.93832920569516,6.033538947326675,7.39217881537808,8.094063463440694,8.419183398418594,8.540650696609246,3.163147157083279,0.5013725931008288,0.0294391475395915,13.8304126308459,4.406129951357867,8.03231840858016,0.5638051614981836,4.693694427356993,10.364541639739803,0.7653949708971822,9.674538767916946,0.4591197130075967,31.20839269419464,4.693694427356993,10.364541639739803,0.7653949708971822,9.674538767916946,0.4420747702717522,31.20839269419464,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,3.7625816860941503,4.294089473561811,4.838474186404293,5.388914784571844,5.938894599079965,6.482694976817221,7.015670790595741,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_9,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1439624640804391,0.640223897083394,2.094064892823374,4.469154025536533,6.645649336415154,8.013406258245661,8.711175368286284,9.03273679787558,9.152630314498158,3.630612028985042,0.475844122563365,0.0190305589628498,18.097615894586585,5.944857179747378,10.23706542500066,0.7230426883085913,3.2666100232791075,7.269242313652133,0.4995702361991938,6.063612122293665,0.3024563529917592,19.83642620812701,3.2666100232791075,7.269242313652133,0.4995702361991938,6.063612122293665,0.2844629561330742,19.83642620812701,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,3.119571725371351,3.5109150599187693,3.946695199325299,4.418753210185755,4.917735414321991,5.434396168164563,5.960436825715481,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_10,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.137087329419126,0.566524792895235,1.722003514490034,3.7490097753814418,5.7702893266006345,7.105972978778789,7.803924605819893,8.129003825407757,8.250739958388994,3.010233647926877,0.431787912794737,0.0176139423820048,16.458246259026403,4.077876878738013,9.997184654972417,0.2451087578084246,1.2341466751363652,2.695673698466884,0.2271470676353192,3.051323216218919,0.1277230287826485,9.72956135879052,1.2341466751363652,2.695673698466884,0.2271470676353192,3.051323216218919,0.1277230287826485,9.72956135879052,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,3.188841598034325,3.661956804162396,4.171483705438935,4.70758338357269,5.260219994796196,5.820305512550328,6.380280908470496,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_11,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1350069421073191,0.6251432094495666,2.091767739781675,4.472668036976264,6.665093482089556,8.054508851391487,8.767173414251994,9.096480802814272,9.219404181167034,3.6322144232583446,0.4604518384584798,0.0168472173489704,19.496677616764785,5.923342858695776,11.439886702591298,0.7619386214695253,0.7043594183298096,1.5499795267244991,0.1408718836659619,1.831334487657505,0.0493051592830866,6.339234764968287,0.7043594183298096,1.5499795267244991,0.1408718836659619,1.831334487657505,0.0493051592830866,6.339234764968287,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.924061209845024,3.381504386161349,3.879172736175652,4.4070248323181245,4.954898384344468,5.513546172648261,6.075187051226516,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_12,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1520232025370101,0.5915737468579181,1.7594252603185945,3.900146515255991,6.118046388138058,7.60875623699094,8.392806687595122,8.758919788716744,8.896158139236729,3.107263897265904,0.4554704794416194,0.0216638131324589,17.262259996212787,4.282308493110049,10.460175854188508,0.2513104201693368,0.7161407203411615,1.5759048944281835,0.1432281440682323,1.86196587288702,0.0501298504238812,6.445266483070454,0.7161407203411615,1.5759048944281835,0.1432281440682323,1.86196587288702,0.0501298504238812,6.445266483070454,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,3.7225791977676064,4.2280919595258135,4.763539249634518,5.317886312027698,5.880661787088815,6.442873776711667,6.997399261302321,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_13,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1427486414532963,0.6170000849463381,2.030442572709121,4.466662781853357,6.792390741120836,8.287486817702236,9.058498879417686,9.415522948488302,9.548902609712297,3.5922117997985032,0.4612366980920925,0.0189219079399257,19.52350115820899,5.805537382908707,11.62363705052044,0.8021319309539655,0.769802108621493,1.6939895697312437,0.1539604217242985,2.0014854824158816,0.0538861476035044,6.9282189775934375,0.769802108621493,1.6939895697312437,0.1539604217242985,2.0014854824158816,0.0538861476035044,6.9282189775934375,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,3.372554333341232,3.8877049379700126,4.434775884153633,5.002182366290649,5.579227089103163,6.156870483946002,6.728026156774526,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_14,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1477689800204977,0.6190040628118613,2.005112976717426,4.519599053979376,7.015470120097165,8.64816176406381,9.49609776001134,9.889877333500436,10.037157320864718,3.6016796912925675,0.4667168782038209,0.0201889880239008,20.37705631314194,5.8940653175603135,12.17842334222411,0.7823251019831398,1.2564059092069653,2.749160595702558,0.2360029732541901,3.1444296952404867,0.1200326516776134,10.238178581758488,1.2564059092069653,2.749160595702558,0.2360029732541901,3.1444296952404867,0.1200326516776134,10.238178581758488,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,3.5954108402923404,4.074936784859396,4.588300112989177,5.125062714939948,5.674942944110435,6.228836241135346,6.779313762202117,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_15,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1446012469421445,0.6307735991293955,2.025796785332941,4.291602927052446,6.389343920388132,7.722104317917632,8.406468284256032,8.722855052922956,8.840979839840294,3.4899436005898243,0.47068481558636,0.0194028051818895,17.033716031138095,5.445872341101118,9.823401837907188,0.6939131247499609,2.890055034870421,6.386002814169181,0.4627086640927897,5.865318943246008,0.2936028267613794,18.665736716509908,2.890055034870421,6.386002814169181,0.4627086640927897,5.865318943246008,0.2827067456958784,18.665736716509908,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,2.013563847689084,2.404901596766392,2.84234121691135,3.316795629118816,3.818170127254759,4.336687642555298,4.8637137442115375,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_16,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1936866169867249,0.6585988000351456,1.728070844031461,3.6194847479303536,5.572001230298381,6.882471741690399,7.571063037458804,7.892439934792868,8.012882119852248,2.9205410269090413,0.5228656257976594,0.0334219755625451,12.49122974768322,3.709781576896275,7.342368373155082,0.385585987467305,4.300637931157893,9.55747298078138,0.6559106386098136,8.023916825948984,0.4134448372027247,25.934561260984903,4.300637931157893,9.55747298078138,0.6559106386098136,8.023916825948984,0.3905847439914134,25.934561260984903,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,4.023854815573977,4.558268244062445,5.09402418505316,5.625768073859518,6.148422243234092,6.657606395564509,7.149821285724826,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_17,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1905508912271871,0.7079468161281584,2.0759514333225293,4.354142216811273,6.542463744822457,7.963588573419642,8.700900647960008,9.04331426525468,9.171394192927533,3.536961332004965,0.5457619949819963,0.0321619271431777,15.693165868163078,5.875807956827746,8.78043063176654,1.007669430032571,4.650745718183711,10.415520798595136,0.6928980499159723,7.95797638385756,0.364941066976932,27.42223050145302,4.650745718183711,10.415520798595136,0.6928980499159723,7.95797638385756,0.3315327154208739,27.42223050145302,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,4.34378962002439,4.8430741816315175,5.351594420161453,5.86468282675923,6.377113048889361,6.883779181974028,7.380150829631155,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_18,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1423197663677612,0.5787590206534451,1.7165754132780822,3.5370936638527524,5.206601101258303,6.2554609538239845,6.79013854543777,7.0364199348530025,7.128224241080483,2.8943703348276584,0.4414658460659009,0.0191490156774165,14.256467507780002,3.669398688997506,8.639484937176363,0.2970219066153607,3.6477028196709433,8.019149259504456,0.592473672309258,7.042437073547337,0.3006940676969231,24.155194286245543,3.6477028196709433,8.019149259504456,0.592473672309258,7.042437073547337,0.2814026237480527,24.155194286245543,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,2.8016348466563787,3.214134238371617,3.672251370640197,4.165947725954352,4.68451863942202,5.217893201454502,5.757381831101686,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_19,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1439466132530149,0.626155337362878,2.057868947718421,4.484797760899811,6.777359695095949,8.243121456532437,8.997029636614382,9.345721433256218,9.47592421647861,3.6176016263387343,0.4671084907230154,0.0192410903008534,19.8011171841808,5.91541273365078,11.476067225819328,0.5985744355354286,1.2273180644817978,2.6834082816852627,0.2284811930263153,3.055167608692321,0.1215753462408186,9.857093189433089,1.2273180644817978,2.6834082816852627,0.2284811930263153,3.055167608692321,0.1215753462408186,9.857093189433089,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.428065417236649,2.886247293934537,3.383815780599717,3.909603010556224,4.452724304920016,5.003531985753931,5.554094598951735,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_20,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1294758911467531,0.5664149861070796,1.771607359905793,3.710315609973216,5.439528299521649,6.502437641046189,7.038268113527572,7.28384070392867,7.375189917169348,3.031308068166863,0.4264244644406607,0.0155497426727523,16.682390268415066,4.317207774342973,10.006623875620662,0.2688953558428191,1.848082764088044,4.007414265834412,0.3115501864706067,4.340484255852898,0.2513051628148671,12.568099232502256,1.848082764088044,4.007414265834412,0.3115501864706067,4.340484255852898,0.2513051628148671,12.568099232502256,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.9105059487851754,3.3368537457058776,3.803315785873072,4.30215840322693,4.824668097418433,5.36235323819826,5.907678576344863,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_21,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416241228200512,0.6050516527543024,1.9198189787502609,4.146077914057464,6.281675434553254,7.664207798262206,8.380118981526484,8.712282513798675,8.836478530722028,3.347018442197631,0.455068025852747,0.0185780690758433,17.76008612913147,4.954415094750881,10.754684978077217,0.6367457621591335,0.657157456481055,1.4461091551742986,0.1314314912962109,1.7086093868507426,0.0460010219536738,5.914417108329494,0.657157456481055,1.4461091551742986,0.1314314912962109,1.7086093868507426,0.0460010219536738,5.914417108329494,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,3.49589604071598,3.97277632622408,4.485704337719882,5.023466668018532,5.575260486443622,6.131689435842252,6.685204033715413,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_22,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.121071816138324,0.5552992954583112,1.8069342853315056,3.809695815231637,5.580961316961608,6.667530382266087,7.215292239498945,7.466387540426613,7.559803125021823,3.1111326594194555,0.4133022384055574,0.0137008939275283,17.35950740621857,4.519111421452205,10.298724054366856,0.2697136311624639,1.957451024614541,4.30495869870476,0.3890320833569327,5.069707691470001,0.1421836270115662,17.44499071191258,1.957451024614541,4.30495869870476,0.3890320833569327,5.069707691470001,0.1421836270115662,17.44499071191258,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.5772219141284607,2.9887984695353573,3.4438499257184336,3.935032736561878,4.453842117753716,4.991833811821446,5.541370594472527,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_23,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1039951675754497,0.5058201270009088,1.7509121941877233,4.000733189437546,6.217572732792987,7.660553701538714,8.407816888535653,8.754353072135387,8.883883833287495,3.181722545956821,0.3721183911496039,0.0105099314625991,17.277289760312335,4.464598722443009,10.652800706586609,0.5136411176790932,1.1037459248449228,2.414860168592205,0.2070703807361834,2.76030897073439,0.105987703628027,8.976197027308224,1.1037459248449228,2.414860168592205,0.2070703807361834,2.76030897073439,0.105987703628027,8.976197027308224,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.1106181809758726,2.538692596297131,3.0211947829825205,3.5483107825411,4.109516673901843,4.694803692119652,5.295304894240016,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_24,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1251768468851124,0.5713892237137093,1.899039215513704,4.1862729668765,6.3635754943742056,7.75401015187995,8.467601837586967,8.79720861629556,8.920209753756458,3.3650604445570176,0.424128916943528,0.0148300722652774,16.82062082837912,5.076224449996896,9.881390162473158,0.6787494090136639,2.7286167674046515,6.04962150185056,0.437813381680915,5.4477427184034335,0.2549473326369847,17.787233983089333,2.7286167674046515,6.04962150185056,0.437813381680915,5.4477427184034335,0.2431966161002567,17.787233983089333,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,2.5589845791268777,2.973732238985683,3.436144000586485,3.93695526434475,4.466135702193203,5.014134678457474,5.5725838976474185,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_25,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1629797252446076,0.6250917815391484,1.8040529028811108,3.973836481342733,6.19309584185609,7.659810779816438,8.423351817426205,8.77810715914541,8.910803318100063,3.1712661205982777,0.4848685360780872,0.0236170359229411,14.216965866178512,4.513769762826513,8.30461044666146,0.669076487793507,4.499916273991642,10.032419163529994,0.6677472384009911,7.990075011560857,0.4181649695653133,26.094544487749893,4.499916273991642,10.032419163529994,0.6677472384009911,7.990075011560857,0.3903876820207326,26.094544487749893,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,3.0333065588041954,3.4759455361272016,3.948751611690703,4.445309253062274,4.958510858583441,5.481457880439187,6.0080391120764665,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_26,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1926466458328869,0.6997327537645724,1.9492397597073747,4.081640439253285,6.251292832379503,7.707095736079133,8.473131065112561,8.830972069470047,8.965135269228995,3.300683994358695,0.5443871221075509,0.0328369253012253,14.316948041666231,4.928551501774347,8.333239445666141,0.9252214219436082,4.446552322820533,9.95105159264778,0.6533626186680055,7.457277633829586,0.3554449060607674,25.6164153906592,4.446552322820533,9.95105159264778,0.6533626186680055,7.457277633829586,0.3224155671947707,25.6164153906592,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,3.826719820433381,4.345628472560442,4.871778805680584,5.399653386421381,5.92376494933508,6.439108175899905,6.941439045518311,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_27,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1387820029781474,0.5841093812050359,1.7670119895544538,3.6686992107343466,5.417110964323538,6.521892262381462,7.087564073559431,7.348734555128887,7.446190496439014,2.997310933316537,0.4431754817407515,0.0177891816988142,14.541154891812026,3.9893092183358654,8.624701370048722,0.3126641377972483,2.352942432113446,5.138909309043764,0.4289370850003288,5.765618142862224,0.2482657943251273,18.279704758709645,2.352942432113446,5.138909309043764,0.4289370850003288,5.765618142862224,0.2479834797863195,18.279704758709645,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,2.074256554502504,2.4813813772368305,2.931836700389108,3.4165923921905543,3.926001702030918,4.450898381190102,4.983267168272225,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_28,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1510631139868632,0.6249452714103207,2.0075530977704066,4.476056764278931,6.911433404729229,8.501844313650137,9.327178609704328,9.710313418123778,9.85358752677584,3.5779644232647168,0.4720277189311352,0.0209962355023798,19.380615200824963,5.8494077132143305,11.439386544975983,0.7280663779806053,1.187838672895394,2.601139359047661,0.2250903124373796,2.988561172394431,0.109351293600246,9.817128506139598,1.187838672895394,2.601139359047661,0.2250903124373796,2.988561172394431,0.109351293600246,9.817128506139598,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.741067586927364,3.216962788374149,3.7264881463036894,4.2586412813159225,4.803009927713286,5.350561602720323,5.894012550915953,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_29,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1480957274849416,0.6128830479495467,1.9189469657095184,4.056988414735256,6.032000012279551,7.283340875396159,7.924903894166062,8.221284056843658,8.33190430400764,3.3006034985425154,0.4632216575092583,0.0203740485037901,17.580320848737756,4.967183395755739,10.367194090758971,0.4372834493010036,0.4698937771661129,1.034025691130444,0.0939787554332225,1.2217238206318934,0.0328925644016278,4.229043994495016,0.4698937771661129,1.034025691130444,0.0939787554332225,1.2217238206318934,0.0328925644016278,4.229043994495016,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.088976413227173,2.5383426792611528,3.025339417947998,3.539139649088064,4.0691336303776025,4.605883373708707,5.141617912572839,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_30,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416662442205777,0.5717721999897313,1.8086048093411056,4.1233355681903126,6.4542013965151375,7.982096777588313,8.77515023256722,9.143231265163555,9.280859243781672,3.271681555902361,0.4360856368568505,0.0190271110360297,17.952795941205835,4.728493935395271,10.828429764927735,0.3938814884883647,0.809762057995711,1.781923516246578,0.1619524115991422,2.1053813507888486,0.0566833440596997,7.287858521961399,0.809762057995711,1.781923516246578,0.1619524115991422,2.1053813507888486,0.0566833440596997,7.287858521961399,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.9811534918253018,3.4453452811372154,3.948610678503065,4.479521128680686,5.027018396390568,5.581377395410295,6.134667208302214,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_31,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1429484878068691,0.6283265403167886,2.0400986614357643,4.333860147664811,6.448368503661796,7.786008025767969,8.470919488350612,8.78709093609614,8.905058270753557,3.5233098308618644,0.4677848819109272,0.018971835700943,18.820869403760184,5.588491478633107,10.956380302433612,0.5832782290257639,0.7525731170463805,1.6540959104280295,0.1485783261013861,1.94119972585747,0.0567463425398155,6.637617241865128,0.7525731170463805,1.6540959104280295,0.1485783261013861,1.94119972585747,0.0567463425398155,6.637617241865128,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.997740507118745,3.4393995095804617,3.922790445471213,4.437009009899788,4.971229247014179,5.515708675322327,6.06231935704225,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_32,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1367119068539599,0.5596656695057673,1.7424787738741991,3.8974044830329353,6.06565930745117,7.494407924076039,8.238579435447715,8.58455976387059,8.714017885826545,3.106816355898544,0.426371235296062,0.017776288924654,16.942512599225235,4.302192466070007,10.244711630660706,0.2788115057414171,0.744499433442516,1.6381155372121918,0.1487100278275742,1.9341796560631097,0.0525136639489269,6.687204780717614,0.744499433442516,1.6381155372121918,0.1487100278275742,1.9341796560631097,0.0525136639489269,6.687204780717614,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,3.067370457958113,3.5507424268663774,4.071507766770695,4.618300516808811,5.18020149287466,5.747696223283893,6.313100986085593,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_33,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1330777581783973,0.607360900319359,1.986344133241719,4.331933637261989,6.620444596853901,8.11643930109533,8.894048411584382,9.255354841786644,9.39052024733494,3.485200710223055,0.4501815357392201,0.0165531888492031,17.86709177885994,5.395118712040463,10.667435013527124,0.8072329327357924,1.3364956964985468,2.917946227378427,0.2447307454019788,3.294341659714378,0.1409483259401322,10.448673695645786,1.3364956964985468,2.917946227378427,0.2447307454019788,3.294341659714378,0.1409483259401322,10.448673695645786,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.767005124231507,3.207815592872604,3.6928467359394617,4.212039776296436,4.754844252799644,5.311489695435069,5.873658499219746,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_34,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1911089559149589,0.6982919885681949,1.947083705096128,4.122387461649985,6.33629121721011,7.8101215558004835,8.581399753841724,8.940697962220657,9.075247038259686,3.323058574589509,0.5432934093850083,0.0324284948127714,14.66984248699199,5.006347740805933,8.625448050073416,1.0789187250109673,5.116448166095768,11.47189441324374,0.7211421306639542,8.256716419006137,0.446784254217536,27.526577108399223,5.116448166095768,11.47189441324374,0.7211421306639542,8.256716419006137,0.407351222331517,27.526577108399223,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,3.3478608512072787,3.7982431322669736,4.269324371541141,4.754432719460808,5.246271801093928,5.737911848954273,6.223333706038064,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_35,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2029099936352934,0.7302856139605529,2.014710690501443,4.217281011057595,6.456975927701334,7.952286026511103,8.736295905150676,9.101860382402418,9.238809207884326,3.4094728282563254,0.568955385212121,0.0361813539813902,14.856475733018849,5.263257086210427,8.609851354798645,1.023545439472601,5.540500454998918,12.431439302691995,0.7811506126480485,8.900108601014624,0.4744126689917772,29.86763736553748,5.540500454998918,12.431439302691995,0.7811506126480485,8.900108601014624,0.4310687176642471,29.86763736553748,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,3.274857849103416,3.714991834101873,4.170754397443124,4.636387981841667,5.10548125183039,5.571935879965943,6.030481786007402,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_36,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1489610383918933,0.6393067653545293,1.9972956852790384,4.137539980190329,6.086043029014647,7.316085549840033,7.946149491470249,8.237139469755487,8.345738386486065,3.386304710064818,0.4797948114162274,0.0201943309822599,16.360872970552037,5.05858673422229,9.556627756259054,0.6322047317930132,2.495554735047992,5.450257154345108,0.4505057131825142,5.614798654826992,0.200114968753984,19.26539844139937,2.495554735047992,5.450257154345108,0.4505057131825142,5.614798654826992,0.193420086951721,19.26539844139937,27.0,57.68546,3.0,14.0,0.8399999999999999,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1887,2.282272501228024,2.6789395971752645,3.118427607875982,3.5920769917510493,4.090338211824692,4.6039872115885885,5.124879145386858,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_37,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1389815550758572,0.5791572131533623,1.7836906192476023,3.945823536492043,6.112983980496137,7.53613841728213,8.275733333337293,8.619195317547726,8.747647643676691,3.153753407514122,0.4403271873946278,0.0179208302853117,17.293769423314206,4.41823108824565,10.434477060458118,0.2983327945292361,1.7413706823149344,3.799347914906347,0.3163714194979643,4.272342038298649,0.1888916533885927,13.43914595328283,1.7413706823149344,3.799347914906347,0.3163714194979643,4.272342038298649,0.1888916533885927,13.43914595328283,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.072283294273326,2.516361556170929,2.9998307759252496,3.5124456913973576,4.043992352357497,4.585251933555714,5.12851627569359,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_38,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.147977720922212,0.5997971913325829,1.8587831107467447,4.044909780539524,6.167250533297821,7.54537151855121,8.259389523192306,8.590694676315906,8.714568782317803,3.255387616253637,0.4565626079039133,0.0203690430797859,17.7528033316757,4.612459295726927,10.766053752766291,0.4491798866675821,0.6202625732886315,1.3649200461754447,0.1240525146577263,1.612682690550442,0.0434183801302041,5.582363159597684,0.6202625732886315,1.3649200461754447,0.1240525146577263,1.612682690550442,0.0434183801302041,5.582363159597684,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.2281033658688267,2.717099958609058,3.239129923434691,3.7822723307008266,4.335570772305088,4.88978001475332,5.437655571857113,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_39,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1475323266129599,0.5876321340161276,1.7753327188009735,3.981972197930068,6.24818420235095,7.754781389928505,8.542221622214477,8.908827053215354,9.046077722364382,3.165270959551332,0.4510580912266284,0.0202114993636542,17.5873541065958,4.367878851366003,10.63527560873427,0.2634211683024719,0.7559582666637001,1.6635254756233384,0.15119165333274,1.96549149332562,0.0529170786664589,6.803624399973301,0.7559582666637001,1.6635254756233384,0.15119165333274,1.96549149332562,0.0529170786664589,6.803624399973301,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.2252161025015544,2.6878907589766854,3.185054624914486,3.706456007288946,4.241993994439216,4.782663560538594,5.321054978753882,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_40,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1586917348969145,0.6312397682198476,1.96600115898248,4.274037252450256,6.511617906970791,7.965537480982991,8.71936843078376,9.069288643003738,9.200146815917403,3.4413743637119154,0.4802389687977005,0.0233396381876615,18.65530822168773,5.194517778823842,11.259186351765631,0.6857499642453427,0.6744671307599491,1.484196909804928,0.1348904110525143,1.753590419180063,0.047219030862095,6.069993119876253,0.6744671307599491,1.484196909804928,0.1348904110525143,1.753590419180063,0.047219030862095,6.069993119876253,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,3.395145243507101,3.971454689979312,4.563833341086901,5.159655601408333,5.748798390539974,6.323696867989046,6.87914402252608,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_41,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1538298079613098,0.6197484089954804,1.9777148850405872,4.439549710777662,6.870312176412706,8.453410237794689,9.273560837483911,9.653987667178331,9.796202022030132,3.5421930888509228,0.4705593701016098,0.0220329163406431,19.639583154512263,5.625921790533653,11.752007602709734,0.7394270824065433,1.1569230234514043,2.533835301572114,0.2196184312674629,2.9138704735911083,0.105693575829516,9.588675071465383,1.1569230234514043,2.533835301572114,0.2196184312674629,2.9138704735911083,0.105693575829516,9.588675071465383,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.680175801408568,3.1635789839257407,3.6799791824118966,4.217584608362807,4.7654240696167145,5.314152337569964,5.856384211134542,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_42,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1538999661580938,0.6163693584514547,1.868956935746028,3.9666867570022726,5.94064484368624,7.193072060162314,7.833725831370479,8.129194390026942,8.239385815986083,3.217174952384097,0.4698218771049152,0.0221051506396716,16.0864888692819,4.59368874809355,9.397661456975742,0.4108398487387028,5.126429391343566,11.203387301135214,0.7798629855759928,8.025935803421252,0.3146493097347304,30.75437193211727,5.126429391343566,11.203387301135214,0.7798629855759928,8.025935803421252,0.2677735300926404,30.75437193211727,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,2.212485291130261,2.640816732562928,3.110510984557965,3.610352545492388,4.129084558850195,4.656571585780475,5.184395739587665,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_43,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1998812160837139,0.6874066566315323,1.8498044144516823,3.9320742301109695,6.075924650832062,7.509414191343375,8.261133816414906,8.611654393747008,8.742969201594324,3.1624336944061247,0.5429749452265195,0.0352875658285123,13.495564733695405,4.39836839931866,7.996336653580287,0.8016308926167417,5.377606625415654,12.074638449240297,0.7457594767170924,8.431258527911037,0.4641760861311889,28.227554154359552,5.377606625415654,12.074638449240297,0.7457594767170924,8.431258527911037,0.4204897274625685,28.227554154359552,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,4.700003234529252,5.260748275199761,5.81258887884745,6.352116764798319,6.876002832509975,7.381369392342862,7.865973245114403,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_44,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1822589632760316,0.6455608144434987,1.8309632970753988,4.1407290768918426,6.531325202327748,8.106138810425637,8.923195200472787,9.302127147228624,9.443753173097658,3.278565448140304,0.5083266250043892,0.0295222970426379,15.644281703668687,4.861400363799845,8.964380890530347,0.5819083120587396,5.344340718474408,11.751248613690034,0.8033868863625228,8.372825207851497,0.3386547368872131,31.613742853028903,5.344340718474408,11.751248613690034,0.8033868863625228,8.372825207851497,0.2903844241174891,31.613742853028903,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,4.108467220426356,4.60984012002684,5.12477961751779,5.647233284892245,6.171043194180244,6.690634421440721,7.201405015620424,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_45,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414630167969003,0.5778617838039198,1.76361759591377,3.875909471245007,5.984940134569555,7.369778754018314,8.089923717661085,8.424500145551887,8.549655526314682,3.103723562943141,0.4404583936969987,0.0189099002198545,15.866026529354528,4.189318369767595,9.560540072339393,0.3889728126867531,1.9360443999487005,4.225679058269687,0.3532934764481219,4.762392211533675,0.2067454554338071,15.050321351625028,1.9360443999487005,4.225679058269687,0.3532934764481219,4.762392211533675,0.2067454554338071,15.050321351625028,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.87727832645595,3.3359853421055767,3.8368003486522944,4.367394038575884,4.915978584445147,5.472297234256861,6.028057313232823,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_46,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1355588128594298,0.6019673232356061,2.0569916397129204,4.732872927853159,7.358306006641095,9.051459688199737,9.92304056197416,10.32603002097959,10.47646984103263,3.757724031309992,0.4480115976173603,0.0170604686216154,21.696145872157643,6.339222695524723,12.95911272081654,0.8994999273713012,1.38679273231067,3.031720350391727,0.257814205385066,3.4493063753911977,0.1381186075235895,11.113030715401273,1.38679273231067,3.031720350391727,0.257814205385066,3.4493063753911977,0.1381186075235895,11.113030715401273,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.1757121120815723,2.607223198050894,3.080617891596848,3.5859436081477933,4.113045897160752,4.652598540925852,5.196680236147841,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_47,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1448883410688821,0.5993450022987802,1.897468477218788,4.171286693074004,6.378027536447156,7.806520500994001,8.545146353956502,8.887536680080009,9.015502853908716,3.349226410597778,0.45359679841061,0.0196141002025116,17.928034280909703,4.97968519912407,10.826509691746846,0.6358708241503563,0.706116508367393,1.5538460947208834,0.1412233016734786,1.8359029217552216,0.0494281555857174,6.3550485753065376,0.706116508367393,1.5538460947208834,0.1412233016734786,1.8359029217552216,0.0494281555857174,6.3550485753065376,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,3.4723274110808235,4.01981553806872,4.5951887676632674,5.185586164208068,5.779836433578742,6.368993837557394,6.94641194968058,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_48,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1530567693346634,0.6020038625266974,1.852019552974869,4.14100338025624,6.443024167447232,7.958237330807546,8.74710461363371,9.113816027437098,9.251025590631428,3.3009094936837884,0.4612643044311557,0.021880024919992,18.29134582351509,4.809845012626371,10.949233990544116,0.3685703081783267,0.7630000959192828,1.6790213870753696,0.1526000191838565,1.983800249390136,0.0534100067143497,6.867000863273544,0.7630000959192828,1.6790213870753696,0.1526000191838565,1.983800249390136,0.0534100067143497,6.867000863273544,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,3.7539305996495207,4.240570782432296,4.758964125713717,5.298074106320943,5.847361611638133,6.397705329032815,6.941814351310842,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_49,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1375881002006164,0.6215408750309795,2.046558891064341,4.397457085118217,6.590719939337223,7.986275412460276,8.702667108453657,9.03373430847114,9.15731487120385,3.56248748301938,0.4606162096107294,0.0175880000040873,19.11288451466269,5.695228259101407,11.19208563075158,0.6620906105017381,0.7246058140787047,1.594532773382522,0.1449211628157409,1.8839751166046328,0.0507224069855092,6.521452326708343,0.7246058140787047,1.594532773382522,0.1449211628157409,1.8839751166046328,0.0507224069855092,6.521452326708343,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.885054624957754,3.3566823538416304,3.868052396630497,4.408369839554653,4.966900511654805,5.534063420706032,6.10195593752488,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_50,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1009119560777074,0.4775904306456855,1.6047729116737055,3.657353826861236,5.7071459788840375,7.055989212463659,7.75883102639649,8.085735036260193,8.208082110978852,2.9070131624085342,0.354942128494795,0.0099672742234185,16.032602202289453,3.8361070497962606,9.913736411515323,0.234737869040168,0.7069866586508192,1.5542934991385762,0.1399625801473863,1.8266872998299104,0.05250204442939,6.262447317062951,0.7069866586508192,1.5542934991385762,0.1399625801473863,1.8266872998299104,0.05250204442939,6.262447317062951,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.1681695409148856,2.584515406324947,3.0537032188774003,3.5673156583023924,4.115811344581194,4.689787453177482,5.2806849647266665,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_51,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1324626010486538,0.5738429948594538,1.7949388774246695,3.735477538733925,5.50008853977269,6.607516245536851,7.1723978236273,7.432723449152549,7.529787171071278,3.053430270427926,0.4306855773762983,0.0167130829493776,15.18534285778606,4.193885785789127,9.071203929212292,0.396282792959171,2.97820289249904,6.545776031713054,0.4993436610240985,6.516726573881948,0.3159638237598708,20.51926741600158,2.97820289249904,6.545776031713054,0.4993436610240985,6.516726573881948,0.3091204396577227,20.51926741600158,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,2.590713514866513,2.9908283728137657,3.437951279152871,3.923598120073384,4.438094855453652,4.971935615740078,5.516616839614626,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_52,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1893843018730039,0.6542935462482675,1.775636849745553,3.791365758786614,5.8915539686002605,7.311366552015492,8.060344217941498,8.41054216191612,8.541885985398055,3.0442913323330654,0.5163341375881048,0.0324471118542852,13.494057399225534,4.014706399290953,8.071753126505593,0.6166605816342788,3.349088011779705,7.448628323219318,0.4998310643886425,6.075174160617008,0.327164058030048,19.51529681457829,3.349088011779705,7.448628323219318,0.4998310643886425,6.075174160617008,0.3080756225359705,19.51529681457829,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,4.4332802082386005,5.058968418437105,5.678336145750004,6.284265346897494,6.871396038827407,7.435849654063025,7.974996465458418,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_53,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1843517001450977,0.6544064118640457,1.8487518777036025,4.019204990553041,6.240370170130622,7.71854454536818,8.491799783398124,8.851952022273732,8.986810358766265,3.2182061260438948,0.5124915601605984,0.0308459100481406,14.038550081349804,4.601077157719584,8.278807025449835,0.8093648324848275,5.439350255448935,12.22824951749975,0.7575005909163541,8.49443891439256,0.4505684006334675,28.83320615528732,5.439350255448935,12.22824951749975,0.7575005909163541,8.49443891439256,0.4054946596076594,28.83320615528732,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,4.146811676960274,4.709934185608689,5.277621919555681,5.843410662814867,6.401462164780167,6.946815904171979,7.475520899816781,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_54,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1424859658431701,0.6028095917550983,1.8562039670936503,3.9051739300888815,5.81384123546733,7.0235549471669,7.642719709745372,7.928411625518335,8.034981492937792,3.177327303386332,0.4552459841252376,0.0188205732847673,16.0564138249871,4.536079046300004,9.372153875055751,0.3493315668567562,5.520014362657263,11.950915565319216,0.8011010263742602,7.372624112421866,0.2926233592405109,30.53988158570395,5.520014362657263,11.950915565319216,0.8011010263742602,7.372624112421866,0.22947479254798,30.53988158570395,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,3.2416698758697127,3.646953806765818,4.095391911835586,4.578165166812668,5.085593557977954,5.608363940288361,6.138285127438666,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_55,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1436094998252112,0.5849400661521219,1.8282135136182032,4.078598231434352,6.316649356670499,7.777910920235062,8.535171170845942,8.88639287522754,9.017678528143929,3.25596530004934,0.445206549236586,0.0193722689204945,17.79237842624057,4.612578069262223,11.049029561222293,0.5977935414516142,0.9211488433853552,2.021376840902867,0.1786966145583495,2.350721759852151,0.07610004268629,7.903018802157689,0.9211488433853552,2.021376840902867,0.1786966145583495,2.350721759852151,0.07610004268629,7.903018802157689,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,3.725172152837698,4.291976703041064,4.882833898898353,5.485077810609354,6.087878588302764,6.682733698064623,7.263481143103214,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_56,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1323123712031264,0.5889177968021371,1.9073346080757083,3.984452132052757,5.803835059556055,6.915862444393725,7.47575132894401,7.732286925088543,7.827709907765016,3.2632407453489214,0.4389585158118457,0.0163243962988037,18.22094188422943,4.956923139056174,10.706477775894353,0.3421087571809433,1.6977491486619476,3.734681480746735,0.3382750401047049,4.403949469499586,0.1215194986244738,15.190507064019608,1.6977491486619476,3.734681480746735,0.3382750401047049,4.403949469499586,0.1215194986244738,15.190507064019608,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.813052827245797,3.238123685492701,3.704060608143216,4.202704771489624,4.725069374679351,5.262474689972966,5.807250784453648,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_57,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1390495413960358,0.5985940640243445,1.9180369835551527,4.235326091540736,6.495641120684792,7.960982888914647,8.718604484371227,9.06971468816316,9.20092119380434,3.395786100004619,0.4501188754312173,0.0179153813798622,18.386572216872835,5.098680177355712,11.282028940356996,0.7342597942673801,0.6989643963017701,1.5381075002106526,0.139792879260354,1.817307430384602,0.0489275077411238,6.290679566715929,0.6989643963017701,1.5381075002106526,0.139792879260354,1.817307430384602,0.0489275077411238,6.290679566715929,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,3.4257569114512614,3.916524685430277,4.442064589161686,4.991452087124563,5.55412556095306,6.120896409439028,6.684389914799835,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_58,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1321534291717322,0.5865792363319053,1.8660869615311515,3.894775439042176,5.700956965021687,6.817761706142614,7.383504470335669,7.643463251385513,7.740276071719256,3.186417892305618,0.438672301517634,0.0161709585619403,17.67815220096056,4.759354607343805,10.445556452745564,0.3186192512566087,1.5446107300922414,3.382880234103072,0.2931647863027074,3.8899290205139008,0.1412132065095127,12.79848139072831,1.5446107300922414,3.382880234103072,0.2931647863027074,3.8899290205139008,0.1412132065095127,12.79848139072831,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.860641432065828,3.281540280270259,3.7430717547406505,4.237515354455849,4.756097932938857,5.290213859173556,5.8321903498106895,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_59,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422496893069642,0.623182046629523,2.020012029406064,4.395550541286608,6.67264665464787,8.141509131848178,8.90007008231503,9.251523650040504,9.382850309537172,3.5423631660298325,0.465430144214836,0.0186042039371584,19.17335705928961,5.627058459228109,11.492333014590647,0.7761382608783622,1.2165438554485428,2.663849001238117,0.2303839275713036,3.059615276018972,0.1123002412700483,10.044155652748536,1.2165438554485428,2.663849001238117,0.2303839275713036,3.059615276018972,0.1123002412700483,10.044155652748536,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,3.5046567657778054,3.992801243109207,4.515941577895072,5.0629520669980295,5.6231613869921,6.187312473465092,6.747981826677613,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_60,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1503005047142308,0.6052073812426412,1.8488142028069088,3.9365648451588666,5.889516874572784,7.122569493966589,7.751715869485386,8.041543352700277,8.149579315593844,3.191794738366962,0.4609506043428392,0.0211846729425755,16.02055017653597,4.532421912305486,9.345041232124752,0.3746559840377169,5.2310536424000285,11.407487755635424,0.7872546773392078,7.852172386425217,0.3019848208128218,30.836207091614945,5.2310536424000285,11.407487755635424,0.7872546773392078,7.852172386425217,0.2505670214941987,30.836207091614945,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,2.282824730564983,2.7132597833189944,3.1839430033468883,3.68458352769766,4.204625020734194,4.734378810441078,5.265658405513389,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_61,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.191742855410912,0.6718168990639932,1.8361085321610389,3.9303171342289023,6.085272410925884,7.523728181591927,8.277045072411058,8.628057245291165,8.759513882793424,3.156131506121312,0.5287849268367828,0.0326093441414264,13.498570111089084,4.418040014679607,7.988651399020144,0.7856077671216842,5.504779470968709,12.349382166872726,0.7679514356232907,8.744984989783482,0.481760216519546,29.13610910495836,5.504779470968709,12.349382166872726,0.7679514356232907,8.744984989783482,0.4382091270269727,29.13610910495836,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,3.8369908864058737,4.346862829763062,4.8640534157382085,5.382579030204487,5.896541706719831,6.400714544333454,6.890815510780527,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_62,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1926174112832484,0.6856363502396331,1.984484116556537,4.23530864059008,6.363830939136841,7.711147821368575,8.39920796835473,8.71629834004507,8.834516165648141,3.427323226099147,0.535242800842952,0.0328177312424851,15.099698654823332,5.382367848953302,8.518710179238521,0.7718881549706276,5.128077551877087,11.392508425913489,0.8043593618299962,9.719282354468184,0.4494704254434709,32.40811259507663,5.128077551877087,11.392508425913489,0.8043593618299962,9.719282354468184,0.4220243846162515,32.40811259507663,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,3.037925570295377,3.456223241729969,3.895912786685292,4.351357087867555,4.815831575773169,5.282633991325997,5.745744398968342,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_63,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1445454861672472,0.6054582823888389,1.8204588975707128,3.828839192708505,5.759621292507789,7.008449503701357,7.653702219312549,7.952647741710063,8.06434627069167,3.10776068876228,0.459347581611017,0.0191058090111336,15.521518058614925,4.2273269950317705,9.384716921096537,0.4942771932143365,4.810991714322558,10.433725556687715,0.7004289040051863,6.792488512463964,0.2996380310311899,26.69149820073348,4.810991714322558,10.433725556687715,0.7004289040051863,6.792488512463964,0.249278808151682,26.69149820073348,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,2.1745813840681816,2.5710975914825647,3.01186024045836,3.487897696878285,3.989402780970091,4.50696252954807,5.0323056841048,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_64,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1498175808288474,0.6071168341445704,1.8666602331830555,4.030421553420672,6.143222917077584,7.52369773076989,8.241318680144444,8.574803788072066,8.699572289567744,3.24839292622121,0.4618180532676766,0.0208847799808637,17.617752923037546,4.764392954623659,10.46668142912105,0.36018502484374,1.2660777432626042,2.7676134098979253,0.2351697703720981,3.1474359062393886,0.1265215764172701,10.131495209733846,1.2660777432626042,2.7676134098979253,0.2351697703720981,3.1474359062393886,0.1265215764172701,10.131495209733846,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.150362793125389,2.620438172959238,3.126771296935392,3.657916035349259,4.203005276770994,4.752589198365559,5.299027984247097,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_65,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1489506915269872,0.6318787118188438,1.9943991122736493,4.078125829766159,5.876868006068536,6.971243498987863,7.521520960797956,7.773549161144491,7.867282496985052,3.359889127329494,0.4738472103286194,0.0205180157111538,18.29493898208522,5.248839388605028,10.720157315460828,0.433395559865216,1.4092070337119296,3.089600168696416,0.2706626475491848,3.5745082141054083,0.1221198866655573,11.900350159883288,1.4092070337119296,3.089600168696416,0.2706626475491848,3.5745082141054083,0.1221198866655573,11.900350159883288,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.084148165711777,2.511279560306221,2.97748538340764,3.4734375103780795,3.9892625942803095,4.515697441660768,5.044783486806168,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_66,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1531915074781296,0.6261105420981831,1.9765392909277328,4.287911228891035,6.508928315340168,7.943161440039733,8.684149167227462,9.027513169641606,9.155824133638603,3.456821724272096,0.4736372459981272,0.0217638002458895,18.67607904882409,5.363425120297015,11.08777469869713,0.5833586776320462,0.7396912119042809,1.6277289757383893,0.1479382423808561,1.9231971509511303,0.0517783848332996,6.657220907138529,0.7396912119042809,1.6277289757383893,0.1479382423808561,1.9231971509511303,0.0517783848332996,6.657220907138529,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.3810447982493983,2.878456051279407,3.4070866458298426,3.955067288594583,4.511492624764951,5.067177030364469,5.614949554228727,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_67,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1246216077078351,0.5859473966534046,1.896755916225452,3.943933236260699,5.740037215251413,6.841197486019014,7.396736874662329,7.6515409333371025,7.746362276812323,3.233240107408932,0.4342729119321357,0.0140544187449437,17.84793901225627,4.89763082170277,10.572063681119577,0.370299210605066,1.2794414980548825,2.780065147275541,0.2212639496636503,3.049553095364085,0.1622720397532268,9.091268986181106,1.2794414980548825,2.780065147275541,0.2212639496636503,3.049553095364085,0.1622720397532268,9.091268986181106,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.2249716009112137,2.586131927436479,2.9924419914527385,3.4382906239568785,3.916250348768609,4.418346046654684,4.93695659693328,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_68,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438535975744926,0.6164415927226684,1.9930545847554808,4.373084019799268,6.680225941769593,8.177109446550602,8.952100798707695,9.311548038842872,9.445918748090149,3.514338172014518,0.4623533949938692,0.0191262425805044,19.13853929642669,5.526814471852857,11.464126963887452,0.7285239110072196,0.6962944656135336,1.5322321788947926,0.1392588931227067,1.8103656105951875,0.0487406125929473,6.266650190521802,0.6962944656135336,1.5322321788947926,0.1392588931227067,1.8103656105951875,0.0487406125929473,6.266650190521802,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.68181766922,3.1509228666981874,3.657466953282768,4.189805677162667,4.736833867331589,5.288934312254721,5.838395647211202,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_69,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1462684246503278,0.658079979390159,2.123860444640521,4.422474369095072,6.499405488787547,7.802395674604583,8.467520518651515,8.774203391765237,8.888580393559945,3.617565643123436,0.4875777893818355,0.0195859700186886,17.42882791968408,5.910132994982409,9.923276507611142,0.8340507047070232,3.3672764750772166,7.520322679592762,0.5049444516262311,5.982350815944463,0.2937927778631402,19.93421051059269,3.3672764750772166,7.520322679592762,0.5049444516262311,5.982350815944463,0.2724255587810011,19.93421051059269,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,1.7441664753276505,2.0895801691506795,2.483024718640727,2.91745624919641,3.383996690959755,3.873393669012704,4.377024966718863,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_70,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1839566541050702,0.6461113844156547,1.6920553674026249,3.512328758311261,5.387720105355704,6.649324099438185,7.313416254017492,7.62364162391283,7.739950698631708,2.841166237380212,0.5113097839463783,0.0297298798411093,12.260308167286189,3.4736914828884884,7.280104163430346,0.3123493288104416,4.131030452517205,9.166989951154315,0.6343447986653163,7.832338554210659,0.4068879318697579,25.122433931615195,4.131030452517205,9.166989951154315,0.6343447986653163,7.832338554210659,0.3862861775553217,25.122433931615195,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,3.683078888202928,4.185948147053693,4.700341810243753,5.22056512019157,5.740819945641976,6.255887044063288,6.761492270393774,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_71,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1865107368735613,0.6511741350286582,1.850793802567947,4.138553660203981,6.4497205588961615,7.953911366354485,8.730317574846099,9.0896212388089,9.223794880377964,3.292850312550758,0.5134924574032509,0.0309420649514188,15.154576966045534,4.919213575151683,8.588638891330376,0.6443552505789256,5.1173528008175735,11.34065954656092,0.787669267629236,8.59993822711056,0.333364127666861,31.61609747618037,5.1173528008175735,11.34065954656092,0.787669267629236,8.59993822711056,0.2926508385468291,31.61609747618037,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,3.6674491449101816,4.189209380886689,4.721725064702134,5.258389144334926,5.792780091445077,6.319160471331524,6.832748729040111,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_72,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430294182634071,0.5865684821534515,1.746699048671572,3.75247768919609,5.725923997480314,7.010703148964116,7.675779574025251,7.984105600599507,8.099335787471974,3.0237246590415032,0.4479903140532664,0.0189341438706957,15.034341888015218,4.023788177262087,8.873418231107717,0.2863175810914595,3.4436157922496045,7.650431419764486,0.5612726446918371,6.911647204246949,0.296452796011398,23.09315591271793,3.4436157922496045,7.650431419764486,0.5612726446918371,6.911647204246949,0.2811205498283378,23.09315591271793,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,2.0084674793319377,2.4279220174735148,2.8896560410948267,3.383925042755937,3.9006588366313273,4.430494930549675,4.965387638459832,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_73,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1482294375381808,0.5907229902656881,1.8420037607578768,4.195330844866676,6.5843431247754864,8.16069180103461,8.981925642840208,9.363756727246129,9.50663245312559,3.32730652988866,0.4524885223023849,0.0202974879033632,18.292805688434083,4.948273848253071,10.929740765484528,0.474379584422521,1.7830534130096312,3.889551141642479,0.3232200411389335,4.368813742121099,0.1949340859829588,13.710135814677187,1.7830534130096312,3.889551141642479,0.3232200411389335,4.368813742121099,0.1949340859829588,13.710135814677187,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.61896887118616,3.080772010876351,3.577943053711448,4.0999385412777976,4.636539286614632,5.1787042936691,5.719008847393007,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_74,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.145446865625382,0.5927664587125847,1.8001722425620117,3.740065842859881,5.476614585136887,6.548394194431684,7.090093758025643,7.338678360555979,7.431200117094311,3.0601055851040617,0.4513426100634425,0.0196805541378051,16.480674486034598,4.297509722831684,9.797142751674196,0.2557426731389139,1.581888920919903,3.4704435689916497,0.3060280836516124,4.030113590132802,0.1324665955823663,13.512521251013352,1.581888920919903,3.4704435689916497,0.3060280836516124,4.030113590132802,0.1324665955823663,13.512521251013352,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.068601483839577,2.5088911413924464,2.9878268912675665,3.495109642908954,4.020410313183088,4.554377554474891,5.089191383443798,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_75,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.139373394661221,0.5669159274508673,1.7389336603236578,3.8855460203264136,6.075424404059076,7.53269089158444,8.29576468100455,8.651427753269365,8.78465136406265,3.094359798901966,0.4328893961082137,0.018386830159549,16.54175961479106,4.144253927657558,10.104383857118115,0.3352057923503622,0.762670414942018,1.6782959069414878,0.1525340829884036,1.982943078849248,0.0533869290459412,6.864033734478163,0.762670414942018,1.6782959069414878,0.1525340829884036,1.982943078849248,0.0533869290459412,6.864033734478163,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.9070314158704584,3.3838857865767737,3.899766930319979,4.442219516575517,4.999652364776049,5.562175160816507,6.121929848162736,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_76,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.133874836874026,0.571446802954209,1.793670343148355,3.757626693386304,5.495636768677547,6.560795940287684,7.097506282767574,7.343491591774242,7.435000257302011,3.0719508834374647,0.431258357202418,0.0167592908137372,16.964296705159512,4.369174522806735,10.062260194649298,0.2412942213895988,2.1377523466899766,4.677851178735746,0.4017535831891679,5.351781012203319,0.2038161251808357,17.433989089791872,2.1377523466899766,4.677851178735746,0.4017535831891679,5.351781012203319,0.2038161251808357,17.433989089791872,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,2.9087479360900232,3.3369593186383306,3.807162973986608,4.309500248879234,4.833911300531325,5.371142793381779,5.913315872431294,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_77,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1349543401981753,0.5632040908617227,1.787254958788849,4.016221595096759,6.242320798766609,7.702304839634178,8.461161276779077,8.81366363136224,8.945516784319306,3.200472909638837,0.4269815701031374,0.0172815441457989,17.269839999729392,4.511716124592691,10.493192835487044,0.4730872082509975,1.06198528099895,2.326012445722134,0.2016991521454002,2.675578498162152,0.096804568184145,8.809014245183267,1.06198528099895,2.326012445722134,0.2016991521454002,2.675578498162152,0.096804568184145,8.809014245183267,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1887,3.019431477562832,3.515939942376373,4.05073907890076,4.61112510508332,5.185431616785197,5.763841308015052,6.33865856750836,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_78,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1329042911851681,0.5749697315964305,1.8062707072702693,3.811426638463774,5.655722963449313,6.817732188673581,7.411351203934465,7.68509130408227,7.787182358113044,3.1026099392181545,0.4322227573159286,0.0166800296626983,15.447524268897936,4.252282961900021,9.337176993644546,0.4859065988416589,3.2887266195314693,7.255309846157496,0.5356815830656646,6.853189863152355,0.3368333864388391,21.775067137843617,3.2887266195314693,7.255309846157496,0.5356815830656646,6.853189863152355,0.3260185451252726,21.775067137843617,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,2.6386264880757206,3.021959823480509,3.451925415802183,3.921402115482177,4.421534761669769,4.943222929850816,5.478081415355641,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_79,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1983064122414009,0.6808729738735534,1.9230532036513703,4.115069949742225,6.286699963577027,7.709637271094952,8.449384293972965,8.793075731096144,8.921645389773596,3.316679961458905,0.5349602100711454,0.0354399690746867,14.780904726640884,5.0405764220268034,8.533324205597784,0.8064050189590526,4.879638543175778,10.817607306942516,0.7471343941932732,9.27654915477451,0.4939241387576388,29.481379419597697,4.879638543175778,10.817607306942516,0.7471343941932732,9.27654915477451,0.470221670628427,29.481379419597697,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM1887,4.038383280221154,4.525036706461195,5.017394717312656,5.51106320399314,6.001118502255947,6.482861126210945,6.952240527545312,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_80,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1162132870042388,0.447018286883028,1.205345438989325,2.769613729431541,4.563317750568183,5.820248124889246,6.491801725939794,6.80731768108639,6.925872820482882,2.164158229370436,0.3524360449471543,0.0133706165640089,6.379042341366435,2.372971505190748,3.794233593080746,0.6949467410465359,4.722879022973728,10.064417765399869,0.5149467659784037,3.6436534598884327,0.3245616255254079,18.316931361699137,2.631528828432352,5.462292912101453,0.0966767270701286,-3.017104032016209,-0.0175524058680185,-3.63796752853436,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1887,12.530538616272873,12.917342143950169,13.232450314494583,13.49393426231936,13.71565606436396,13.908242054319402,14.079793609136738,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_81,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1030664134259599,0.4225485860645723,1.176228504272863,2.782605254009872,4.653598477680727,5.971474032244244,6.676818432813676,7.008424915112768,7.133056716527361,2.156178808044165,0.3301553516848374,0.0105266899651992,6.499015074706723,2.3546839778203914,3.8737518750370254,0.6486175366973375,6.223230271684326,13.49278274948398,0.6381193256250023,4.043094050970701,0.3880272348319723,21.80638008274428,3.961531086826204,8.515796084846071,0.185779488653378,-3.311613209388,-0.0296016224564483,-2.2063167888923227,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1887,15.529226046616053,16.158667585693795,16.672064594388104,17.098508966065687,17.460055949551663,17.77329143554387,18.05057856201388,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_82,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0987627394950637,0.4165758899908819,1.0568573579502725,2.239864929173041,3.56934330566127,4.4967427944861065,4.991423175211088,5.223681820564989,5.310929244133847,1.7874251190108843,0.3258602021258389,0.0095447487809176,4.34161735676609,1.6688075215353626,2.575773692726853,0.5035864719917955,5.778873019666634,12.449270946916895,0.6809343805437295,5.516736439141304,0.3863923880809116,25.304754422822626,2.267358149280891,4.721999875859809,-0.0213685935334191,-4.868763068474539,-0.0688854364541967,-9.538746263982889,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1887,14.282499362866256,14.938296397596169,15.481948968328757,15.940158040310829,16.333722685847743,16.678524516898865,16.986485201191577,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_83,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1039714431110365,0.4338814189842045,1.2341177140546338,2.905159382710792,4.840061304610243,6.205015641303815,6.936787793182616,7.281135269230059,7.410608479056906,2.2562975504578526,0.3366440849043124,0.010690102707117,7.194398340686559,2.5854361905526027,4.2118733772953885,0.644875516336483,6.038866332121822,12.88622519116363,0.6806279941511361,5.082744682424672,0.4114079243969235,24.60345473491312,2.997966157025896,6.19456622905594,0.0724479591319507,-4.329747679390909,-0.0424393929103789,-6.529631856119037,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1887,14.797026191829366,15.375380062065352,15.84452759068986,16.232819130008302,16.56143368048133,16.84613358441104,17.098573597569736,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_84,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1298258744889059,0.4579301136675375,1.0775362415699798,2.2019426553547534,3.467068634637084,4.354537279511144,4.829607904214993,5.053047108196996,5.137043810497619,1.7726715046241988,0.3680738891385939,0.0168008318394614,4.113403155727855,1.607934596820776,2.4399525203039167,0.4794979014003914,6.377316134615385,13.711299807649144,0.7432998567582697,5.6593677716097375,0.3849288768005439,26.69376201757251,2.8142239410215666,5.870530154851879,0.0306814180395059,-5.100015169766227,-0.1108461018972233,-8.170830733989412,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1887,9.402717832845136,9.695264387794571,9.93267550336042,10.128523193154576,10.293283787492642,10.435106194642204,10.560346952814118,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_85,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1045528689409308,0.4412198784914746,1.3250983999545023,3.141895929502393,5.207483826297954,6.658423593798185,7.435723717608878,7.801456615085002,7.938969529503559,2.442865902185264,0.3394019731562437,0.01087525669791,8.473334004650793,3.0807871489206446,4.944526815644386,0.7035496633611225,6.346419289665672,13.58726192876624,0.7683258122784139,6.210629637776704,0.3986896834547244,28.2514242435478,2.358688314008756,4.812052554822462,-0.0292203828529692,-5.6356817577821685,-0.1169652222574018,-10.512893937337124,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1887,15.156900467836016,15.734001297200676,16.201192923685788,16.5870717097493,16.912966371615354,17.194739663204547,17.444122967709927,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_86,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0954527975408508,0.4078413686072017,1.0904552557540632,2.445939555866002,3.991212770762304,5.071578558312644,5.648201171656067,5.9189979770489405,6.020732256842238,1.922896500862308,0.3177234070560288,0.0089921335317097,5.621095994801353,1.9516042995639489,3.460078054458545,0.5598114624312108,7.042857417365891,15.0525740911924,0.8115017071093424,5.796085109823786,0.3948351193256656,28.227963335765768,3.4800673841647263,7.212469358051516,0.0989437004691097,-5.288059791656143,-0.1459027134235202,-6.377273553882918,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1887,14.110485198028282,14.872393389264476,15.50631528821416,16.041397745662596,16.500714556340256,16.902070446115836,17.258946266085186,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_87,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0916934644426738,0.4199500541071817,1.1127633177533067,2.397079665193954,3.854032449050612,4.8797910147803165,5.429730240165586,5.688549471918398,5.785871920974015,1.9050269318870023,0.3239583566095194,0.007935283395885,4.960100311849073,1.773511477932352,3.117898571712941,0.5750479248256162,7.053193390887355,15.088997230352527,0.8272548204087965,5.947407815761334,0.3694321274388434,28.63959094742352,3.324071150561973,6.88286982616003,0.0814303723437203,-5.56568039458969,-0.1823856910647382,-6.831146321363119,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1887,13.179227094479096,14.021298343423126,14.741028299158105,15.362016813900564,15.90440213646957,16.384490374794915,16.815047173782084,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_88,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1034965924668227,0.4189843920031065,1.2189164279617943,2.9108754134871484,4.812441103367995,6.126896281073948,6.824753559448183,7.151730080680055,7.27445434651031,2.2596736842297807,0.3266503706353647,0.0107693534962864,7.080843413169277,2.8028202665407886,3.942195686802484,0.6687406232366734,8.681363317520933,19.436365651375784,0.829431965929914,4.527772879195543,0.4371344359541332,26.77958311366185,6.084509294659219,13.721853337659391,0.3100611613575711,-3.824046398622296,-0.0923084604732419,-0.1107354949598026,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1887,14.004054043510036,14.57778664663521,15.044899602052764,15.432538086310933,15.761184244605309,16.04619508305633,16.298991337094513,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_89,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0991382375311418,0.4083809674983805,1.0085590430663376,2.133072293096366,3.439079274135902,4.368723485469126,4.869446222637284,5.105562148031718,5.194417398218333,1.6981297369640889,0.3213062155281773,0.0097278967756808,3.608601624365532,1.4114725111072948,2.233594657705425,0.4862700216291701,6.420310368909442,13.677585258422166,0.6882574570528659,4.484629739720498,0.400495618115358,23.54148012876892,3.915230084034826,8.16502582738076,0.1872414000779425,-3.7795767152151214,-0.0550196361077236,-2.529507557629516,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1887,14.570698774731923,15.250690211977616,15.8118559557988,16.282473201990356,16.684497124117883,17.03468731993383,17.345654559033825,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_90,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0990849575293537,0.4221995110498277,1.0818695126782871,2.362076527470049,3.8495821380887865,4.90379005313922,5.470074018788882,5.736760366397202,5.837064884587798,1.865590723288752,0.3300151807003252,0.0094709362865289,5.075033948674496,1.783282531050124,3.146152599750996,0.5523353037734178,7.314664900841573,15.617944460472298,0.8168168542701678,5.294310982346345,0.3742810194808997,27.24499533164151,4.178783859702584,8.717275163631813,0.1896406460423699,-4.871894725240103,-0.1672970534988413,-3.090015324140605,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1887,14.369054665142846,15.11424174952166,15.734500207699533,16.25792986898511,16.70692124633072,17.098879567372524,17.44708352961666,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_91,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1070440411047225,0.4386755533324707,1.1184062371701344,2.421718247982803,3.9335250221235816,5.00881333669723,5.58783890682827,5.86085209134218,5.963588498474964,1.917625490078152,0.3443232922360363,0.0110634002096484,5.093173980928018,1.839016645059138,3.2203350247154185,0.6118385776334824,6.841326708455132,14.620262872320442,0.7868948914662341,5.62692288528865,0.3878059929437942,27.415842506911275,3.389767767261235,7.024927941158328,0.0965831032274547,-5.114086351202864,-0.1365160912417587,-6.212370634262734,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1887,15.235303967521858,15.871550495309586,16.395536294499387,16.8337692363497,17.206852733934447,17.530638943876642,17.817197324761846,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_92,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1010565901922061,0.4358176025546101,1.2527223431682208,2.8821451646176595,4.719905940571212,6.0048460634406,6.691646467981323,7.014470046165508,7.135798763250334,2.2572438852110794,0.3360731434974234,0.0099745669952529,7.031707760201969,2.5941096894277504,4.150983373575247,0.7130744570620233,4.965453656548798,10.591997435148077,0.5521768014018252,3.9353184614779138,0.3217787702322204,19.528140850728377,2.648115391195915,5.492574080649256,0.0887091483312487,-3.371521214949201,-0.0455181194331515,-4.14688977009113,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1887,14.59253071122595,15.31082530776404,15.90432369669952,16.40208858302904,16.826905236612742,17.196300310263684,17.523552368256667,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_93,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.103008037074979,0.4250640033395941,1.1811685183286589,2.7467325440116848,4.543065961492703,5.801466356041672,6.473590673827871,6.789318157345494,6.907943211700777,2.140486896273381,0.3315738116513483,0.0104849703096632,6.147777911016339,2.310227748862135,3.639183622407802,0.673675405387624,5.582959390168386,12.005208324970797,0.579200128477105,3.7319877547556737,0.3622810492983097,19.937186500320447,3.52290464877507,7.47195074368825,0.1671891801984418,-3.0306171659181005,-0.0186094607678986,-2.110159116407265,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1887,15.17565611309409,15.827438061851684,16.359149363940226,16.80068878499973,17.174771021022675,17.498503402029947,17.784656262710744,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_94,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0864414920179993,0.3994189904947866,1.2185054355184877,2.885146887719062,4.731774658226288,6.007597814095282,6.686014189048879,7.004222160157314,7.123715918516608,2.249018128418626,0.3044767080398241,0.0074095118462552,6.914297313042792,2.716241838674469,3.894640025616416,0.6547044112387395,8.057944099892946,17.940869836618887,0.7596539840206306,4.091206584117637,0.4385993215752922,24.63721635299561,5.823869569075748,13.024672659680036,0.3128390778571903,-3.2914327893141864,-0.0467101621216009,0.5316766016235496,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1887,13.34036081445059,14.176824487888888,14.881568196509608,15.48358787629062,16.005996989107015,16.466597297969443,16.878790570079104,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_95,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0979651967966704,0.4031942064639979,0.9786860070392536,2.0797198466019737,3.3900007072765312,4.332684541990258,4.842786251452623,5.083811186909625,5.174589275136285,1.6494065325838958,0.3178547987493798,0.0095183602221977,3.5239304429711424,1.3286270526279025,2.157609605955824,0.4399017045866399,6.238316805186332,13.301931116374352,0.6893178814206194,4.943107006357962,0.4195038032595204,24.54868310376407,3.3508749616820936,6.947965192767413,0.1118295127197718,-4.166536575033841,-0.0389842919107011,-5.32114564439468,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1887,14.790363926488238,15.4456419551916,15.98724917907283,16.44235197365255,16.83206694749017,17.172500532229446,17.475742987447898,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_96,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3222211325422619,1.311190125531387,3.126869585447463,5.329767813168422,7.174169618044943,8.318166588128154,8.902540784592704,9.17236566418097,9.273072318517478,4.592005963275135,1.0242541708944823,0.0390757195791125,17.543913390874216,11.172297426820876,8.454492078213567,2.84989989292574,3.244466289557944,7.101557508121464,0.6116809360591017,8.137913778030757,0.3052585161592792,28.45595016897175,-2.872343071033072,-6.358799563945819,-0.6116809360591017,-7.765790559505885,-0.1229181390820915,-28.45595016897175,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,10.259308345750656,10.850422241969842,11.455530664549428,12.065231740942998,12.670086899170512,13.261987082294535,13.834661850727674,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_97,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3126589889142717,1.2720781067036755,3.0719475211047613,5.329418373231012,7.220567622908779,8.382035302552774,8.971435297375656,9.242703888766084,9.343810001975566,4.569953078673825,0.9935151969031812,0.0379075982514724,18.99944850426629,11.204945349646309,9.686593714846325,2.8015297531327734,3.065580766385044,6.74557999156366,0.6127349347443324,7.967460244339701,0.2153912125655732,27.582602526811858,-3.061768581058279,-6.73797086965144,-0.6127349347443324,-7.963648059012938,-0.2135232417554589,-27.582602526811858,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,9.85180222930052,10.490849831565642,11.13013755550334,11.76320486150996,12.383043016396602,12.983510134741945,13.5599045844236,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_98,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2977148363311501,1.260838159054554,3.181766206000408,5.571643162337975,7.492275029293533,8.638925608814294,9.212811236249626,9.475319424192522,9.572912616759824,4.778973946829014,0.9751261279117728,0.0340794016398633,20.521914203165068,11.886724643000791,10.320765494673235,2.915790866483747,3.027606863563658,6.662406338828734,0.6055213727127315,7.871777845265511,0.2119324804494558,27.248461772072925,-3.027606863563658,-6.662406338828734,-0.6055213727127315,-7.871777845265511,-0.2119324804494558,-27.248461772072925,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,9.25399191311325,9.836871317326228,10.43137107945665,11.029255638306402,11.62204596056312,12.202320678742094,12.76424934744939,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_99,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3215137570991034,1.278580151695624,3.0697233029061883,5.365113436280343,7.342960660216393,8.580185861218366,9.213628917376438,9.506310883016823,9.615573205513671,4.585031181930794,1.0020978979272717,0.0404913973582442,19.551188856999303,11.231771336074628,10.13780854915301,2.766902117491839,3.037568958769231,6.684328447357549,0.6075137917538462,7.897679292800001,0.2126298271138459,27.33812062892308,-3.037568958769231,-6.684328447357549,-0.6075137917538462,-7.897679292800001,-0.2126298271138459,-27.33812062892308,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,8.83854398310547,9.480354594786464,10.124585770018868,10.76351265204535,11.389447804308933,11.995879946766417,12.577906034048038,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_100,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3051262818386527,1.2658665609313562,3.150932331728109,5.547006136253034,7.535414180494766,8.746272158520021,9.357915096176312,9.638814849516,9.743415427334128,4.742733348951456,0.9833970593218664,0.0360026138551691,20.508510072036177,11.8251116393154,10.40663490537774,2.8757815967678946,3.0132507775431647,6.630815025024167,0.602650155508633,7.83445202161223,0.2109275544280213,27.119256997888485,-3.0132507775431647,-6.630815025024167,-0.602650155508633,-7.83445202161223,-0.2109275544280213,-27.119256997888485,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,9.120366028847195,9.71846653697872,10.325012142918853,10.93230354980416,11.532286733960431,12.11789036084116,12.683580613720396,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_101,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3208289454865788,1.289904415004202,3.158454352252168,5.586820744904111,7.665776900627157,8.956401497582013,9.614529042155237,9.918068538176884,10.031300168040657,4.762062562765848,1.0078119977326077,0.0397887617614911,20.663540379825147,11.978308946990126,10.509287601560445,2.9207658666751053,3.0437602022564207,6.697952600595771,0.6087520404512842,7.913776525866694,0.2130632141579492,27.39384182030779,-3.0437602022564207,-6.697952600595771,-0.6087520404512842,-7.913776525866694,-0.2130632141579492,-27.39384182030779,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,9.544853087198412,10.147015757722434,10.758132836669954,11.37031451392448,11.975308166041906,12.56586700597054,13.13631590159958,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_102,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3301341295224063,1.311369888491103,3.0951442063141394,5.268339497057988,7.093712596157639,8.223954884410757,8.800094305948045,9.06579357189818,9.164905505241949,4.538937550229579,1.02833387700913,0.041728829636766,17.110565536875516,10.96824079097663,8.256957385697552,2.7696167253608928,3.219196046833407,7.0442410228421455,0.6049568944450943,8.058851202394163,0.3069965846136714,28.19511812306892,-2.830372897617535,-6.268150017007265,-0.6049568944450943,-7.670028053178289,-0.116473241497894,-28.19511812306892,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,8.17899476261903,8.78443364627012,9.405284150026397,10.029886265109925,10.64756243125853,11.249655224421224,11.829780497754111,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_103,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3202837106369046,1.2969171958212464,3.019161994147708,5.089081973160078,6.87994011331902,8.018544057852704,8.606914289702832,8.879921383904156,8.982017232350083,4.389427967536346,1.0157496861574409,0.0391383636379127,16.581918363837207,10.41870090200141,8.184284646696218,2.6361507656511614,3.2962847444171066,7.215507366058423,0.6219670462296905,8.272021114254631,0.3090487276820322,28.92076464667934,-2.923385717879797,-6.471200909089954,-0.6219670462296905,-7.899122087717321,-0.1263282046787506,-28.92076464667934,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,10.174724198385874,10.779560793770209,11.3940579125278,12.008400381875934,12.613375887552992,13.20145169933564,13.767073098411794,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_104,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.309149342919139,1.270461476722793,3.169272318439187,5.619536613388774,7.694542723161578,8.977362961833743,9.630574631595696,9.93168238444152,10.043983068706526,4.791426576962281,0.9877211323829842,0.0371954863403217,20.780346614464133,11.985333251008866,10.490950788224248,2.913507229158624,3.05369646118846,6.71980636473687,0.610728057613422,7.939520922095833,0.2137823449941587,27.483043458210737,-3.0535841149457608,-6.719582121636442,-0.610728057613422,-7.939408575853134,-0.2137272953352362,-27.483043458210737,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,7.42499841578114,8.005709815219213,8.601769206610104,9.202964337481683,9.799509685974945,10.38319061777664,10.947746105235172,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_105,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3041507502945334,1.2583286777694402,3.094851410960227,5.420413669126203,7.354331355878372,8.530624891494353,9.123929927177892,9.396174509574752,9.497512648151528,4.63880671735987,0.97909836033606,0.0360219189079897,19.68722173636762,11.447650261638266,10.034992491246738,2.812657505413484,3.0560238018411123,6.724939289189065,0.6112047603682225,7.945661884786893,0.2139216661288776,27.504214216570013,-3.0560238018411123,-6.724939289189065,-0.6112047603682225,-7.945661884786893,-0.2139216661288776,-27.504214216570013,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,9.207540518889571,9.831847296401664,10.459636025249784,11.083389585448044,11.695499784512752,12.289473283576546,12.86038898178408,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_106,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3243217686950385,1.2828562240690855,3.0912537833529377,5.398891738103857,7.364527122796415,8.583748368584336,9.20520647102203,9.491762555459092,9.598646103875195,4.617648400843016,1.0054529595756156,0.0413513915147075,19.51887421257561,11.338637004092403,9.97935746846288,2.786191006918277,3.0481441960287734,6.707599806859509,0.6096288392057547,7.92517490967481,0.2133700937220139,27.433297764258963,-3.0481441960287734,-6.707599806859509,-0.6096288392057547,-7.92517490967481,-0.2133700937220139,-27.433297764258963,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,8.27053382495906,8.897500552639858,9.532139461629733,10.164944336478923,10.78698136656512,11.390892822276552,11.97121585958248,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_107,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.292739584689524,1.2545302615928609,3.143938398212448,5.496847318777054,7.408709246539578,8.558086520035921,9.1350273694677,9.399240720160774,9.497512172064544,4.713512119160091,0.9703210690122142,0.0323418854910441,20.07894909602443,11.605354193237105,10.135575108350272,2.857452801219366,3.036535063474353,6.682053306998616,0.6073070126948706,7.894991165033318,0.2125574544432045,27.328815571269185,-3.036535063474353,-6.682053306998616,-0.6073070126948706,-7.894991165033318,-0.2125574544432045,-27.328815571269185,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,8.429861591227635,9.017728933908565,9.613324276402436,10.21010037058592,10.800807886277829,11.37885577560755,11.938928532048632,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_108,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2504745206925562,1.2059682787101689,3.059478284664737,5.34667986483509,7.237707339233409,8.391829881500826,8.975862191519495,9.244331032975705,9.34434321786106,4.581689270748803,0.9205312369007704,0.0217564563851092,19.065729948307265,11.14942770606873,9.68023080888919,2.7469189845020616,3.09236484797088,6.804764760025261,0.6183313030186798,8.039015272120318,0.216763039166503,27.828450300227995,-3.0909481822159184,-6.801937095178359,-0.6183313030186798,-8.037598606365357,-0.2160688729465724,-27.828450300227995,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,9.20382185849112,9.784892170570595,10.364554617801858,10.941571389374456,11.51220238832147,12.07200212290289,12.616820570980826,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_109,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2990643047633807,1.279555872344613,3.0753378641410936,5.252621388934127,7.08959993075594,8.232560452193228,8.816737493351166,9.086475006537809,9.187144982348483,4.52131361130577,0.9935452413641468,0.0328256824157373,17.275355508350756,10.926403682358515,8.442776687170305,2.7520028909386265,3.2685121435186613,7.15527815371324,0.6172786531053147,8.206741368361179,0.3052857788029831,28.688133779699594,-2.904274387534485,-6.428259592768824,-0.6172786531053147,-7.842503612377001,-0.1268092783707366,-28.688133779699594,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,9.39941849371449,9.97875956858276,10.568968464698257,11.162917691308362,11.752572678066686,12.33063613531314,12.891254153040572,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_110,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3134552494793777,1.2813552619444486,3.023815440022746,5.109140090324012,6.867439120190619,7.968467341038037,8.534054125868453,8.795903759921057,8.893744714280697,4.410410681526229,1.0011727348488824,0.0377011331899222,16.344753206949655,10.4887271473917,7.955857080318016,2.6784006459502447,3.2839069631360567,7.189920388328755,0.6211057236391564,8.252752752249307,0.3047923922944393,28.84164928846341,-2.927150273255507,-6.477834035327176,-0.6211057236391564,-7.895996062368757,-0.1299816142529697,-28.84164928846341,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,8.265291237744975,8.863421490988031,9.472914540429263,10.083184220233072,10.684570940302418,11.269308094613097,11.83173702617103,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_111,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.323041640544643,1.2642340142270327,3.073724196509249,5.442874433955618,7.486477704297334,8.760257872394511,9.410792876387006,9.7109999441065,9.823011849782166,4.6358907154388,0.9915409589193374,0.0419840124541582,19.61825246871749,11.38293128326334,9.987946114981373,2.780605562525672,3.0513904110500736,6.7146460793460925,0.6101830526126817,7.932854831951527,0.2137968909279043,27.460613107504,-3.050440115076744,-6.712749288583324,-0.6101830526126817,-7.9319045359781954,-0.2133312459009724,-27.460613107504,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,8.987311080022199,9.602490992955852,10.227299741233503,10.850793613468287,11.463203839995089,12.05679711976844,12.62603297341498,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_112,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3187875196335144,1.2634053734843411,3.085918585781082,5.363122442929425,7.207054288732801,8.310146607317964,8.862329059334277,9.11488778568621,9.208775982148351,4.605095581726901,0.9881572707538552,0.0407678849918258,19.061967494064607,11.2570754819855,9.570001693859474,2.7690752954832583,3.0675756347926173,6.750359698294164,0.6135151269585234,7.975696650460806,0.214730294435483,27.60818071313356,-3.0675756347926173,-6.750359698294164,-0.6135151269585234,-7.975696650460806,-0.214730294435483,-27.60818071313356,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,7.43517411632399,8.058092149237403,8.690881821521378,9.32236732879183,9.942676804429473,10.544013682846783,11.12078778820048,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_113,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3103175936130062,1.2518909907494051,3.019783952066612,5.270208066091096,7.215605809969839,8.439968956014216,9.069156074615911,9.360386411018366,9.469188163500862,4.505726266376132,0.9786965019637964,0.0381869136783321,18.754452148517213,10.870233440102275,9.643209046766994,2.6701392714496244,3.0940717775678483,6.8086658382704845,0.6188143555135697,8.044586621676407,0.2165850244297491,27.84664599811064,-3.0940717775678483,-6.8086658382704845,-0.6188143555135697,-8.044586621676407,-0.2165850244297491,-27.84664599811064,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,8.881245186660268,9.499098759508804,10.12429799157664,10.74704219175719,11.358355884841613,11.951000307002888,12.519709808575524,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_114,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3041155600685022,1.2543180590912562,3.124234478126747,5.443951352426711,7.313663434516538,8.434144995235783,8.996235938422085,9.253639014257596,9.349380347621098,4.674225012504245,0.974230249147613,0.0365011545664315,19.603246036573506,11.460083702386765,9.821415583816153,2.808862511979474,3.055993823952808,6.724873321286999,0.6111987647905616,7.945583942277301,0.2139195676766963,27.50394441557528,-3.055993823952808,-6.724873321286999,-0.6111987647905616,-7.945583942277301,-0.2139195676766963,-27.50394441557528,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,8.12854973548047,8.728078433072929,9.34021640029564,9.95403070099509,10.559666817885162,11.14919549865864,11.716802077920558,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_115,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3047256864952209,1.2597373785547314,3.06244572203631,5.323187766361187,7.226016636913861,8.400422470389039,8.99800936073562,9.27339111075963,9.376084014005588,4.561896550562033,0.9812999969632816,0.0359607824163975,18.790725223825444,11.155700895011195,9.458055015794276,2.752468214837071,3.078644783086816,6.773803123198712,0.6148345028720604,7.997320806063298,0.2173834876812122,27.689913972875285,-3.0697002456337894,-6.755949826442472,-0.6148345028720604,-7.988376268610273,-0.2130006643292296,-27.689913972875285,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,9.678627672566597,10.283848903184248,10.895872976992743,11.506827101073204,12.108607337571716,12.69423139816852,13.258353790207895,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_116,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3054503360169237,1.2930227955574876,3.091096208260954,5.298127186719442,7.20589508028004,8.413995853507457,9.037166863292036,9.326130767919588,9.434167892849525,4.550776903161375,1.0055690691839108,0.0344617250368137,17.772805483924625,11.029632834555688,8.83807083888401,2.7818747975224527,3.273928976056923,7.165034651815654,0.6162466420333568,8.203902112323778,0.3101072499978427,28.694577720951752,-2.888537444276645,-6.395793154382219,-0.6162466420333568,-7.818510580543499,-0.1212653994255066,-28.694577720951752,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,9.9067083556371,10.492690136509598,11.086538555661752,11.681838575118608,12.271150123427075,12.84764868281246,13.405843746976863,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_117,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3241306025230261,1.3105062047947038,3.09131087145342,5.250773719929753,7.088531661711111,8.239830753081451,8.830462027595495,9.103660321899342,9.205698200947984,4.523535979855761,1.0248951762432168,0.040290278800879,17.299015105798933,10.874604685321986,8.62911704776167,2.8241575516601305,3.3186692066513537,7.26436219910436,0.6260495743168082,8.32706580118582,0.3114438051938656,29.11433751959293,-2.941826536516729,-6.512184229515649,-0.6260495743168082,-7.950223131051193,-0.1267908968278996,-29.11433751959293,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,8.708737732136704,9.308971295560166,9.92030998939068,10.532770970788135,11.13694207699788,11.725083956431408,12.291447352417409,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_118,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3173266834809156,1.2785299043478562,3.1155141352374778,5.386369087283072,7.259749840078975,8.409091220636109,8.993657196474354,9.263135673294077,9.363652615344591,4.62854393903031,0.9978204074507068,0.0396378932928186,19.20580168060453,11.447862775208002,9.6796762288572,2.878249562939007,3.10751997547756,6.838259297077096,0.6215039950955121,8.079551936241657,0.2175263982834289,27.96767977929804,-3.10751997547756,-6.838259297077096,-0.6215039950955121,-8.079551936241657,-0.2175263982834289,-27.96767977929804,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,7.143368245720841,7.733373276720495,8.337122291677563,8.944070876885645,9.544402283914245,10.13004070165232,10.6949464154534,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_119,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3262050168831915,1.297194281563289,3.1597642103608736,5.471586061742281,7.3505871151566256,8.47930182895496,9.045385857938491,9.304498216643266,9.400850448867091,4.701750373399606,1.0140037397320123,0.041775291404498,19.847942903554024,11.697043319341038,10.022120457069407,2.904221966913001,3.085117139445864,6.7889606914418765,0.6170234278891729,8.021304562559248,0.2159581997612102,27.76605425501277,-3.085117139445864,-6.7889606914418765,-0.6170234278891729,-8.021304562559248,-0.2159581997612102,-27.76605425501277,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,6.550881635944359,7.147067210896592,7.75681816816972,8.369755949728985,8.976149610236451,9.567917087971647,10.138953545859914,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_120,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.329327243104262,1.292904491124736,3.1143103229723312,5.429140229321799,7.405193936454207,8.63650871989996,9.265934403617102,9.55656568769299,9.665032820475773,4.645783790426204,1.013716328661651,0.0428372347357854,19.8349543016896,11.484754724108855,10.15322884687297,2.821381474257623,3.058446061083397,6.730269596609189,0.6116892122166793,7.951959758816832,0.2140912242758375,27.526014549750567,-3.058446061083397,-6.730269596609189,-0.6116892122166793,-7.951959758816832,-0.2140912242758375,-27.526014549750567,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,6.239524865131826,6.847061010141182,7.468197734286456,8.091743535638058,8.707513793390513,9.30723573596207,9.884786853359548,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_121,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3126008648356169,1.280224162777652,3.157174962065555,5.5104391694849735,7.452654833298773,8.635982622589529,9.234530676288111,9.509649094882716,9.612137098860202,4.723185272166007,0.9963916773683122,0.0383154644273262,20.21681380145305,11.748137477946166,10.312764993301004,2.908338655145857,3.0352503371443533,6.679226199903681,0.6070500674288706,7.891650876575318,0.2124675236001045,27.317253034299178,-3.0352503371443533,-6.679226199903681,-0.6070500674288706,-7.891650876575318,-0.2124675236001045,-27.317253034299178,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,8.146505538924073,8.731506039386113,9.329717149363926,9.931577148318844,10.527912098578629,11.11097069096487,11.674800655630664,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_122,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3300880291825872,1.3039091898110255,3.158186741046213,5.555230040229718,7.597869561748345,8.859409199477112,9.500501334981887,9.795666580221974,9.90569014250966,4.742141928629652,1.0219383394630608,0.0421971477224695,20.308535412932088,11.900523317639594,10.277289426488068,2.916210942759093,3.034998026121372,6.6783808932865,0.6067159775003319,7.888725846124028,0.2130454800487753,27.309309680613502,-3.032161748881946,-6.672719683916605,-0.6067159775003319,-7.8858895688846,-0.2116557042014565,-27.309309680613502,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,7.047501935201388,7.629615073385702,8.227289824496284,8.830778035499232,9.430436869508805,10.017981375345576,10.586970783452587,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_123,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3377779843093565,1.3268412804691638,3.115373662363877,5.301445169004186,7.13814575475166,8.275360518592823,8.85506433856546,9.12241086214938,9.222137818324953,4.567487050943449,1.0430608258849337,0.0430270326273185,17.287728399631632,11.08478262752458,8.365466276000195,2.828915246084209,3.199512025458205,7.001214819043997,0.6013031563899848,8.009937276578084,0.3050242640555521,28.02362325509072,-2.813519538441643,-6.2307738149589404,-0.6013031563899848,-7.623944789561522,-0.1158879454174367,-28.02362325509072,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1887,7.396751085550067,8.000460883482823,8.619287399000175,9.242596782726912,9.860320421327426,10.464054639367884,11.047418103372635,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_124,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.113915676719188,0.4126277360340531,1.180006401317209,2.898048654670516,4.923380154526625,6.3658806077850585,7.1431093423524885,7.509701988632062,7.64767492966131,2.2256180558414167,0.32754260022033,0.0133634941090756,7.95114316143191,2.5405549751622,5.025149152517863,0.5120201320440979,9.102798107482425,21.003783352346844,0.9335416155967948,7.937945523143693,0.7677267809878469,32.29172842763297,2.3152859529574705,6.4008158990859805,-0.0980720501987537,-7.937945523143693,-0.7677267809878469,-8.972818204188986,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,9.0014958636177,9.297398467883417,9.540899429821756,9.744639454344986,9.91859255422265,10.070564082166731,10.206594155763348,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_125,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1011807509293092,0.3978969565188623,1.1439936847187644,2.7878919005812244,4.7493269079060045,6.157184286102143,6.918378976446384,7.277938310350643,7.413344777786783,2.142259963591711,0.3117870539245664,0.0105208802982342,7.12558412349674,2.281970469341681,4.55744915993551,0.4145645537995567,8.62103564206048,19.73500253844124,0.9534025692938608,9.11912380421592,0.7917361504004093,34.01147087847227,0.8078168766496253,2.8952323861174247,-0.2634865313394628,-9.11912380421592,-0.7917361504004093,-14.66409314686068,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,17.25302796295662,17.63874394244845,17.952438793171893,18.213352826071667,18.43579199730605,18.63035539158261,18.80482837829567,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_126,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0959714721603964,0.3646572305846519,0.967382633529887,2.2941829346105305,3.816816916362155,4.869600196567583,5.427152868929023,5.687975918025964,5.785798392748196,1.7771334444930895,0.2909826756951071,0.0095355860551482,5.263480806711006,1.6376305098351365,3.3175610801109308,0.2967292209355027,7.017597760675466,15.764143021925255,0.7063819594518937,6.020317337446223,0.7179138123426526,25.548764258565104,1.7540180334170024,4.532276173960036,-0.0032290073021107,-6.020317337446223,-0.7179138123426526,-2.8356744115950803,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,16.474084598356242,16.960420812415155,17.358251355405308,17.690509356396294,17.97428346172443,18.222218440205538,18.44358217558837,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_127,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1022875906183618,0.4097536125031205,1.2257107220251129,3.038196852222673,5.17198524634783,6.691066482414658,7.509462963669382,7.895463666156847,8.040740484979352,2.329285606584565,0.3190699277386848,0.0106845300528672,8.822180674866889,2.747762560442128,5.584379565381402,0.4022798978904507,4.7686770832675816,10.289531013714804,0.7540885012248338,10.801385093066251,0.7530659182289634,31.38427042858624,-4.7686770832675816,-10.289531013714804,-0.7540885012248338,-10.801385093066251,-0.7530659182289634,-28.942809669400468,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1887,15.458180160436594,15.733484674005108,15.958958912614015,16.14833593279562,16.311969193943234,16.457586347845975,16.59086157662163,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_128,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1277150361436829,0.4186443568084063,1.0306039355069645,2.328944877436488,3.81424477228212,4.846685731778167,5.395581276281745,5.652857026362647,5.749430849328903,1.825204302840524,0.3412761335684189,0.0167951425572368,5.124697010485627,1.708622707821364,3.211340550696903,0.320685080668468,6.840831034506275,15.471733616130203,0.6678978890108805,5.628219676174839,0.7026219793220413,24.29879468464481,1.8145881473500312,4.76540460036559,0.0089473893816911,-5.628219676174839,-0.7026219793220413,-2.0592253005227565,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,9.78044519908163,10.068618172175553,10.3018923306988,10.493711943250604,10.65435473405378,10.791745013863585,10.912020617292876,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_129,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1032654839289539,0.415425410533544,1.271635259562539,3.2281890378423506,5.516490384826336,7.124519458446682,7.983921061238177,8.387689745419243,8.539401963729228,2.461725156965041,0.3227549620460928,0.0108715881343386,10.25543648260046,3.072418705658417,6.453313784060298,0.4214468215339161,4.957651195572844,10.705892171973234,0.7923856873653967,11.296736694496015,0.7652391423633611,32.7121128515182,-4.957651195572844,-10.705892171973234,-0.7923856873653967,-11.296736694496015,-0.7652391423633611,-30.67874213771353,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1887,13.80873224233033,14.036486312208444,14.222690676879518,14.37936485954604,14.515513516804562,14.637821359778703,14.75116213882836,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_130,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0932839288098486,0.3743696663098037,1.110462507942361,2.7816320053877304,4.705721138298063,6.043646927044762,6.755072480633283,7.0885697605780615,7.213762814070201,2.130130381503048,0.2933078856293547,0.008985777033615,7.775205054298873,2.353044561330196,5.02380912817781,0.5101396112234415,8.225897573058148,18.87294813916793,0.869787998270681,7.99922871959683,0.7625049801565625,31.05372913800503,1.27680844064177,3.934542918976721,-0.1744680460487357,-7.99922871959683,-0.7625049801565625,-10.716512634771645,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,16.747205046343748,17.289616196094865,17.735199856551947,18.108298696731865,18.42726266537405,18.70576820493857,18.95389297574029,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_131,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0875492300808376,0.3693753939496831,1.1011898334888894,2.7018835209011645,4.550584910025791,5.846328587262066,6.538561160709374,6.863786433594668,6.985989757925226,2.079116547216219,0.2864565891894353,0.0079139626640411,6.855657829352145,2.177782344339509,4.446227946409581,0.4588770164415622,9.0566107670495,20.908234660527818,0.8890896242845359,7.036481014685413,0.7537943324985892,30.434771594565493,3.018869290793394,7.952060997224659,0.004383850988781,-7.036481014685413,-0.7537943324985892,-4.953459337264695,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,15.692621319888683,16.36242435649272,16.92782854390567,17.41105774619576,17.82997420266357,18.198534816957423,18.527424752123903,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_132,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1019637746256961,0.3661138206642535,0.9610366506730668,2.5226954132929253,4.508632218518208,5.945476333164006,6.721222005944952,7.087080542365313,7.224748796469425,1.886726311896896,0.296304367950136,0.0107666713801557,6.778932490969713,1.8547083188335145,4.164348092470355,0.1680659031930129,10.638126818504224,24.939338671037824,0.9399972250068416,5.54393315767324,0.708275230845084,29.635447188606392,6.045008595213566,15.097555574273263,0.2810751679490735,-5.54393315767324,-0.708275230845084,3.2785649062956823,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,12.282417764804478,12.49807724604068,12.67354768259795,12.821021521161668,12.949478137218108,13.065484817673074,13.173759335736095,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_133,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.096904336778927,0.363010425876685,0.9192831528664756,2.1501511314979806,3.6477182436169726,4.728422773983575,5.313522758087219,5.590011088803733,5.694147479112539,1.6621947494710652,0.291172660719406,0.0097218935602415,4.331504022674201,1.2985924529036006,2.858185760490766,0.3177489464136098,8.361888069229085,19.250096187435936,0.7878946897217375,5.622489541620681,0.678708605913272,26.461034009599203,3.586511243992229,9.033609589796695,0.1183002057113405,-5.622489541620681,-0.678708605913272,-0.3227453508166798,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,16.956133992067123,17.431472541389272,17.819662362970387,18.143344119958805,18.419423126022384,18.660437316581152,18.87559780894237,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_134,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0956104265632632,0.3728262866693301,1.0909157690297064,2.74863100218002,4.667750875009952,6.0042118819736725,6.715251513772435,7.048646845468147,7.173813903893983,2.100461458624004,0.2940389844698868,0.0094565644893319,7.374833404808698,2.291502533881364,4.735086625129744,0.4775191017254424,8.601975864473989,19.804325893479568,0.8870186628294554,7.76408941424186,0.7603030983330583,31.14919833833257,1.891426260286612,5.380939733485788,-0.1192087512616064,-7.76408941424186,-0.7603030983330583,-9.099898225309897,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,16.827626011414157,17.39161304536599,17.85764346963739,18.2490205925549,18.583704825319344,18.87536409181916,19.134275358973667,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_135,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1034021438135686,0.3870081030187428,1.0884165438219744,2.652380220983496,4.480715396737786,5.77034083357887,6.461249185850018,6.786238550155989,6.908411552686352,2.040979707279202,0.3070417713060612,0.0110476866000819,6.8653317781912895,2.131717037274252,4.432187195713411,0.4812377106705188,8.577961241858324,19.65806985465705,0.8486043970187546,6.85580174931236,0.756649475058866,29.480968063093343,2.66897326391128,6.997609974097351,0.0017587278711482,-6.85580174931236,-0.756649475058866,-4.392858702810897,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,15.817487827752476,16.191191589063255,16.50214883675516,16.7651945583005,16.992021465756185,17.19172694251284,17.37127824777995,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_136,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0991036631055884,0.4125196678051047,1.2139848432796487,2.9670710561545324,5.062963551574693,6.563736637859223,7.373231085642002,7.755097493866023,7.898818862251551,2.2775477905863206,0.3191944977953715,0.0099658462840791,8.625194977395006,2.587268252737663,5.524753010389151,0.4548437504259246,8.69122588708885,20.005067646702702,0.9075444754007276,8.010171493748615,0.7594517565734127,31.781437869444087,1.811929534149481,5.203606914715909,-0.1390209079930449,-8.010171493748615,-0.7594517565734127,-10.081177466306809,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,16.943271693675406,17.450495975358848,17.86718554001259,18.21569958557265,18.51306752527969,18.7721349100254,19.002488351314938,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_137,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1010524784361848,0.3958431674224335,1.1051320663726152,2.654560658096414,4.520874448840188,5.8694660706944495,6.601054147141512,6.947150993056888,7.077569643361505,2.0444015054910567,0.3111782944363725,0.010478508757556,6.483326389039661,2.054595520304547,4.173893186297227,0.3681786394930433,8.691988639744196,19.940156061740268,0.9432607835871656,8.769532273472617,0.7796998463446223,33.37797189160938,1.1857612968275777,3.7674797451716815,-0.220498593106304,-8.769532273472617,-0.7796998463446223,-13.172403176129407,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,17.932308393839843,18.348069976848887,18.685712281615675,18.965951154259454,19.20416361845167,19.41173550515646,19.59703762123034,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_138,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0844515309537658,0.3415766517981809,0.9748610615182866,2.567841890940675,4.566332702307431,6.016490463925254,6.802170655251496,7.173433275988928,7.313255793530936,1.925277500500745,0.2700527251336891,0.0074050219747629,6.874269248077054,1.889240165914588,4.25507887061745,0.1987838400548023,11.327235705604588,26.53294335362849,1.0130798045916805,6.170124172601146,0.7619719444339315,32.11530729817562,6.2124981253377465,15.564257373693437,0.2703153537699538,-6.170124172601146,-0.7619719444339315,2.4047292653065577,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,16.27862501241444,16.8948401083824,17.40273413814848,17.830252445963495,18.19797431884487,18.52086980764585,18.809713191083944,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_139,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0958163799692191,0.3580590802557438,0.9170492072755926,2.207252512212603,3.7650867149770506,4.873670952145696,5.468933477463563,5.749119658160316,5.854472965015558,1.69481584373392,0.2877890229329495,0.0095129263466977,4.647151881443432,1.3877132024204424,3.015333837947129,0.2857808540274111,8.37203701889135,19.31542246189702,0.7956189623722815,6.042702047930218,0.7108988631728805,27.288801096546194,3.121587252467139,8.083697392113013,0.0605224235936046,-6.042702047930218,-0.7108988631728805,-2.115060454600881,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,16.944720683723656,17.397538316452213,17.766843803743654,18.07480539435406,18.33784579073825,18.568054592170046,18.77424533835201,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_140,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3716775721630697,1.178870067725373,2.5400683082254343,4.583869580779296,6.635565532505614,8.007878825222368,8.728284185985157,9.064357301591114,9.190281461334404,3.842444547593442,0.9636592168405588,0.0608956017124404,14.607080459496387,7.668888108745786,7.678886495617431,1.7906802568052724,12.545822627194262,29.1893370321164,1.2515542086594338,9.387475799932387,0.8765358720932066,40.83068037677452,4.873596739193835,12.61909636192907,0.0230374522957928,-9.387475799932387,-0.8765358720932066,-8.309989877771114,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,13.703964113959303,14.41112623741932,15.053630174646116,15.64076699552415,16.17899288112672,16.673125780724835,17.127058958348204,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_141,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3847112845680676,1.188108408257326,2.532394703416025,4.49052913162007,6.427236934975755,7.722584648881624,8.404068121116847,8.722433917609015,8.841802392213918,3.7863440327639872,0.974396600924898,0.0663599381888326,13.764549394417257,7.533982505310389,7.169744330891724,1.830868715852666,12.456129568110176,28.961141844389363,1.2487452887211503,9.487925098360687,0.8811449185561425,40.909664949020005,4.682091011253257,12.172384969216818,0.0052708512322714,-9.487925098360687,-0.8811449185561425,-8.829312550535166,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,12.750270176679116,13.485436372526008,14.151348911096242,14.756522318371278,15.307521042250974,15.80970008854056,16.267650869053906,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_142,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3707223431113168,1.171682026851712,2.5831348621614425,4.690869565035775,6.7576902996645485,8.12350138481578,8.837020362701786,9.16923929649921,9.29362564725338,3.932971595670456,0.9554061306458852,0.061957476426259,15.344609346386957,8.021439035056625,7.8129424324817265,1.7201279006657366,12.570152353886307,29.26891955920148,1.2428364872583368,9.158651818279813,0.8699639354054204,40.38591415403011,5.091844090649204,13.121724263408415,0.0495047160003591,-9.158651818279813,-0.8699639354054204,-7.3473566962889985,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,13.222342967100802,13.980417019680605,14.670927902441928,15.300460043489595,15.874574282755471,16.39817725183249,16.87573415057524,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_143,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3572238430255118,1.1660075616843997,2.533880324307722,4.4901793505575744,6.4211305946210695,7.714464486518461,8.395346779477796,8.713507972703301,8.83280976026499,3.788361944403156,0.9475998043923576,0.0565810899135927,13.819168514023534,7.537054674178832,7.1020951269556205,1.7218696313879598,13.13796441357375,30.616368435797742,1.2930340913643092,9.380574259597084,0.8928005467853505,41.773882540344665,5.512621982572594,14.146994952063327,0.0716429620122528,-9.380574259597084,-0.8928005467853505,-7.0817626337375765,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,12.802758935732571,13.523838230930506,14.186043871767977,14.795278725768576,15.35611829323162,15.87237988231634,16.347463644269446,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_144,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3777441330648303,1.1812995770769603,2.564884012761147,4.615367536031768,6.639163191611571,7.985477956584055,8.691371735169582,9.02059256814553,9.1439429617375,3.8772096724600433,0.965874651233334,0.0640890503479025,14.64491149514733,7.841567385138169,7.553520908551223,1.775570023770626,12.702086583842478,29.563791725030057,1.2642944132989409,9.418228904537653,0.880717552637899,41.14514312183391,5.018130590788184,12.96658795588477,0.0323068433813513,-9.418228904537653,-0.880717552637899,-8.134359674869675,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,13.222504708033709,13.97733597651587,14.662879073812546,15.286907999954291,15.855626361389552,16.3742452868072,16.847332528031988,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_145,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3884607137120979,1.190680703188213,2.56455629691502,4.604217843107604,6.619057336586348,7.958268501899533,8.659911904548082,8.987020852572819,9.109558661257214,3.869388169027761,0.9764416138987776,0.0681978302153805,14.73002714251816,7.794755521951471,7.739071115862382,1.763871675110098,12.561630768473536,29.22550254473356,1.252900161153894,9.39919052188512,0.8784735654579613,40.88435015063613,4.877443520836213,12.630104725693837,0.0231296648931607,-9.39919052188512,-0.8784735654579613,-8.306469699793189,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,11.491880221122733,12.292527814088595,13.014977335331,13.668435837649154,14.26041139509604,14.797239708164112,15.28443445864744,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_146,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3916884740894819,1.1957970964359883,2.593926796574836,4.715052734284778,6.80881462384983,8.192846975806651,8.915448837987125,9.251758218082603,9.377651500439049,3.94928553795753,0.981104474937068,0.0692767259104697,15.398976832991952,8.016876712400027,8.012474059788218,1.7605718784147588,12.612855323041536,29.36433791847329,1.2461556547284425,9.196731261590706,0.8776626513763821,40.55115854179701,5.090375040520177,13.125271634332464,0.0492026645565608,-9.196731261590706,-0.8776626513763821,-7.326961065078263,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,11.450401100928447,12.28079256260037,13.02743982900329,13.70106884150332,14.310213780483076,14.861902822428116,15.362124246395435,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM1887_147,RSM1887.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3827973956851037,1.1913619179344872,2.5362902759784696,4.483827970393765,6.410714271447636,7.699067846731601,8.376534784031133,8.692929124797777,8.811541977473548,3.783425826128469,0.97597936455956,0.0653702433528232,13.77250468291777,7.49655401199912,7.211173606222896,1.813994421627579,12.660292881906225,29.455408795965663,1.2627739867709589,9.471773516372023,0.8850012355490481,41.20186195350357,4.917744590602703,12.733724688327268,0.0234238770711578,-9.471773516372023,-0.8850012355490481,-8.372142434488477,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM1887,13.31300374912228,14.022222195292246,14.66836390464649,15.259021812827898,15.799838095066882,16.295335758006985,16.749399972890433,"NCCCCCCCN.[C]#N.[Cd].[Ni],pcu.cat0","linker NCCCCCCCN, [C]#N, nodes [Cd], [Ni], topology pcu"
RSM0466_0,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0097027211818499,0.3024567046453872,1.4944092172147934,3.443893228735264,5.305774156691298,6.517594755832336,7.147174182251081,7.439720537613608,7.549171277964856,2.748330841544868,0.177560956575467,2.3203810768850587e-05,8.812272765696898,3.9635140662132633,4.692573863996152,0.6627995605988867,20.000000000000007,42.694,2.0,6.000000000000002,1.5300000000000002,58.000000000000014,-20.000000000000007,-42.694,-2.0,6.000000000000002,1.5300000000000002,-58.000000000000014,-20.0,-42.694,-2.0,6.0,1.53,-58.0,-20.0,-42.694,-2.0,6.0,1.53,-58.0,RSM0466,20.02809734350234,20.502995615544297,20.882337659249824,21.189344764155106,21.440807768538548,21.64904363085973,21.82321447837293,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_1,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0097117005625774,0.3025878183856914,1.4947353182436691,3.444305258118728,5.306174705495756,6.517964989476575,7.14752428184676,7.440060490023719,7.549507319144575,2.748728887189209,0.1776512945333977,2.324579625287956e-05,8.813476797284006,3.964596449248847,4.693115669056726,0.6631284801050503,20.0,42.69399999999999,2.0,5.999999999999999,1.53,57.99999999999999,-20.0,-42.69399999999999,-2.0,5.999999999999999,1.53,-57.99999999999999,-20.0,-42.694,-2.0,6.0,1.53,-58.0,-20.0,-42.694,-2.0,6.0,1.53,-58.0,RSM0466,19.97385054702501,20.45080825242415,20.83183001007051,21.140219106968768,21.392829123992392,21.60202507076245,21.77700604824788,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_2,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0138006260046325,0.3676237791503394,1.668986369548157,3.690808950852981,5.570967635290551,6.778259914466217,7.401634696845548,7.690524126596631,7.79848872640256,2.977613226062432,0.2218950069920174,3.790150372996821e-05,9.657921563146571,4.647564888286792,4.995625899696948,0.8335398420428017,20.000000000000004,42.694,2.0,6.0,1.5300000000000002,58.0,-20.000000000000004,-42.694,-2.0,6.0,1.5300000000000002,-58.0,-20.0,-42.694,-2.0,6.0,1.53,-58.0,-20.0,-42.694,-2.0,6.0,1.53,-58.0,RSM0466,18.06973290338042,18.803800720430985,19.40468655979923,19.90065841455476,20.31346521664565,20.659856574666264,20.95278698810219,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_3,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.01379139139723,0.3673709829803113,1.6679990850752642,3.6890889511859104,5.568936526871973,6.77615262115769,7.399515584838532,7.688404887942454,7.796370243763763,2.9760955582965503,0.2217370676651165,3.792973737537357e-05,9.649439148739296,4.643176056350519,4.991719360585774,0.8325678030433658,20.0,42.694,2.0,6.0,1.53,58.00000000000001,-20.0,-42.694,-2.0,6.0,1.53,-58.00000000000001,-20.0,-42.694,-2.0,6.0,1.53,-58.0,-20.0,-42.694,-2.0,6.0,1.53,-58.0,RSM0466,18.08253691861153,18.81475070030205,19.41418799924204,19.909004449097388,20.32087387133217,20.666493857663443,20.95878178633288,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_4,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415188640626682,0.5139753137211058,1.4559788088095926,2.985269134141111,4.448894794039103,5.401848814468012,5.896983743642956,6.127061267941708,6.2131404728126105,2.4388728037058813,0.4001348665133913,0.0202339119481598,8.993416102981332,2.37376688714638,5.900040743362369,0.3224651897236958,4.911328402619964,10.661188638314613,0.8402254474248417,11.633131982018698,0.6101184252443056,34.25913930663909,4.911328402619964,10.661188638314613,0.8402254474248417,11.633131982018698,0.6101184252443056,34.25913930663909,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0466,3.319664489756434,3.9657056141928906,4.6357475797427,5.312861204290106,5.983612688215242,6.6381717186202405,7.269944622835624,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_5,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415167790680661,0.5137989730321704,1.455280875340607,2.984222166840126,4.447741807379027,5.400692708282846,5.895842708375944,6.125930838595506,6.212014581622772,2.4379100283780453,0.4000341453750667,0.0202345070564523,8.989683364685362,2.3717946321561407,5.898018275110011,0.3219875690032339,4.910139321393216,10.6589281283249,0.8403330449795209,11.63280368122938,0.6093875386833795,34.27261654160038,4.910139321393216,10.6589281283249,0.8403330449795209,11.63280368122938,0.6093875386833795,34.27261654160038,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0466,3.316698676712229,3.9625711691839056,4.632531298485318,5.309632395704581,5.980423164105231,6.635058054175767,7.266931105580832,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_6,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412262642618131,0.5050098736832861,1.43251422616811,2.990695514509357,4.508453596360245,5.502870062349278,6.02069337202374,6.26151611422928,6.351644542715462,2.429246028897883,0.3947701224482175,0.0202123723332076,9.156143412995284,2.3755134218732703,5.991585825804872,0.3003789489349817,4.910312137362599,10.664231207076163,0.8451423322053734,11.671450795005583,0.6004470282412813,34.60840256756315,4.910312137362599,10.664231207076163,0.8451423322053734,11.671450795005583,0.6004470282412813,34.60840256756315,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0466,3.320249736551181,3.966991477430777,4.637611648322674,5.315194062931505,5.986319543602838,6.641172037309439,7.273170800334912,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_7,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412552824437746,0.5051580599198005,1.4330406264796816,2.9914638362403903,4.509262025179636,5.50364347736986,6.021433403449801,6.262237460066604,6.352358404823564,2.4299599425135385,0.3948659059269312,0.0202203867704627,9.157411970219009,2.3769960890093107,5.991758209475654,0.3007468315391712,4.908749169518272,10.660920665621424,0.8449547137201912,11.668386879279804,0.6001032922102723,34.60308411282203,4.908749169518272,10.660920665621424,0.8449547137201912,11.668386879279804,0.6001032922102723,34.60308411282203,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0466,3.316945183788109,3.963534254334308,4.634068837403164,5.311619897217488,5.982755189166196,6.637647110082448,7.269705488211612,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_8,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412684585323007,0.5053008295100819,1.432860407744288,2.990088134416725,4.507146726527961,5.50120905936812,6.018859338271351,6.259601984083095,6.349700347769069,2.428973931320128,0.3949621785873979,0.0202233664970366,9.152351814958145,2.373526426736089,5.989371076548534,0.2995515182610179,4.911690220013696,10.667102689361595,0.8452617327448623,11.673784081972594,0.6008363990094785,34.60987019207187,4.911690220013696,10.667102689361595,0.8452617327448623,11.673784081972594,0.6008363990094785,34.60987019207187,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0466,3.3219945867433127,3.9687910242794624,4.639449662984398,5.317052623897166,5.988180704349685,6.643019026490116,7.2749887818811825,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_9,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412433319970508,0.5050792561136218,1.4321083135678327,2.9890968655279835,4.506181933980753,5.500319787045926,6.018021236761656,6.258789962800424,6.348898430541645,2.4280200820857583,0.3948239410368899,0.0202172243171772,9.149730802577984,2.3715757808618494,5.988227743016284,0.2990384996819283,4.914743034459011,10.67349394671366,0.8455554998887812,11.679187033569264,0.6016440880427951,34.61516981991963,4.914743034459011,10.67349394671366,0.8455554998887812,11.679187033569264,0.6016440880427951,34.61516981991963,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0466,3.316754367902337,3.963410077666104,4.634008329939693,5.311615752000512,5.982797656355429,6.637725484279868,7.269809156900407,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_10,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415539887921008,0.5139554366224772,1.4552749708115142,2.98336440612535,4.446576447998097,5.399606117252291,5.894861348650015,6.125010429262122,6.21111873333025,2.437319518294731,0.4001503142406905,0.0202441228195414,8.989695106463339,2.3698772634607304,5.898850868278839,0.3210581727798835,4.907783962976263,10.654085510476282,0.8401922036785016,11.629321592404274,0.6086034816272469,34.27453444261378,4.907783962976263,10.654085510476282,0.8401922036785016,11.629321592404274,0.6086034816272469,34.27453444261378,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0466,3.3209657588797583,3.967089399917549,4.637155342214347,5.31425182697925,5.984959185605934,6.639457781206872,7.271161593854689,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_11,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415732027483066,0.5138240004595116,1.4546678538771718,2.9824777985623334,4.44562439702855,5.398655941288381,5.893922042511236,6.124078247329338,6.21018954294824,2.4364936965230464,0.4000877122637094,0.0202506821628492,8.98648581211149,2.3682622685157395,5.896939964660865,0.3205983833532064,4.906219705747343,10.650916900742484,0.8401447421317643,11.627377642801454,0.6079963775605093,34.27903342048678,4.906219705747343,10.650916900742484,0.8401447421317643,11.627377642801454,0.6079963775605093,34.27903342048678,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0466,3.319438662697461,3.9654205658120656,4.635399249797435,5.312451978186576,5.983148577475114,6.637660438917365,7.26939434921113,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_12,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141246798587809,0.4814707189322227,1.3019615915291638,2.728739444528324,4.1532240241435145,5.097086509146775,5.59108977003736,5.821353157445509,5.907610269866902,2.2089541010987417,0.3824120600581955,0.0203216109323422,7.705123074736273,1.7969663779741414,5.265472813294821,0.3256032136537662,4.745152305470131,10.262253998972358,0.7747349672243724,10.94303204326511,0.6589647123885098,30.50568617835543,4.745152305470131,10.262253998972358,0.7747349672243724,10.94303204326511,0.6589647123885098,30.50568617835543,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0466,3.5967655202987125,4.277731915528008,4.9760141987972535,5.674438954422651,6.359911414484898,7.023276978275129,7.658768422557652,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_13,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412462683658687,0.4814163975440002,1.303329854087914,2.728691951626504,4.144647250247823,5.079673017882756,5.568219152304842,5.795764346880488,5.880976132772958,2.2102969936402013,0.3823439716861777,0.0203216451867745,7.716035850331113,1.7948139552815865,5.259813255871415,0.3139962520847041,4.704708744846321,10.176131796101632,0.7694357094668105,10.860194420580804,0.6509034362063425,30.336955938445136,4.704708744846321,10.176131796101632,0.7694357094668105,10.860194420580804,0.6509034362063425,30.336955938445136,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0466,3.626541290734231,4.310602087728505,5.011054583587709,5.710807316278803,6.396896214102169,7.060308031826258,7.695407426800526,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_14,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141277448296488,0.4815725141132009,1.304018705357091,2.7292970642638927,4.144511120721352,5.0789159724185104,5.567119983517208,5.794503510521247,5.8796544818057725,2.21104908585808,0.3824405482431462,0.0203302713395775,7.715144306106505,1.7962551318023374,5.258739790412527,0.3143478094030015,4.705352090730406,10.177646083082744,0.7696599848057339,10.862631969176276,0.650769208864279,30.349438482749346,4.705352090730406,10.177646083082744,0.7696599848057339,10.862631969176276,0.650769208864279,30.349438482749346,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0466,3.628222784590534,4.3127888498282525,5.013683730114289,5.713803226642187,6.400179978601106,7.063804089677143,7.699047525103926,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_15,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412160559814738,0.4812928035079852,1.301059708976972,2.7275940027277863,4.152593147315965,5.096987850834031,5.591305377171349,5.821721589313741,5.908036863428001,2.207771359426936,0.3823067002136586,0.0203131050955963,7.703197954370408,1.794560423862489,5.265247626592226,0.3252074908772081,4.746038709012831,10.263974393548777,0.7746889886897681,10.943550618530974,0.6594453717173943,30.498035663219607,4.746038709012831,10.263974393548777,0.7746889886897681,10.943550618530974,0.6594453717173943,30.498035663219607,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0466,3.5964747275946847,4.277376043111378,4.975593674903041,5.673959610229804,6.359382105717404,7.022707838846034,7.658169670987357,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_16,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1590344330701045,0.7851406320647034,1.910585934621764,3.5404534189286925,5.104790852472581,6.122032465368852,6.648803249998154,6.893057576645628,6.984348983077329,2.9585599950001646,0.6072769460840345,0.0101253460549136,8.967275857732378,4.236094622025968,5.356883756142465,1.2732761075452343,1.9048921489057504,3.939967768423876,0.1367068323815411,2.99854680795808,0.5913516955476693,12.258597392159574,0.5378238250903389,0.9316628343152246,-0.1367068323815411,-0.5558308339619902,0.4956569128805906,-12.258597392159574,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,6.738096166783552,7.55583496461314,8.365503709395615,9.16089887400497,9.936932373789135,10.689357192031858,11.414720707653004,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_17,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.101936839004629,0.7340453038047425,2.1822315848426457,3.970191927796295,5.405354466103463,6.270622592286139,6.70703383284778,6.907469510365246,6.982119007495182,3.379430432806555,0.5279064266860908,0.0037176464205857,10.75198650174268,5.282551217655692,6.608212550514992,1.7395517978215105,0.6190863304030052,1.263503626161361,0.0279617104801384,0.8427800142441126,0.2230652098790778,3.654665861617795,0.339469225601621,0.6481916469564654,-0.0279617104801384,0.1157755417605136,0.2034920125429809,-3.654665861617795,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,7.796683032576917,8.593728124971062,9.375223844323353,10.138615427079628,10.880801380831524,11.598600112326746,12.289152319880923,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_18,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170977513335953,0.9004219450112592,2.1719022329118904,3.935236569932135,5.481636091187672,6.434119814382948,6.915144744614569,7.135775155675759,7.217872116458629,3.326007102710675,0.7075991357031386,0.023343073151389,11.398319059253284,5.302652518816828,6.908968956487926,1.7044813077188514,1.9593866038309269,4.286679774682626,0.3675784922866092,4.900014542123801,0.18271736566737,17.14850286488682,-1.7163983190351657,-3.802076088900199,-0.3675784922866092,-4.657026257328039,-0.0745875789332561,-17.14850286488682,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,9.354883294666164,10.121919127149498,10.86828813246242,11.589809753084731,12.282875803425512,12.944784599068546,13.573800088304626,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_19,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1590535242385762,0.7851920817467604,1.910915268435091,3.541257342912142,5.105757198416278,6.122971543645548,6.649696073664352,6.893922533545207,6.985202551379456,2.9592270285760143,0.6073164193806999,0.0101281652381536,8.971065815635212,4.238379732322222,5.358342413844042,1.2736865179943615,1.9055221138494387,3.94129341118985,0.1367740210417183,2.999714282183185,0.5915060512097783,12.26309099008156,0.5377819034322554,0.9315099556758965,-0.1367740210417183,-0.5564102649014911,0.4957642364805756,-12.26309099008156,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,6.735257641139121,7.552608638149495,8.362168201646394,9.15762180558641,9.933810432462485,10.686442428948732,11.412037472601602,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_20,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1019114613251906,0.7339917472023536,2.182257359649995,3.970313376621229,5.405556681181969,6.27088862395785,6.707337541124572,6.907791791403787,6.98244840923776,3.3795224752135016,0.5278515798995598,0.0037155886161356,10.752170491583794,5.283058985357827,6.607971315284779,1.7395730003166243,0.6213051000183589,1.2682869197810385,0.0283092245074484,0.8477788960779469,0.2234009735567037,3.6727099902407634,0.3382128549438739,0.6453277136978903,-0.0283092245074484,0.1117390588842858,0.2035845164014898,-3.6727099902407634,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,7.788969461809367,8.58652180174522,9.36850403886974,10.132357021458557,10.874977152468423,11.593182139661875,12.284112848264355,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_21,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170715550959087,0.9003009973847803,2.171472992527217,3.934553441978378,5.480908366389451,6.433403921555771,6.914439624536761,7.135075442172924,7.21717445013236,3.3253803999219373,0.7075116821265279,0.0233414263383037,11.396067856082103,5.300907666576098,6.90819393845994,1.7038449618453988,1.9596753586964804,4.287382030829244,0.3677010690613277,4.901283911187101,0.182616030129944,17.152398174708956,-1.7173353319167972,-3.804071198421184,-0.3677010690613277,-4.658943884407419,-0.074774718212985,-17.152398174708956,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,9.354686707740209,10.121781012840264,10.86817351887483,11.589698715906277,12.282757102089858,12.944651863728405,13.573649631216377,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_22,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.159220857999435,0.7853219030384361,1.916798199838363,3.566778768755322,5.147480724278521,6.172195729779326,6.7019023393323245,6.947316363073496,7.039009662623943,2.97755763942778,0.6074469012357846,0.0101768107821672,9.096436177136184,4.321597439451229,5.399794025596787,1.2833466889702936,1.8954496094626487,3.9111749053205047,0.1270453018774502,2.911812024482251,0.6052651351906598,12.01815408486225,0.624996590688147,1.1154769739502357,-0.1270453018774502,-0.3913658243314548,0.5163334238764448,-12.01815408486225,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,6.7552858112080765,7.581263222477557,8.398515073406841,9.200499238317327,9.98195442427883,10.73859501130983,11.46702404237309,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_23,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1023275412342743,0.7354394401407444,2.185749345739332,3.982318704699121,5.432480819341205,6.309879376752568,6.753085581811385,6.95676810308088,7.032645238675733,3.3875418166832936,0.5290389136932521,0.0037441374643402,10.838589955685864,5.32166135986486,6.65457104372586,1.742176043454589,0.7342320509037162,1.51250430556262,0.0467392312807769,1.1081459011499315,0.239097204000697,4.605944880134119,0.266839738095947,0.4839832168288578,-0.0467392312807769,-0.1070741121502683,0.2063797421041532,-4.605944880134119,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,7.77321539621246,8.571907685125908,9.355102826495724,10.120154190930192,10.863904615033604,11.583142013974411,12.27499364089718,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_24,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217389319958509,0.9001662690979543,2.1662322432994374,3.936775388487344,5.506237483978183,6.478731947480062,6.97115808122041,7.197267850722443,7.281441027967436,3.322518137037096,0.7078569008577966,0.0233517127993857,11.479935512071265,5.313563046698199,6.9589383864130445,1.6946064159958192,2.050595149459517,4.488651397492935,0.387044704870317,5.146952788422054,0.1868060198776407,17.993869844703926,-1.8198518992436528,-4.028468596424926,-0.387044704870317,-4.91620953820619,-0.0841252735315809,-17.993869844703926,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,9.359438809794897,10.125814789573772,10.871297413243964,11.59177444753744,12.283700685922886,12.944430717640468,13.572275339602388,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_25,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1591680442717019,0.785208645005455,1.916366097930152,3.5655881273559435,5.145769660985556,6.170282245491879,6.699921169010939,6.945311642854547,7.036997357263364,2.976625313199504,0.6073475411613787,0.0101692682572033,9.092371117636311,4.317881089737342,5.398774195039493,1.2828965307500084,1.893467847202666,3.906931506575985,0.1267629853321978,2.9075717298602486,0.6049125945073153,12.002598942657285,0.6258379938806874,1.1174460975885996,-0.1267629853321978,-0.3882658887768953,0.516178504774777,-12.002598942657285,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,6.753351797179914,7.579299839834156,8.396579526730198,9.19862375532902,9.98015369950592,10.736872360944965,11.465375965821144,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_26,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1023219152058132,0.7354047751677826,2.185645278765988,3.982096985349807,5.432075332240961,6.309318249152742,6.752434259220194,6.956072944516732,7.031933383815612,3.38736962274548,0.5290146419368192,0.0037436753263323,10.838387313069308,5.320666335502876,6.654631796838372,1.7420398285558396,0.7367327296011126,1.517809984138406,0.0470481031788512,1.1131175550319226,0.2396308712121491,4.624625711582588,0.2662516978126005,0.4824920086741323,-0.0470481031788512,-0.1101331276182091,0.2066971989869533,-4.624625711582588,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,7.771559657914776,8.569895824353571,9.352764844427291,10.117518850287777,10.860999399652206,11.579992937560831,12.271625035348476,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_27,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217419121950927,0.9002387498170051,2.1664986599689566,3.937130118327014,5.506524348933909,6.478961092854286,6.971360129620192,7.197458482355161,7.2816276069118,3.3228713897805564,0.7079117292257098,0.023359865679675,11.480336597269872,5.314551866389837,6.9586918094841765,1.6950440056434526,2.0507996400556348,4.489161524717615,0.3871439293243144,5.147951074650151,0.1867109723416675,17.99687678676446,-1.8206396531875104,-4.030141954907172,-0.3871439293243144,-4.917791087782026,-0.0842897781853522,-17.99687678676446,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,9.350162245964494,10.116509799304204,10.862003518937437,11.582512439641254,12.274479577028329,12.935252360408416,13.563137456435983,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_28,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.159167310587507,0.7850798522920394,1.9147412570706064,3.5608233948904338,5.138735527053379,6.162194991515332,6.691398190061209,6.936609250624457,7.02823138939633,2.972922806180937,0.6072855817830323,0.0101724857166782,9.06860443420385,4.304835770811695,5.390377026957018,1.281342840724831,1.8924140357568568,3.9047801720609447,0.1267148134831457,2.9061325436220224,0.604533970630903,11.9963664484472,0.625265900925399,1.116354809661311,-0.1267148134831457,-0.3884526069397671,0.515833601192701,-11.9963664484472,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,6.756031780101998,7.582129478487331,8.399391749654615,9.20129473713972,9.982602158252298,10.739054208170025,11.467276797179302,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_29,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1023254184750734,0.7354072508185097,2.1855543070273447,3.9813311777287823,5.429957750399128,6.306025659182943,6.748459376008385,6.951766616967854,7.027500866704544,3.3869358893123938,0.5290194346220273,0.003744176396813,10.831357163837076,5.318479378414726,6.65008717159053,1.7420447933322445,0.7375547279964402,1.5201799116213983,0.0477567044371034,1.1196083634932674,0.238668033138847,4.6429077287242695,0.2599876836254061,0.4692687969966305,-0.0477567044371034,-0.1220659518714212,0.2052383400328746,-4.6429077287242695,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,7.779567247949201,8.577886404473118,9.360653345699555,10.125260608619818,10.868576301121216,11.587403545046667,12.278877783950346,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_30,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174431211769491,0.9003115792663877,2.166672832261652,3.936760528010265,5.505148321573564,6.476874232505256,6.968911900496635,7.19484623049468,7.2789547452742385,3.322786917610954,0.7079674202456138,0.0233639346850616,11.475821468872905,5.314046593670566,6.955808253251789,1.6953975717686116,2.04847242631568,4.484210064193527,0.3868430769544922,5.143217041951617,0.1862394604208046,17.97922367066824,-1.8199583432292417,-4.028473002590089,-0.3868430769544922,-4.914702958865179,-0.0845506934473396,-17.97922367066824,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,9.357827327272249,10.124128543413924,10.86960983456404,11.59012503351032,12.282108595486124,12.942903273255263,13.570813221126985,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_31,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1591883115865247,0.7851429473228606,1.915128673835644,3.5619532889265724,5.140380153795577,6.164044924648629,6.6933189450988415,6.93855534003067,7.030185781201563,2.973799856664121,0.6073344282238383,0.0101749941071385,9.072951642368476,4.308232031639103,5.391818047280688,1.2817760982486466,1.8941544269292097,3.908500527114249,0.1269567179445197,2.9098081704853684,0.6048548738375239,12.009906493536445,0.6245872474840124,1.1147519312517606,-0.1269567179445197,-0.3910664960721456,0.5159851712763602,-12.009906493536445,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,6.745847086007559,7.571872286069887,8.389095591258005,9.191001182808192,9.972349228846438,10.72887194984348,11.45718656926411,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_32,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1023005158157391,0.7353340450187951,2.185505878345613,3.981438467891014,5.430307375716831,6.306573061245905,6.749119753936483,6.95248160302873,7.028236608569987,3.386975277213109,0.5289543914959463,0.0037421382728515,10.831644879777528,5.318940599239511,6.650099902163786,1.7419391839645049,0.733892050478279,1.512277877405945,0.0471772985078611,1.1113104385411678,0.2381245277605946,4.613006222548617,0.2621190653996678,0.4741168915452374,-0.0471772985078611,-0.1152993226632211,0.2051004188050918,-4.613006222548617,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,7.763269246465224,8.561885671058304,9.34495849612042,10.109869522886587,10.853478761570305,11.572583698867552,12.264316282229371,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_33,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173729608603675,0.90010847316553,2.1661836336677243,3.936134045679162,5.504619665599171,6.476450107715972,6.968545538401052,7.194506793177649,7.278625353269324,3.32216818742078,0.7078015340204232,0.0233538909575486,11.474288141736054,5.31224350380034,6.955435233602194,1.694627537411795,2.047792816551289,4.482628211545527,0.3866234157345345,5.140780142427565,0.1863488988630715,17.971432397447135,-1.8184413407940552,-4.025221095869087,-0.3866234157345345,-4.911428666670331,-0.0842874921511023,-17.971432397447135,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,9.344194605187337,10.110534400935856,10.85602923590921,11.576545500926368,12.268524539779143,12.92931256129493,13.557215251573933,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_34,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.15903044357503,0.7851091645785281,1.91022827602851,3.539393472625763,5.1031397939348455,6.120063319765292,6.646689321850691,6.890880953075899,6.982149633541955,2.957748141460067,0.6072613295773153,0.010124270512799,8.95911064238932,4.234689389230879,5.352503971834311,1.272750655286037,1.905118557955058,3.94033926666442,0.1366291991413755,2.998152151086063,0.5915980098999217,12.258176772602804,0.5388265665413026,0.9337426923748968,-0.1366291991413755,-0.554207026589702,0.4959575705009589,-12.258176772602804,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,6.736060986903649,7.553207389867185,8.362248685375597,9.157041245775014,9.93253601711048,10.684507470099533,11.40951121792362,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_35,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1018972928932951,0.733880757547423,2.181878072025268,3.9695828135805793,5.404297028573544,6.269147935697966,6.705306679720678,6.905617315117773,6.980218820038644,3.378930149024072,0.5277778464976934,0.0037146163306156,10.74689446485431,5.281153838021337,6.605205736949661,1.738955842578771,0.6191762480611775,1.2636259846122864,0.0279064551182597,0.8424278890072553,0.223208827040487,3.654010342671082,0.3401116968785805,0.64952992837832,-0.0279064551182597,0.1168600559325027,0.2036743084577053,-3.654010342671082,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,7.79411994250694,8.5916204709047,9.373549964424106,10.137347175139016,10.879905281774926,11.598039203553354,12.288888119757477,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_36,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171370005143232,0.9004706063124279,2.171816607551244,3.934689040129778,5.4803354474900585,6.432206764205377,6.912886051440757,7.13335063436783,7.215384783781602,3.325665141325021,0.7076529588753713,0.0233535529244026,11.394227235148044,5.301844413641882,6.906308831978923,1.7043886366839864,1.959646098849252,4.287145080404408,0.3675278447002483,4.899868856451238,0.1829278051749512,17.148787388251225,-1.7156323481532318,-3.8004962567038008,-0.3675278447002483,-4.655855105755219,-0.0743416861152223,-17.148787388251225,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,9.35268020209355,10.119933034476524,10.86647521385244,11.588143721375596,12.281340231418705,12.943368217779796,13.572494094694576,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_37,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1590431404282496,0.7851607353702189,1.9105609426384569,3.5402128498402314,5.104172195683235,6.121115641069847,6.647723006635379,6.891900193208763,6.983162593938708,2.958421100782403,0.6072978093189896,0.0101258018408708,8.962925895653024,4.237111263885329,5.353843551137596,1.2730912174860065,1.9048029392096604,3.939547380483556,0.1364716527199257,2.996576160969066,0.591752959098438,12.253447750446815,0.5400864120104026,0.9364176971221756,-0.1364716527199257,-0.5516868097490037,0.4962228021944901,-12.253447750446815,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,6.728308936042656,7.545123668867283,8.35410246457825,9.14898638245622,9.924657035288538,10.676847908834391,11.402090700151849,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_38,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1018878314615756,0.7338642495295665,2.1819216222787747,3.969735713267841,5.404588823759902,6.269555259500809,6.705781435525374,6.906125008024082,6.980739086782045,3.3790417810684903,0.5277592367753661,0.0037136655991767,10.747427730999366,5.281726855356983,6.6053109736024425,1.7389971079378794,0.6204179453832394,1.2662256900275362,0.0280260721549477,0.8446265226228209,0.2235371004050146,3.662611170015152,0.3401572238337623,0.6494973987003915,-0.0280260721549477,0.1159486465941807,0.2039188498965512,-3.662611170015152,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,7.783203039295246,8.581336261309179,9.3638553677795,10.128200040992564,10.87126573426069,11.589870141668436,12.281155250318427,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_39,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171388863533466,0.9004078076582688,2.171495419049362,3.934154290158895,5.479784740923636,6.43169140730401,6.912396044016749,7.132873401130707,7.214912452959155,3.325175604955901,0.7076161630320008,0.0233584471275508,11.392265886819562,5.300615599983583,6.905495987533651,1.7039293449544597,1.9604243302485576,4.288873102020811,0.3676985082488039,4.902012396238988,0.182954123994101,17.156091816218865,-1.7165607522394803,-3.802523775218407,-0.3676985082488039,-4.658148818229911,-0.0744348317800615,-17.156091816218865,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,9.35399192177442,10.12132520966044,10.867917477009849,11.589609934876483,12.2828071296367,12.944815172037062,13.57390320963756,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_40,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168322619071994,0.8897561658225083,2.081655532964372,3.714013527833429,5.1551312716763125,6.045145306756216,6.494834260702799,6.701095834828784,6.777844028350932,3.148683146878326,0.7024058775731049,0.023389275226336,10.118023360496933,4.802969631840815,6.280599690330296,1.5871255566118372,1.555718741996307,3.3424763265559605,0.2326152544161792,3.416640777325741,0.2561412381580203,12.43089879830512,-0.770433802165486,-1.776343306804362,-0.2326152544161792,-2.63135583749492,0.093310560066695,-12.43089879830512,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,9.384430638051876,10.1690864048836,10.931047962911704,11.665727737317685,12.369453916329324,13.039657875914784,13.674836252783498,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_41,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1043190026705497,0.7315173994640515,2.2189307929666584,4.224022700148398,5.895425790261007,6.901676688170296,7.4053561473396865,7.6355595341550755,7.721099334033337,3.5462609126182967,0.5283576081810519,0.0038525927352515,13.182894245468594,5.781474904998968,8.202229110861081,1.7635154763630154,1.2643284889766817,2.782220585074615,0.2528656977953363,3.2872540713393734,0.0885029942283676,11.378956400790136,-1.2643284889766817,-2.782220585074615,-0.2528656977953363,-3.2872540713393734,-0.0885029942283676,-11.378956400790136,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,7.482553256322634,8.306478654580067,9.110211315147058,9.891481197172808,10.647991731237152,11.377440541611678,12.077733256786674,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_42,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216961916573736,0.891457286576199,2.0911120991530745,3.7300571813033496,5.170530895135755,6.057276494225352,6.5045167990071375,6.709480476558051,6.78571799723167,3.1633347036829145,0.7033569347702749,0.0233989628908646,10.164749080143803,4.849563039128336,6.281726401301023,1.6000187013876848,1.5597765094423914,3.355811664028084,0.2377002962353917,3.4613788793255247,0.2484124912605046,12.552888471919792,-0.8172264529115256,-1.8749069587857528,-0.2377002962353917,-2.718828822794659,0.0820222838957305,-12.552888471919792,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,9.385529041531624,10.16807194928148,10.928460348035031,11.662106494070503,12.365260659120928,13.03525074460149,13.670472372205245,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_43,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1053390710707492,0.7363887275353194,2.233039639046724,4.245992341233365,5.920429407035894,6.927605325553479,7.431591739919092,7.661910173286362,7.747489303901662,3.5661997811384563,0.531974399352775,0.0039199184327079,13.20853448154848,5.871713721273946,8.178794368132142,1.7907776108114968,1.2325285678420554,2.712243205021971,0.2465057135684111,3.2045742763893443,0.0862769997489438,11.0927571105785,-1.2325285678420554,-2.712243205021971,-0.2465057135684111,-3.2045742763893443,-0.0862769997489438,-11.0927571105785,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,7.463534726238221,8.281154427317883,9.079771555848383,9.856883704001271,10.610044608563747,11.336846524944894,12.035111124017254,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_44,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169933795032471,0.891519949729406,2.091260869332498,3.730152958097067,5.170320439212237,6.056758357209214,6.503811536016836,6.708682668522648,6.7848847067212015,3.1634826980560526,0.7034094883400862,0.0234076897961788,10.16497538596282,4.849354938146468,6.281982554065782,1.6001663554099532,1.561932622114666,3.3605372060900587,0.238112997134533,3.46683659919093,0.2485981472137766,12.571923053263989,-0.8191973492306649,-1.879263114613852,-0.238112997134533,-2.724101326306929,0.0819190492196037,-12.571923053263989,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,9.381958630727125,10.165004818967825,10.925825223536364,11.659839728286528,12.36330620763649,13.033559876394296,13.669003146493797,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_45,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1053325303356209,0.7363906690881358,2.2330467271327854,4.246037009982463,5.920571208758673,6.927816879333316,7.431837113520118,7.662170296794416,7.747754763530203,3.5662207895393268,0.5319716459054129,0.0039193140362416,13.209385247777762,5.871701479266109,8.179595684284534,1.7907959254838357,1.2337903820503533,2.7150198928016693,0.2467580764100707,3.207854993330919,0.0863653267435246,11.10411343845318,-1.2337903820503533,-2.7150198928016693,-0.2467580764100707,-3.207854993330919,-0.0863653267435246,-11.10411343845318,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,7.462961370714261,8.280645973271618,9.079316890063296,9.85647343633442,10.609671082946525,11.336503553867312,12.034793681113136,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_46,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167717344393507,0.8895887308524242,2.081098410639777,3.713060734794999,5.154218708148649,6.044430255553148,6.494263936696308,6.70060132878296,6.777379199974346,3.147816742924069,0.7022726735401844,0.0233783202176737,10.114158094802464,4.80082889161031,6.278913766581274,1.5863748597267266,1.5569199621723608,3.345050233959766,0.2327881469639653,3.419225137884084,0.2563516076092655,12.440362750141109,-0.7709615074672921,-1.7775739898187124,-0.2327881469639653,-2.6332666831790146,0.09339990473449,-12.440362750141109,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0466,9.383151135092078,10.168229224071895,10.930545698298204,11.66552792094913,12.369512245089128,13.039935070954805,13.675296773392878,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
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RSM0466_48,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671898756887082,0.3927323247393982,1.3954219149666849,3.165908686086316,4.903280322505242,6.036135842601788,6.6235861195775785,6.896187075053079,6.998109514876813,2.523707128738662,0.2832015642078048,0.0044528210204885,8.94444712091567,2.825804392105118,5.53713000242658,0.5808647902796772,4.076545404405141,8.63501220968169,0.433000555593775,5.183735723263667,0.7177977586976976,17.08318724577736,-0.9341265698829094,-1.9268907236270831,-0.1187586721415518,-5.183735723263667,-0.7177977586976976,-2.22838572495908,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,14.065357487016884,14.917878151968578,15.682498099422125,16.37026332896743,16.9904891040797,17.55106683073497,18.05873454110485,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_49,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0711147791445673,0.3941041200158021,1.3831812201023288,3.1192226521880584,4.781120614897334,5.846054937622341,6.393793332239784,6.647079432557021,6.741646768918177,2.494252362641244,0.2865302919794625,0.0050626269944779,8.675435117794654,2.8005339728942773,5.321734083000265,0.5404305241056139,4.169833570953567,8.81173078222727,0.4263780230717615,5.324829630122581,0.7838897520159053,17.690728479200725,-1.1617960704134642,-2.390473129824315,-0.1255742730177511,-5.324829630122581,-0.7838897520159053,-1.6276018839322144,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,14.680708757051889,15.451625979860715,16.14245779045591,16.76422773188437,17.326009483989417,17.83526913413122,18.298193170661527,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_50,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671849622417537,0.3929701160174588,1.3961528612882608,3.166801208502063,4.904022429765213,6.03671085780245,6.624061669474472,6.8966141460254144,6.998518120407466,2.5245971374776164,0.2833497715121918,0.0044497957493266,8.949449874182807,2.828091630116341,5.539451839155263,0.5812624719261361,4.075284864346656,8.632161535594955,0.4326579307841188,5.179068384951751,0.7177989000501177,17.075952425798285,-0.9319782967895136,-1.922145005830724,-0.1183272740284045,-5.179068384951751,-0.7177989000501177,-2.20852974264004,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,14.170865945535253,15.005739797803946,15.755635904431434,16.43104557077933,17.04084264283377,17.592566734327924,18.09267473746462,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_51,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0711504879038653,0.3940407212715777,1.3829265422150328,3.119196815167752,4.78138987832886,5.846489919726872,6.394304209817663,6.647623270266277,6.742202572794684,2.494118013230939,0.2865168115097388,0.0050684505253604,8.678552876446597,2.8007613144052343,5.323351315153047,0.5399754513354188,4.1671880709949125,8.806218583107295,0.4262360973897972,5.324665713623625,0.7834150651837802,17.68256476388903,-1.1639732223420256,-2.3952558456879767,-0.1259146125245084,-5.324665713623625,-0.7834150651837802,-1.642710083111662,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,14.725785459465,15.494165170923198,16.18260919120234,16.802169062970922,17.361924519609822,17.86933641101133,18.330580494947608,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_52,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0735684591978036,0.3888298402204089,1.3466557108790695,3.081723501939865,4.806051719620516,5.935291882027582,6.521707725228761,6.7939681986882015,6.895782654426752,2.448502813783963,0.2851537637243553,0.0054767954971206,8.631367151872706,2.6407105982525283,5.352743328107511,0.5075485162808179,3.9850960242410816,8.437940252754622,0.4207769799990808,5.078550609143711,0.7101643685081428,16.743614364079388,-0.9547476841210562,-1.9690556511004007,-0.1177421459870782,-5.078550609143711,-0.7101643685081428,-2.10455504543618,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,14.901554618119606,15.63819082928641,16.296923297795626,16.889352414312736,17.424798221799445,17.91075666153953,18.353304158820013,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_53,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0649227262212849,0.3978930630355676,1.4398777486126124,3.237126686550033,4.937037797998902,6.020116767582546,6.575775172696308,6.832441232485515,6.9282274327647215,2.593503918148329,0.284585592415058,0.0040822258493659,9.212854047247593,3.112896153221981,5.566241094966522,0.6145786130064396,4.0653309616934,8.584083649653394,0.4119688690096492,5.281288259074182,0.7856688808937702,17.414943691892024,-1.2922727554315174,-2.664436296746153,-0.1346630483834609,-5.281288259074182,-0.7856688808937702,-1.7171734168668322,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,13.68219112867934,14.560851782339364,15.351594027177676,16.064033786881748,16.706696462831673,17.287117588073105,17.81196235177194,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_54,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0735363273290604,0.3886221265924948,1.3459026036210229,3.080411762261232,4.80444284260709,5.933569324927484,6.519945053245841,6.792190715819399,6.894000215551163,2.4473536413079904,0.2850136728930558,0.0054726716631437,8.626334726798198,2.6374198909823634,5.3514072243041015,0.506847720061028,3.984028086172256,8.435743786119899,0.4207395533428128,5.0783122984813005,0.7098955486205755,16.739855330654436,-0.9551851335943112,-1.9700727352517613,-0.1178552580850184,-5.0783122984813005,-0.7098955486205755,-2.1109630693196584,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,14.974071886052949,15.70698504712216,16.362377741061376,16.95183679142013,17.48465336674436,17.96828889670783,18.408784721333355,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_55,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0649002972967507,0.3980396857144762,1.440638917014504,3.23811380643074,4.938002459073336,6.021071058989132,6.576733644320832,6.833404243890858,6.92919257948473,2.594468546449004,0.2846462711383962,0.0040787211367076,9.210608745031667,3.1141463870207686,5.564931051142896,0.6159162815598967,4.065837282275615,8.585054724232299,0.4117411031041001,5.272074667825413,0.7853682552856451,17.40641839638187,-1.2822486965649438,-2.642928170315729,-0.133382244533033,-5.272074667825413,-0.7853682552856451,-1.6728987709177918,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,13.733899923496915,14.614843008584836,15.40724810683716,16.120926151325655,16.764532026579563,17.345687646213328,17.871116392572485,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_56,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0736781326828324,0.3889262591286667,1.3447840608653516,3.0772955373103503,4.800507228608756,5.929481249522175,6.515860994606975,6.7881244118300845,6.889942915477485,2.444797406415636,0.2853434274743847,0.0054916880098943,8.608791829047435,2.628743582501338,5.347064412894744,0.5073095569682728,3.9988616338795664,8.46748135822296,0.422218728982829,5.079639992951277,0.7106654191834983,16.778548107490543,-0.9362330034916716,-1.92968802093392,-0.1159558659440394,-5.079639992951277,-0.7106654191834983,-2.057562714949848,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,14.8770758519194,15.615117794632283,16.27464411796572,16.867476057727856,17.403080552042553,17.889051687061055,18.331531033162232,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_57,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0648064574869468,0.3981318143663979,1.440070195090486,3.235276623604065,4.933590908494961,6.0159938797003045,6.571402362417964,6.827973576521631,6.923727586289967,2.5924036791099208,0.2846675362823671,0.004063498553877,9.18750051000092,3.1043673673888303,5.5580790303494965,0.6176698173582982,4.068127715884895,8.589651450205318,0.4112656607815185,5.249662257099891,0.7847571030356149,17.38861153637246,-1.2566733891686936,-2.588039898964245,-0.1301202281098983,-5.249662257099891,-0.7847571030356149,-1.559894574827125,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,13.68609109033966,14.567173969521324,15.359786505153616,16.073713740600255,16.7175894704669,17.299019998730717,17.824717993740613,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_58,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0736874166071239,0.3891583441111781,1.3457364648967454,3.078894677604778,4.802412903500697,5.931496551702241,6.517913424675379,6.790190205624592,6.892013121882113,2.446217923999821,0.2854821474808582,0.0054919902287225,8.61462380023368,2.6327095039750508,5.34915733771944,0.5085098220342874,3.9979725283171432,8.46551135310972,0.4219983488798288,5.075763787321349,0.7105352767526291,16.77238889673752,-0.9337118189379108,-1.924234016797873,-0.1155722779419056,-5.075763787321349,-0.7105352767526291,-2.0425830420231854,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,14.877608193349468,15.618789367431678,16.28125438088964,16.87677864560355,17.414819580706176,17.90298043853829,18.34742080298014,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_59,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0648161888606155,0.3979650411952353,1.4393358572753834,3.2342308262999167,4.932418369258205,6.014732896424249,6.570087940695889,6.826632355827735,6.922376011777422,2.591426128304562,0.2845823418767478,0.0040655362031124,9.18926742543419,3.1031458715758027,5.55890178734077,0.6162525063805777,4.067877783052344,8.589245381584885,0.4115678378092894,5.260655317548148,0.7851442539631351,17.399717680091804,-1.26819089241433,-2.6127537761399173,-0.131599148745488,-5.260655317548148,-0.7851442539631351,-1.6111268493254054,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,13.691459591111007,14.572957621735933,15.36614946347146,16.08070707051871,16.725198998378808,17.30719709544431,17.83339864241185,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_60,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0672757271425088,0.3930128882379556,1.3950436086595726,3.1645562493157184,4.901505951051081,6.034236379400767,6.621650594486024,6.894239994888831,6.9961588650935385,2.5226252372924645,0.2834654344873121,0.0044620650054985,8.93984466100459,2.824375613702453,5.535451802300522,0.5812085037580649,4.082517612097805,8.64771741870885,0.4336632435805739,5.190527488730286,0.7186720296471522,17.10677355967207,-0.93412284941499,-1.926839118809846,-0.1188237673122924,-5.190527488730286,-0.7186720296471522,-2.2302718215782544,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,14.080068186899997,14.931859811006223,15.695592646000811,16.38241926896336,17.00172139252534,17.561429199662975,18.06830094273294,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_61,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0710640386809553,0.3940023875987406,1.3811944364968691,3.115274389805488,4.776949046854308,5.842251659063206,6.390290696717758,6.643737412532,6.738367964478887,2.4907519865543475,0.2865069107755432,0.0050524704711944,8.667745775669367,2.791864878312797,5.322209328531288,0.5379576431880096,4.194053790499626,8.86375087744143,0.429263734750448,5.342283623665568,0.7856549087048349,17.770036889725436,-1.1462137307161024,-2.3575267018215387,-0.1244797287720955,-5.342283623665568,-0.7856549087048349,-1.6109843335635927,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,14.639867221880476,15.41839819434894,16.115699442383562,16.742992179006297,17.309509629353293,17.822847790157226,18.28929944573901,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_62,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0672412792277848,0.3931484132221967,1.3955474460436916,3.1651481686232468,4.901943642013004,6.034515529616918,6.62183570591751,6.894379197629238,6.996280561737645,2.523228369259516,0.2835320096928377,0.004455388709678,8.944250974102463,2.8261681402911965,5.537385230937982,0.5813547385517,4.082389793770346,8.647301326890892,0.4335134595760817,5.189473158553096,0.7189287878956583,17.106514932295465,-0.9343573780024744,-1.9271965289512176,-0.1187102179992945,-5.189473158553096,-0.7189287878956583,-2.2213137828427056,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,14.144212271218851,14.98478826925826,15.73937885824419,16.418684819582083,17.031747384108137,17.586237385819786,18.088713358553427,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_63,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0711133117462489,0.3939517737942031,1.3809488823030762,3.11536536849434,4.777433850837686,5.842950004672742,6.391085064644495,6.64457311337288,6.739218613919268,2.4906920336387284,0.2865106703199105,0.0050603285641971,8.670894338185134,2.792494868005564,5.32350937871019,0.5374720200780625,4.193479212303859,8.862685613083746,0.4293914861270889,5.344787512217927,0.7854078332352064,17.770043036775593,-1.148381093500335,-2.3623146588738644,-0.1248816742467365,-5.344787512217927,-0.7854078332352064,-1.6295175763082952,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,14.690574833881014,15.458998219269212,16.147535826357746,16.76721412853885,17.327099433906003,17.834645466566243,18.2960241367593,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_64,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0060896686860286,0.160684293976491,0.9958660815961836,2.830875788706339,4.775564877369102,6.073044965058768,6.750823665393984,7.066177572893665,7.184202593710274,2.138459376629258,0.0939315820492809,2.040607400427728e-05,8.423616925636386,2.374902679344475,4.967366181656127,0.2482908257638666,7.110800601908557,15.173430071473806,0.7910662204118664,6.335473597882014,0.8238583879869338,25.608603535292723,2.361008421186745,5.046040650127732,0.1561146818976637,-6.335473597882014,-0.8238583879869338,3.385299687295628,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,16.55533343732546,17.433761873917103,18.161626836116792,18.767773685019783,19.27562485924747,19.703897382571324,20.067453220996825,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_65,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0060841408400641,0.1607107352788445,0.9966787277538018,2.832973014639548,4.778446501770143,6.07626398452901,6.754178767619417,7.069588319586361,7.187633024263755,2.140154645860185,0.0939233642550132,2.036769734705619e-05,8.433558016842758,2.3783280740425723,4.9726013513266,0.2486347648685053,7.105526915811503,15.162110706180249,0.7903444864642684,6.3267485659871046,0.8231451002699646,25.58548664090356,2.363185406239891,5.050749487702868,0.1565267457408711,-6.3267485659871046,-0.8231451002699646,3.4018657155846537,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,16.334986445276776,17.20683145115135,17.92933737567612,18.53109005797007,19.03530896029955,19.46055401742785,19.821565859220367,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_66,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0060307725710535,0.1602237177082209,0.9963003745978516,2.833171146756813,4.779203829043447,6.077455685515487,6.755622184749853,7.071154652864041,7.189246291056469,2.140156581118213,0.0935391733676336,2.002791279680804e-05,8.436828395785763,2.3784564289602743,4.973008046596979,0.2475519941368703,7.088657129436461,15.12625054002757,0.7886084293377339,6.313145767212322,0.8209632427619024,25.52515533148589,2.3571812664648863,5.037780683703038,0.1559754102524009,-6.313145767212322,-0.8209632427619024,3.382999663499239,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,16.671320186439395,17.54975692885878,18.27677583594379,18.881679457474632,19.388139512426275,19.815006351838605,20.17721056894689,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0466_67,RSM0466.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0060527969628249,0.1604034309777639,0.9961534345752344,2.832119549753686,4.77745979766705,6.075357315411309,6.753364100986548,7.068827315655945,7.186893802138377,2.139414701841305,0.0936877640906605,2.0175715975087105e-05,8.429884840903478,2.3766786312883674,4.969235916680788,0.2476354125338431,7.092654607769027,15.1348415310596,0.7891293226993684,6.31802545104203,0.8213690626383864,25.54054380519441,2.3575637099935665,5.038539511868202,0.1558925090768908,-6.31802545104203,-0.8213690626383864,3.377255328407697,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0466,16.358148882261098,17.234572419525986,17.960468615546446,18.564776134248827,19.07095387987601,19.49772571591457,19.85994596257413,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ni], [O], topology "
RSM0112_0,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0165660802643178,0.3833533679215246,1.6825342086480228,3.69396414954998,5.593932939722512,6.8342781573882965,7.480983865421733,7.782092249961638,7.8948479622015455,2.982060549936516,0.2350282170533957,7.182211857353012e-05,9.81731583994417,4.659547890460028,5.1551507460730965,0.853888368386118,5.000000000000001,10.9821386,1.0,3.0,1.83,55.00000000000001,-5.000000000000001,-10.9821386,-1.0,3.0,1.83,-55.00000000000001,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,RSM0112,16.767641824008855,17.617194368139618,18.33259229173641,18.938911951384902,19.45593695501794,19.89939023077068,20.28185429842569,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_1,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0165614866727889,0.3832971691474172,1.6824350404907908,3.6938526336307183,5.5937331298198565,6.83397433983636,7.480613017354375,7.78168747205978,7.894430054902865,2.981959725532598,0.2349878521475906,7.179360250108725e-05,9.81676111798305,4.659228850420739,5.154816334764544,0.8537797028148505,5.000000000000001,10.9821386,1.0,3.0000000000000004,1.83,55.00000000000001,-5.000000000000001,-10.9821386,-1.0,3.0000000000000004,1.83,-55.00000000000001,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,RSM0112,16.770690143955196,17.619848905496628,18.334915967528183,18.94095724354745,19.45774720841644,19.901001124029985,20.283295210579634,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_2,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407757049935951,0.4876658632520632,1.3315595128876303,2.755462033292954,4.1375468821043775,5.037097413095048,5.50367592165798,5.720263591682696,5.801258782129163,2.242108113706661,0.38536249770808,0.0201611858359961,8.06762847907281,2.1177239613489096,5.140360942883357,0.1803507083624009,6.369529789921178,13.734081736529305,1.0,14.369529789921176,0.959440756514924,38.15235105039411,6.369529789921178,13.734081736529305,1.0,14.369529789921176,0.959440756514924,38.15235105039411,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,5.0,11.00276,1.0,13.0,0.3499999999999996,35.0,RSM0112,3.2645935492381297,3.940593320990051,4.634808520141255,5.330924810590854,6.016273024898655,6.68178564226345,7.321558948386415,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_3,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407561230981474,0.487650950915966,1.331518539823097,2.7553278112473456,4.1373937724001575,5.036967270202257,5.50356594355252,5.720164559514648,5.80116407811536,2.2420007483077944,0.3853436065593252,0.0201554970783727,8.06674111303653,2.117404649353426,5.139946793260507,0.1803810794554569,6.369419568713459,13.733861916863685,1.0,14.36941956871346,0.9593917080774887,38.15290215643271,6.369419568713459,13.733861916863685,1.0,14.36941956871346,0.9593917080774887,38.15290215643271,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,5.0,11.00276,1.0,13.0,0.3499999999999996,35.0,RSM0112,3.2650628420647347,3.941006390102293,4.63516962104349,5.331239508963199,6.016547129810229,6.682024658356699,7.32176783201752,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_4,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407793798627187,0.4876736822780379,1.3315678853217747,2.755473064346286,4.137580580429166,5.037154791150611,5.503747708929875,5.720342485625254,5.801340396385158,2.242115878247505,0.3853692010216641,0.0201622148368849,8.067629485737344,2.1177274319207444,5.140408796366979,0.1803769520636464,6.369561539964847,13.734145057228892,1.0,14.369561539964844,0.9594548852843564,38.15219230017577,6.369561539964847,13.734145057228892,1.0,14.369561539964844,0.9594548852843564,38.15219230017577,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,5.0,11.00276,1.0,13.0,0.3499999999999996,35.0,RSM0112,3.264593254912537,3.9405924955451934,4.634808382605472,5.330926118339352,6.01627615980466,6.6817907127433696,7.321565882464028,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_5,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407788052360837,0.4876730577107018,1.3315031439684872,2.755265322703722,4.137284471251539,5.036823910998966,5.503403784020657,5.719993424310852,5.8009895473539865,2.241954558623093,0.3853695199168989,0.0201620226467481,8.066545630811625,2.1172892389041102,5.139824459932676,0.1803513726389788,6.369382343342724,13.733787676445564,1.0,14.369382343342725,0.9593751427875128,38.153088283286365,6.369382343342724,13.733787676445564,1.0,14.369382343342725,0.9593751427875128,38.153088283286365,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,5.0,11.00276,1.0,13.0,0.3499999999999996,35.0,RSM0112,3.2650274833069965,3.9409654026233385,4.635124105310058,5.3311906186130535,6.016495947138273,6.681972133007948,7.321714759200499,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_6,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0996301387210929,0.7042554481745262,2.112323056586066,4.06558111585294,5.793609729404239,6.880918929503404,7.43810306863445,7.695562475830424,7.791672161759939,3.392146506818944,0.5092292301661651,0.0036050987049259,11.824670279782817,5.349483212158992,7.193929221627984,1.5915092922145946,0.65580738696415,1.3671142726368652,0.0574240894316375,1.11520010241725,0.1841641195147263,4.427518723453501,0.0815664926477748,0.103467324167177,-0.0574240894316375,-0.3778262228053253,0.1439672569125801,-4.427518723453501,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,7.747822703416698,8.544249819601522,9.327837452520974,10.095293505549556,10.842579712641022,11.565688675080834,12.261150041056124,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_7,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0931259276151966,0.687195774473665,2.1138624030001845,4.086542208634837,5.793598177700862,6.85008079693287,7.386856007656853,7.633915769654428,7.725992601208509,3.411141161037328,0.493296458892658,0.0030763171570954,11.639385480569382,5.463375193196762,7.025211528237435,1.5790369964257556,0.6542841605366657,1.333040194692007,0.0273213442408006,0.8728549144630707,0.2399289309873151,3.817847687499341,0.3810707181286596,0.7318198075741842,-0.0273213442408006,0.1624999642022546,0.2208039900187546,-3.817847687499341,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,7.363525385963825,8.248588840021744,9.11798207972428,9.964620904491747,10.782487601435353,11.566827463490528,12.314225005129028,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_8,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2137431616906928,0.8875132657628899,2.1338795273670805,3.883815042849599,5.467360016697061,6.468551005194318,6.981616336708209,7.21858404648334,7.307020867549968,3.273485075683972,0.6975707619346633,0.0230593722857655,10.469070529019868,5.297209327112713,6.070102828887379,1.6341901618346082,1.7092288103631483,3.691345297761411,0.2740466337025496,3.9016018799835455,0.2467693824193205,14.027076725866737,-1.0312375266623472,-2.3391933811127186,-0.2740466337025496,-3.2236105962827444,0.054936738827536,-14.027076725866737,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,9.176216368005914,10.029323111090054,10.8413956134975,11.61163255832974,12.339759398419458,13.025986102417342,13.670973739940056,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_9,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.160663775844397,0.7844480980883141,1.9101672644035763,3.673889503276476,5.490840915273379,6.712832152974028,7.354581987281046,7.653886864670588,7.76601432226347,3.025445821093097,0.6082014610208795,0.0104082433895576,9.992938269562211,4.475739762265451,5.892249672017035,1.2583972659555962,1.6444391566625638,3.344698329530873,0.0631527312449824,2.149661006622423,0.6133640536304988,9.485250408212467,1.0129118442127396,1.954989639064788,-0.0631527312449824,0.5076899942528807,0.5691571417590112,-9.485250408212467,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,6.59966166351658,7.397361710609178,8.18621135993749,8.960854894312465,9.716941767985372,10.450803118286409,11.159383578440757,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_10,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1684425441359603,0.8011873654598313,1.8564567394827256,3.29972202912248,4.749203398242023,5.744977078197499,6.277129460078004,6.527582624119858,6.621782119946252,2.7819798963053737,0.6241735093149674,0.0114147278515357,6.985334787363508,4.076268219800261,3.9635123717812704,1.1672828369794048,1.8695932520545704,3.8289925972953816,0.0973504573770861,2.64839691107126,0.6494368895822473,11.294975407814574,0.8960886782837085,1.686745160474764,-0.0973504573770861,0.1172850192670191,0.581291569418287,-11.294975407814574,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,7.714639183099522,8.504501833541761,9.27302823328322,10.018403704278732,10.739289898017915,11.434367372408676,12.102320888292995,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_11,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0996069022343866,0.7042054113599777,2.1123175705215287,4.065655520202114,5.793733810568285,6.881055851413961,7.438240399370783,7.69569856098079,7.791807549591978,3.3921944698615705,0.5091794653877384,0.0036033504092524,11.824643269156562,5.3497289670889945,7.193510858835861,1.5914941222552583,0.6561577555912629,1.367871118229862,0.0574804302251453,1.116001197392426,0.1842143945659644,4.430397382459222,0.0813534533398091,0.1029843613018211,-0.0574804302251453,-0.3784899884613539,0.1439780934083626,-4.430397382459222,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,7.748945297089082,8.54523066930023,9.32870353180476,10.09606747399888,10.843279659826324,11.566328623642791,12.261740683758251,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_12,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0931049347705834,0.6871099233168939,2.1136708605465166,4.08629067883727,5.793336325781924,6.849815549691453,7.386587946907248,7.6336460105019315,7.725722134808459,3.4109012592447225,0.4932287221215702,0.003074975311455,11.63826404907852,5.4626031068915255,7.024830779068883,1.5787628639314546,0.6542170880474294,1.3328880603854,0.0273035284216537,0.872645315420659,0.2399324883905054,3.8171560086702216,0.3811818038308924,0.7320597196321311,-0.0273035284216537,0.1627535764576628,0.2208200184953479,-3.8171560086702216,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,7.365171931973395,8.250026159444817,9.119252991912594,9.96575881804224,10.783518127463962,11.567770046510526,12.31509436514473,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_13,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2137166998737948,0.8874610656889516,2.1337645393581908,3.883624327704694,5.467130233141386,6.468304857624834,6.9813632139114565,7.218327922112464,7.306763652041997,3.273316224216127,0.6975251282621713,0.0230530614446758,10.468269245471015,5.296550827576285,6.069822277695734,1.634023705569222,1.709283232718678,3.691462178428416,0.2740547261965643,3.901721042291192,0.2467784269412536,14.027510687524682,-1.031264029246965,-2.3392545799846047,-0.2740547261965643,-3.22370183881948,0.0549401186036588,-14.027510687524682,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,9.17783080580918,10.030653167870277,10.842481723738574,11.612513178973058,12.340468864763317,13.026554033488226,13.671425172858113,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_14,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1607166394826613,0.7845454655145037,1.9102939176472264,3.6741558168357984,5.491275531933989,6.713369791324648,7.355168824028653,7.654495412678941,7.766630798626987,3.0256533553892475,0.6082940723166028,0.0104161725419672,9.993854447891598,4.47657483929522,5.892363641125493,1.2586187407166904,1.6441648433261424,3.344043429106516,0.063048150666845,2.1485500486609026,0.6134380727797989,9.481787229967612,1.0136833366576916,1.9566360886442435,-0.063048150666845,0.5092981313229311,0.5693043673130075,-9.481787229967612,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,6.600306432167904,7.397950098567152,8.186775229482672,8.961414997336554,9.71751030197922,10.451386058283989,11.159982632502588,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_15,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1684514272304896,0.8011736948157876,1.8562829601972528,3.29923200025491,4.748380607132805,5.74393351653615,6.275971700088035,6.526372077398188,6.620551879387402,2.781608142055948,0.6241725025584195,0.011416689935805,6.98285561487072,4.075279286444287,3.962099562411813,1.1671368737768872,1.8697800364431845,3.8294006478819984,0.0973849256569139,2.648859441698496,0.6494553806105033,11.2965986953542,0.8959307798740445,1.6863947186402657,-0.0973849256569139,0.1168513746187328,0.5812859326506636,-11.2965986953542,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,7.717524548315596,8.506641807046234,9.274595244907854,10.01952919236645,10.740075292787887,11.434891334941074,12.102644496746414,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_16,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0996187101186979,0.7042263831955821,2.112301773748691,4.065614286939033,5.793723271355196,6.881091381932185,7.438306928999836,7.695781001893392,7.791896179042262,3.392155592986393,0.5092024771565934,0.0036041607447727,11.824993216632386,5.349516939939501,7.194127083160565,1.5914778577277888,0.6557633253460794,1.3670167479351252,0.057414729276313,1.1150811595565844,0.1841620623859183,4.427111212256659,0.0816160325829485,0.1035757745506318,-0.057414729276313,-0.3777018016275562,0.1439717518924992,-4.427111212256659,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,7.748183140495351,8.544561906932405,9.328109674057124,10.095532595915982,10.84279107971815,11.565876696478671,12.261318281817228,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_17,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0931146155266775,0.6871616228093487,2.11384588526914,4.086590259316802,5.793713880326308,6.850238791299363,7.387035015513205,7.634104292488423,7.726184641924274,3.4111644387374955,0.4932653933338835,0.003075696472778,11.63977738999231,5.463448063466,7.025418711089736,1.5790168896743997,0.6543054827125574,1.3330768898751133,0.0273156908539438,0.8728310095441081,0.2399490194559434,3.817841230641664,0.3811485741731192,0.7319809084748355,-0.0273156908539438,0.1626230473415685,0.2208280358581827,-3.817841230641664,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,7.363752257160408,8.248766304320446,9.11812319755444,9.964734955267287,10.78258124090646,11.566905509559366,12.314290978919612,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_18,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2137424188178521,0.8875084615613921,2.133857417765273,3.883771739403809,5.467307819595926,6.468497613594541,6.981563552252358,7.218531810690028,7.306968879220978,3.273447756149912,0.6975673279887766,0.0230598555911299,10.469001881807776,5.297073373685129,6.070122643081152,1.6341676180765117,1.7093219251784828,3.69154542383412,0.2740606224521705,3.9018069047958472,0.246784589606605,14.027822074935823,-1.0312842993432223,-2.339301084749568,-0.2740606224521705,-3.2237692789605865,0.0549421538900858,-14.027822074935823,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,9.176177529717412,10.029279934245263,10.841348274869526,11.611581681486904,12.339705811377645,13.025930674573162,13.670917285688942,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_19,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1606846824137812,0.7844818696359119,1.910209240184628,3.673975541580099,5.490975494929341,6.712997349343089,7.354762561026796,7.654074453506106,7.766204514305652,3.0255142909296744,0.608234804688603,0.0104115509827884,9.993325491851644,4.47600132186488,5.892395054407936,1.258476927299937,1.644456592985875,3.344735736350009,0.0631552847485765,2.1496988709744875,0.6133670249751333,9.48538865990091,1.012903745500109,1.954970854709512,-0.0631552847485765,0.5076614675114964,0.5691583256511298,-9.48538865990091,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,6.599663952122949,7.39736322395628,8.18621122490569,8.96085294228506,9.716938192252538,10.45079826401488,11.159377823446803,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_20,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1684745912553767,0.8012333746374655,1.856478084198372,3.2997652320734834,4.749325920163827,5.745169388024107,6.277361776931094,6.527834223099117,6.622041034084229,2.7820063416299377,0.624221014158235,0.0114202060041759,6.9855327849926,4.076423553820088,3.9635251170481633,1.1673003775413082,1.8696481614975409,3.829108222957264,0.0973563904080875,2.648499284762242,0.6494501998512417,11.29536861564946,0.8960842574166658,1.6867302267042843,-0.0973563904080875,0.1172331341519651,0.5813007265655805,-11.29536861564946,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,7.715480886706621,8.505156733262304,9.27354499933096,10.018817018084386,10.739624953829836,11.434642710623596,12.1025502753857,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_21,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0996096062391215,0.7042151900106388,2.112320445305192,4.065625787546742,5.793646882492666,6.880923203561906,7.438082431859486,7.695528573606192,7.791633030993887,3.39218002938744,0.5091887331726714,0.0036032574436892,11.82440666023502,5.349692624144832,7.193350141362539,1.5915044933988658,0.6562188119204959,1.3680052929687427,0.0574924641032595,1.1161585247465722,0.1842190011110091,4.43094334166767,0.0812941708879008,0.1028537242951832,-0.0574924641032595,-0.3786455419381754,0.1439742762387275,-4.43094334166767,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,7.748617238593969,8.544925818895553,9.328417008313243,10.095796275950336,10.843021962314053,11.566083301578043,12.261507003922391,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_22,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0931099909837644,0.6871237656477361,2.1136836083792296,4.086271038956987,5.793266075919469,6.849708336216457,7.38646112222958,7.633510051866318,7.725582759971174,3.4108965744743283,0.4932411103098763,0.0030753487287536,11.638142565190089,5.462574282713463,7.02478164460687,1.5787761548550818,0.6543154021329437,1.3331082839995922,0.0273269529449334,0.8729310256924115,0.2399323171774097,3.818116069563388,0.381045872683609,0.7317644744308,-0.0273269529449334,0.1624302491241413,0.2208034501159563,-3.818116069563388,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,7.364969484541565,8.249856756730109,9.119105712433209,9.965626376533187,10.783395727942947,11.567654590868989,12.314983901597396,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_23,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2137298870042206,0.8874638627335886,2.133745942707157,3.883575463057661,5.467047343724965,6.468197460310313,6.981242432081153,7.2182007758944415,7.306634101448393,3.2732787566973323,0.6975316735102917,0.0230587574815912,10.46793840967316,5.296491521484471,6.069598995386481,1.6340082925007102,1.7093298866470694,3.6915649118025615,0.2740641238862659,3.901842877737197,0.2467815672711973,14.027931910960666,-1.0313113522155894,-2.3393586476591404,-0.2740641238862659,-3.2238243433057168,0.0549366805508113,-14.027931910960666,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,9.177892770454958,10.030706624257451,10.842529699519766,11.612557979291946,12.340512133449328,13.026596860143783,13.671468213319486,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_24,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1606749540301942,0.784477730206903,1.910244019944768,3.674119384570788,5.4912396541588135,6.7133306388260525,7.355127137392399,7.654452380901449,7.766587237948577,3.0256141789462547,0.6082269124023976,0.0104095682235887,9.99377573242517,4.476371437197771,5.892401072915286,1.2585248235507256,1.6440679852929156,3.343817023791761,0.0630159138348171,2.1481952959714525,0.6134554150150652,9.48065820316092,1.013908846944744,1.9571190715814155,-0.0630159138348171,0.5097815362662068,0.5693442753306933,-9.48065820316092,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,6.600294704596204,7.397920601978218,8.186731936968954,8.961360981113698,9.717448052511074,10.451317645273654,11.159909788299071,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_25,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1684632038396174,0.8011965277247246,1.8563042093595024,3.299196197134083,4.74824066293227,5.743711229365216,6.275703911460773,6.526082682692032,6.620254336663285,2.781600337430021,0.6241938573130095,0.0114184715240552,6.982524966238787,4.075261432865954,3.961912336333812,1.1671675993186543,1.86974310913978,3.8293208152922062,0.0973789251115773,2.648774510032398,0.6494501989829943,11.296294047930443,0.8959538580240054,1.6864469311708878,-0.0973789251115773,0.1169224571313863,0.5812849514048901,-11.296294047930443,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0112,7.716923520522957,8.506174318953628,9.274226171214806,10.01923363420086,10.739835250330325,11.43469361692776,12.102479340787813,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_26,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0702544108199822,0.3943806099690344,1.4143521074528755,3.34075286229366,5.305392210368776,6.60779937110123,7.287862685292596,7.604360981934151,7.722835501826211,2.6297358564100173,0.2864571146241862,0.0048904357182374,10.019020262145393,3.133177948279404,6.152424898773903,0.5668493139711366,1.6389135702557052,3.4231887551099494,0.1518768488027667,1.900999067003896,0.5855809827223449,11.053355732300355,-0.6859842765817618,-1.330148439284479,0.0387090099320219,-1.900999067003896,-0.5855809827223449,7.092481371824291,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0112,14.15973576200587,14.964740537922642,15.684214342560349,16.330339219701244,16.913039541290672,17.44042082805517,17.919160722670526,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_27,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0705889131199707,0.4004699993246152,1.440894077723059,3.3143306350913626,5.150264884287484,6.3447039381561146,6.963701910907326,7.250909923295557,7.3582925149606035,2.634185430591614,0.2895741181197136,0.0049420996578649,9.578074761839789,3.1603894579400214,5.757109463992171,0.5943729540621763,2.586086886460296,5.478498400843895,0.3131491659042246,4.158316056503224,0.7017326736686587,15.729326903874082,-1.6531227292694264,-3.4293100642234324,-0.1265563344660508,-4.158316056503224,-0.7017326736686587,0.3396343909144405,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0112,13.842005600089156,14.68407970967223,15.43533601464131,16.108692623119246,16.714763111299675,17.26226100245809,17.758383333738873,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_28,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0717280940216973,0.3416613865053594,0.9832316994812692,2.2435149669835983,3.6609064299750753,4.6488182353949,5.17585864580267,5.42336618903315,5.516353218176926,1.7605297272602436,0.260987786428458,0.005295901275994,5.955332170617214,1.2587437392749248,3.8976303517661495,0.0907608710289997,2.7250628262478447,5.746188864911576,0.3020919461345543,5.14179839532428,0.6462305586780014,13.625314131239223,-2.7250628262478447,-5.746188864911576,-0.3020919461345543,-5.14179839532428,-0.6462305586780014,-7.521122098179581,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0112,17.464993723906105,17.929876688938258,18.342562483595525,18.71519223964733,19.055832483928384,19.369864790246563,19.66093742624904,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_29,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0728273364388752,0.347350078734056,1.1012935792588563,2.6987209077902348,4.496093945015157,5.739344398864041,6.399435476740972,6.708702604251504,6.824776174334652,2.0838309807870123,0.2633993753587409,0.0054723578166897,7.43781585982904,1.6939142821982975,5.028457835241597,0.3022733142163999,2.0482870845998606,4.274410057029592,0.1837118067311287,3.5179815384488906,0.5670281150260716,10.241435422999302,-2.0482870845998606,-4.274410057029592,-0.1837118067311287,-3.5179815384488906,-0.5670281150260716,-2.6183910481797072,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0112,16.95867863725991,17.474718895793007,17.93370206760691,18.34773867860246,18.725170667410527,19.07177575101823,19.39163319300385,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_30,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0703003659944108,0.3944244493074902,1.4142457640803965,3.340597046372344,5.305347551161125,6.607864843090498,7.287990942605803,7.6045191626096384,7.72300496564621,2.6295712973584693,0.286515122803441,0.0048973106817674,10.01900744036395,3.132723516172143,6.152616436620079,0.5665792843148261,1.6387111637069638,3.4227579460595545,0.1518506380437218,1.9005307244530616,0.5855483819709647,11.05251244934585,-0.6857256201032872,-1.32959408132917,0.0387464706770134,-1.9005307244530616,-0.5855483819709647,7.093866591511056,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0112,14.1672232417379,14.971207701186303,15.68984735955712,16.335284616407403,16.917413229391947,17.444315086259408,17.922649554240788,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_31,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0705971427726249,0.400511453063112,1.4410885872323482,3.3147252939252656,5.150829200526178,6.345370830757445,6.964419407972965,7.251650277317488,7.3590413113305875,2.634512681613749,0.2896002058853855,0.0049433720830967,9.579588406026277,3.161139063295194,5.757850575837486,0.5944973244842073,2.586172716136048,5.478699718956842,0.3131786552531635,4.15851166281304,0.7017342437924107,15.730134466725188,-1.6530824207877317,-3.429234328990812,-0.1265605961835002,-4.15851166281304,-0.7017342437924107,0.3392606664419584,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0112,13.84895189461478,14.68992115631837,15.440316515049648,16.112993773498584,16.718521064598914,17.265578760739814,17.76133962298494,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_32,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0717412274682107,0.3416779918562735,0.9831209917837016,2.2429698649588725,3.659843783390028,4.647405899165013,5.174264766204661,5.42168828486258,5.514643949162995,1.7601598978991542,0.2610078102439443,0.0052978539761861,5.953031076657632,1.258139890913822,3.896225825934514,0.0907034172937477,2.727137585270287,5.75063462685533,0.3023906496266119,5.146262782283182,0.6465937573953804,13.635687926351432,-2.727137585270287,-5.75063462685533,-0.3023906496266119,-5.146262782283182,-0.6465937573953804,-7.531657547511397,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0112,17.518400302295124,17.975708851061203,18.382366250081738,18.750116974768385,19.086749215941435,19.39744521292417,19.685707816495093,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_33,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0728294510844952,0.3473309673656443,1.1011032771540523,2.6981810386774643,4.495263590975761,5.738359657889145,6.398380581798477,6.707617277936162,6.823679801943898,2.083414417629594,0.2633918534203498,0.0054727103644775,7.435011190874154,1.6930618159097246,5.026757278101467,0.302025905666895,2.0479466022193185,4.273667955040446,0.1836506424810129,3.517151742067422,0.5669912833356976,10.239733011096591,-2.0479466022193185,-4.273667955040446,-0.1836506424810129,-3.517151742067422,-0.5669912833356976,-2.615811962574313,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0112,16.988739658898904,17.500713396956062,17.956392962547643,18.367712008398595,18.74288313390209,19.087587940917302,19.40583325483477,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_34,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0702766699013198,0.3944356395600492,1.4144236799302727,3.3408484031188466,5.305529996372543,6.6079716338122685,7.288054359581993,7.604561957488877,7.723039998657812,2.629820246714954,0.286505785297183,0.0048934825783467,10.019489941761089,3.133391174690895,6.152694186755151,0.5668914371745689,1.6390481116055515,3.423478599618144,0.1518980607430748,1.901134665738756,0.5856260396792916,11.054534353461944,-0.6859501797941572,-1.3300678823129273,0.038721525619204,-1.901134665738756,-0.5856260396792916,7.093355624126462,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0112,14.160356611692954,14.9652929472299,15.684707739139135,16.33078183322738,16.91343842657401,17.44078196175507,17.919489135993157,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_35,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0705929728336106,0.4004966058624057,1.440966113327739,3.314427505198432,5.15036432992946,6.344799656613001,6.963794524191053,7.251000863247907,7.358382793878064,2.6342772444904647,0.289592850527292,0.0049425473195882,9.57841031287085,3.1606557549447523,5.757246285157233,0.5944424653237189,2.586264980806446,5.478882708133823,0.3131774832167935,4.158686452222015,0.7017638977865602,15.73032008698857,-1.6532665864876677,-3.429619172136565,-0.1265778043530376,-4.158686452222015,-0.7017638977865602,0.3388850220444793,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0112,13.839282662186784,14.681647240772174,15.433155538653583,16.10673075222689,16.712991230858105,17.26065472746673,17.756921918793036,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_36,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0717691328356173,0.3417491165887057,0.9833545817964026,2.243692348548031,3.661146564425507,4.649103463460572,5.176168283775496,5.423687360085424,5.5166787325386,1.7606862719190046,0.261067402480435,0.0053019193215301,5.955934858458228,1.258991114771796,3.897952943986289,0.0907958742251432,2.7252867440660835,5.746665338563784,0.3021209498798174,5.142254343104622,0.6462758200847493,13.626433720330414,-2.7252867440660835,-5.746665338563784,-0.3021209498798174,-5.142254343104622,-0.6462758200847493,-7.52203277125681,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0112,17.47551743934331,17.938888895388253,18.350378146922253,18.722043584841,19.06189427730834,19.37527101693092,19.665792551784754,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_37,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0728265761385923,0.3473500806135707,1.1013027628471426,2.6988043449594183,4.496299614890994,5.739643865633631,6.399786232731057,6.709077616330225,6.825160319486836,2.083879801941872,0.2633990891895586,0.0054722282457872,7.43822502541155,1.6940579247534742,5.028652833693434,0.3022435435320557,2.048193370998117,4.2742111048508376,0.183700114839567,3.517794289714653,0.5670083347699741,10.240966854990583,-2.048193370998117,-4.2742111048508376,-0.183700114839567,-3.517794289714653,-0.5670083347699741,-2.618041183779103,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0112,16.970409981257113,17.48472763353947,17.942336951365938,18.355261592767413,18.73178170658326,19.0776301791824,19.39685317743644,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_38,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0702730155686598,0.3943671340463794,1.4141905036646518,3.340531348872104,5.3052445253797815,6.607730187179572,7.287838625662737,7.604358447399571,7.722841083020858,2.6295136108110246,0.2864619265839381,0.0048934547883389,10.018638256575386,3.13257678574371,6.152382020432309,0.5665609760815722,1.6385606457969577,3.4224375829442084,0.1518308256255678,1.900342494203785,0.5855006733081681,11.05139749877793,-0.6856958891992422,-1.329539018141933,0.0387421256939751,-1.900342494203785,-0.5855006733081681,7.0932930011721895,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0112,14.166597061934878,14.970634080690408,15.689324973298284,16.334810246725898,16.916982845557268,17.443924455573086,17.922294568787557,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_39,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0705753844973329,0.4004635352222614,1.4410169977903855,3.3146397289641216,5.150746441433783,6.345295784759495,6.964349795481204,7.251583479230379,7.358975610529078,2.634429717808034,0.2895574100377784,0.0049402610785152,9.579261130369655,3.160925324788203,5.757685102828163,0.5944530897819289,2.586007436905639,5.478354402886053,0.3131634995857834,4.15819323303994,0.7016938333813564,15.729403786184092,-1.6528852363536728,-3.428818935446315,-0.1265390594753902,-4.15819323303994,-0.7016938333813564,0.3398142190430157,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0112,13.851889338581994,14.692530014484031,15.442642338387063,16.11507542180044,16.720391495418486,17.267265879460986,17.762867072378114,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_40,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0717340817635315,0.3416660960879035,0.9830947803755864,2.2428761615444595,3.659659782867602,4.647156503582422,5.173980171858381,5.421387123747696,5.514336560172222,1.7600946706275853,0.2609961718241235,0.0052967873165149,5.952634888149281,1.2579847261738557,3.895969239151088,0.090673270320306,2.726987193903675,5.750321668543132,0.3023780161020148,5.146011322719794,0.6465505210958575,13.634935969518375,-2.726987193903675,-5.750321668543132,-0.3023780161020148,-5.146011322719794,-0.6465505210958575,-7.531525157622665,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0112,17.51135776110556,17.969675896144377,18.37713077765005,18.74552350221884,19.08268123629764,19.393813676853423,19.682443428595864,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_41,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.072848589201197,0.3473698214534558,1.1011254423799866,2.6981079852621783,4.495054483900156,5.7380495050447,6.398015623858784,6.70722646144735,6.823279256250934,2.083382595253707,0.2634281754450797,0.0054755587726992,7.434603121703878,1.6929210361785156,5.0265088870995855,0.3020223230123331,2.0479977209999896,4.273779684923894,0.1836601294338213,3.517278756470561,0.5669962431565805,10.239988604999947,-2.0479977209999896,-4.273779684923894,-0.1836601294338213,-3.517278756470561,-0.5669962431565805,-2.616220455367545,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0112,16.9804836847805,17.493673064624303,17.950323344130442,18.362428531188616,18.7382443984579,19.083484019868152,19.402177546032064,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_42,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0106846332837495,0.215261393929483,1.1842043601821195,3.0965801347157624,5.022511703145592,6.286102209557792,6.94267042457312,7.247589281421443,7.36163158978543,2.3925740505083497,0.1303800946714253,6.18605959935904e-05,9.25603274577681,2.962321148057042,5.235613536461957,0.3964426886532891,2.061577136970248,4.468871853319071,0.3508754303109296,2.7394393948560176,0.5746232894398136,16.695309238656236,0.0675640476314192,0.2076328643336679,0.0749528066094036,-2.7394393948560176,-0.5746232894398136,7.038017409102827,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0112,15.22372957253193,16.177676972702667,17.010012297817973,17.736942273759503,18.37265531194928,18.92958112479433,19.4185489771031,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0112_43,RSM0112.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0106846365381321,0.2152628441302676,1.184218743421607,3.0966080681164074,5.022541954140854,6.286130740192353,6.942697407257734,7.247615423779163,7.3616573999682435,2.39259876391282,0.1303806872647951,6.186059866128124e-05,9.256138427227992,2.962387768111156,5.2356398385416725,0.3964428332892583,2.061524577884033,4.468757196973446,0.3508658831866971,2.739314361770101,0.5746172238612491,16.695034734242697,0.0676127037234754,0.2077389480347345,0.0749615731348047,-2.739314361770101,-0.5746172238612491,7.038383882426461,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0112,15.22287690137759,16.17692008632799,17.009338173159446,17.73633957958151,18.37211435580736,18.929093674447408,19.418108055257857,[Al].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O]rna.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Al], [O], topology rna"
RSM0061_0,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,5.025309061508976e-05,0.0230950997710772,0.4227688152088346,1.7604456090285847,3.4163950111568,4.583880383004314,5.20606790085086,5.497798506065478,5.607308495065229,1.217034419616852,0.0088284441245652,1.0911372224916147e-09,3.679177661169709,0.8631516542026596,2.267459639028816,0.041998029947975,37.02145004680117,90.46893119895287,2.696132630672055,6.270195844374819,0.7417616575022401,65.0541080734871,-37.02145004680117,-90.46893119895287,-2.696132630672055,-1.3362457466461604,0.7417616575022401,-65.0541080734871,0.0,0.0,0.0,4.0,0.8900000000000001,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0061,19.916781977667,20.0286661056392,20.11545802215785,20.184061481064973,20.239180857175512,20.284104424213176,20.32118296997884,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_1,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,5.026149997345442e-05,0.0230967010515917,0.4227718083208509,1.7604238390875735,3.41634163392631,4.583807806560375,5.205986165550933,5.497712722384471,5.607221231188327,1.2170236337381708,0.0088292240635722,1.0914749837466054e-09,3.679015636311109,0.8631302085366371,2.267343818752083,0.041999666214918,37.021375408634064,90.468777673301,2.696122617742154,6.270161889096356,0.7417636004296151,65.05373731083469,-37.021375408634064,-90.468777673301,-2.696122617742154,-1.3361707632053386,0.7417636004296151,-65.05373731083469,0.0,0.0,0.0,4.0,0.8900000000000001,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0061,19.916802350935274,20.028683075014044,20.1154723691252,20.18407376637679,20.239191493187885,20.284113720681216,20.32119116396086,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_2,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402852997144194,0.4723915646516206,1.218948090387399,2.7098817563599216,4.432175251637378,5.655711569619112,6.314735420459467,6.62556121280868,6.742545110555112,2.1338328798400803,0.378497924889403,0.0200297638595423,8.123698829100206,1.871625003931365,5.261395939239142,0.1472225343249207,5.563745894158998,12.21725579573245,0.7481565686385313,6.39665159624962,0.1762064170046056,28.55171694367685,5.563745894158998,12.21725579573245,0.7481565686385313,6.39665159624962,0.1384478510048144,28.55171694367685,47.0,111.40306,4.0,15.0,0.3799999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0061,3.5084420792604583,4.164772904278815,4.840618525378977,5.519887600274931,6.189938391771141,6.841641884708475,7.468997963985587,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_3,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407970365704532,0.4897248932325458,1.3977070166321528,3.1676887352608745,5.075766078669745,6.37955107199062,7.069456341060558,7.392350620501067,7.513494681108513,2.5007188844742134,0.3863100194433381,0.0201532245392217,9.3351176021985,2.531867122928762,6.129016135821795,0.5390585092772627,7.008032834371823,15.491273112789548,0.9340426023517978,7.975371435975249,0.2217458431702442,35.5799595198781,7.008032834371823,15.491273112789548,0.9340426023517978,7.975371435975249,0.1676403192869229,35.5799595198781,47.0,111.40306,4.0,15.0,0.3799999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0061,3.4705661216951804,4.13377126867608,4.816300670636936,5.501722755095079,6.177208229394964,6.833552220587405,7.464752617534102,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_4,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422750035669844,0.5070690792969388,1.504072645436457,3.3028945540445167,5.097203327795754,6.2764263167856695,6.890147861905089,7.175402719279921,7.282128308510901,2.6457589879782275,0.3956280206655782,0.0205379596225719,9.692705967767354,2.961988267988092,6.220296547716132,0.607653638426257,2.8567921154035183,6.119305933570204,0.4856614388527643,5.370931878578601,0.1425584686455267,20.483613000727363,2.8567921154035183,6.119305933570204,0.4856614388527643,5.370931878578601,0.1425584686455267,20.483613000727363,15.0,31.05706,2.0,15.0,0.3799999999999999,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0061,3.540388941058114,4.182409760414126,4.84421548857866,5.510430791572248,6.168834860585888,6.810471303894307,7.429333323450588,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_5,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1370822726450287,0.4817891220611946,1.3409163547013514,2.91098119833627,4.543991774704358,5.645617183837743,6.2261158217698895,6.497408228220136,6.599138074755629,2.3290398964199786,0.380022495901457,0.0191155985020045,7.423479593045166,2.164827654209624,4.721524856619861,0.3503181557966373,11.998213590247383,27.18626167917671,1.3308264063932025,8.395207702036059,0.2536326933720809,45.79254092263843,11.998213590247383,27.18626167917671,1.3308264063932025,8.395207702036059,0.0955635235847807,45.79254092263843,47.0,111.40306,4.0,15.0,0.3799999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0061,3.269014111726684,3.929816866934484,4.613309253881035,5.302316471262616,5.983450953134046,6.647095069159403,7.2869431438229615,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_6,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399036443448749,0.4806836746729988,1.3747971073888876,3.2216340680164905,5.217602898566445,6.5643014621786895,7.270832812694262,7.600109393473674,7.723423298607839,2.520604097534888,0.3813183436946623,0.0199092469217165,10.21834229556351,2.8764898709712465,6.270576216962834,0.3168842385702748,13.734177342848394,30.82412449744153,1.6202833483866803,11.453920842213892,0.3333185974059973,57.82143992419442,13.734177342848394,30.82412449744153,1.6202833483866803,11.453920842213892,0.1790818121938218,57.82143992419442,47.0,111.40306,4.0,15.0,0.3799999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0061,3.497876758843139,4.16376918719704,4.849113101826533,5.537252997614917,6.215236385066264,6.873820571560503,7.507026185360069,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_7,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1395764431410382,0.4955433935281646,1.3983685748914316,3.1109107721308047,4.970416986113858,6.252760991680046,6.934794448693891,7.254768245031523,7.374937509578807,2.4655512839315525,0.3892027078502686,0.0197597940651186,9.624700204898916,2.728712698120992,5.971533964310454,0.275427893479461,5.782948678357613,12.182979278675289,0.8784560544967124,8.36045821553435,0.2184568410979099,35.080383553555095,5.782948678357613,12.182979278675289,0.8784560544967124,8.36045821553435,0.2184568410979099,35.080383553555095,15.0,31.05706,2.0,15.0,0.3799999999999999,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0061,3.208098900130014,3.858836714006884,4.5364543887170194,5.22306590992527,5.9043406765409365,6.569746720236733,7.212206775043199,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_8,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403032146398493,0.4724200821439313,1.218982022108378,2.709909530734925,4.432185996912699,5.655706680921647,6.3147212413659615,6.625542473603543,6.742524627666071,2.1338644016132142,0.378524623388228,0.0200348289179678,8.123713188450083,1.871635715459553,5.261413180586713,0.147231684572428,5.56392950818219,12.217636794581434,0.7481815964114067,6.3968480796062765,0.1762114237333154,28.552655827979475,5.56392950818219,12.217636794581434,0.7481815964114067,6.3968480796062765,0.1384528706133158,28.552655827979475,47.0,111.40306,4.0,15.0,0.3799999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0061,3.5085963376954075,4.1649390642040816,4.840793308364803,5.52006788342954,6.190121410513036,6.841825321656992,7.469179961406956,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_9,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407968539274075,0.4897205259958925,1.3977065645181956,3.1677169165208467,5.075821986984576,6.379622696009154,7.069535367428933,7.392432916864681,7.513578174013095,2.5007360989725806,0.3863070357542556,0.0201532243361389,9.335282801706876,2.5319473607303293,6.129115958846002,0.5390854608945433,7.008055269759421,15.491319163212244,0.9340474205207326,7.975433772687117,0.221747455969467,35.58017747924156,7.008055269759421,15.491319163212244,0.9340474205207326,7.975433772687117,0.1676421505817786,35.58017747924156,47.0,111.40306,4.0,15.0,0.3799999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0061,3.470381497819404,4.133568644506896,4.816085043485396,5.501498763829472,6.176979901838683,6.833322890289004,7.464524941729128,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_10,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422748648277176,0.5070613249843621,1.5040330012365473,3.302817363543901,5.097103555942708,6.276317000187775,6.890034907983449,7.175288353250253,7.282013457475409,2.6456932847841164,0.3956237485433567,0.0205379595588369,9.692339381648544,2.961790942631076,6.220115598904077,0.6076023058327137,2.8569201499718133,6.119569612849868,0.4856777862028349,5.37104253893005,0.1425612271577032,20.48420047846313,2.8569201499718133,6.119569612849868,0.4856777862028349,5.37104253893005,0.1425612271577032,20.48420047846313,15.0,31.05706,2.0,15.0,0.3799999999999999,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0061,3.539907393049606,4.18189592864498,4.843679868137037,5.509882723639399,6.168282241108681,6.809920549884903,7.428789478348952,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_11,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1371248372381342,0.4818584255024229,1.3409978234164983,2.911064545757632,4.544076113738896,5.645702812225068,6.2262023497562495,6.497495227912596,6.599225259643441,2.329122988101152,0.3800872665811354,0.0191273365841389,7.4238611035641,2.164950228048984,4.721751479602238,0.3503424979069152,11.998184108405242,27.186173574785943,1.330829757268155,8.39531196509072,0.2536349571939453,45.79279642066953,11.998184108405242,27.186173574785943,1.330829757268155,8.39531196509072,0.0955680612303875,45.79279642066953,47.0,111.40306,4.0,15.0,0.3799999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0061,3.268625050384548,3.92938818137388,4.612852847241555,5.301843034002954,5.982969475480627,6.646612764591173,7.286465586285849,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_12,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398661961617194,0.4806238429346025,1.3747230360105105,3.2215462939705013,5.217506417604885,6.564202365973689,7.2707333203289455,7.600009933921834,7.723323885961756,2.520520810930214,0.3812622998057444,0.0198987016425933,10.217975229729015,2.8763252065033345,6.270369449445149,0.3168466009701191,13.734343864645975,30.82452934344333,1.6202948560814003,11.45391111806897,0.333319313644478,57.82169383464875,13.734343864645975,30.82452934344333,1.6202948560814003,11.45391111806897,0.1790780693062581,57.82169383464875,47.0,111.40306,4.0,15.0,0.3799999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0061,3.498047540613448,4.163939291962458,4.8492797712682725,5.537414182176286,6.215390659097772,6.873967003626467,7.50716420911581,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_13,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1396138336084891,0.4955930718957552,1.3984006431149785,3.1109293351827496,4.970438333778665,6.25278822456528,6.934825443306216,7.254801102504072,7.374971079700131,2.465572113317789,0.3892528383477385,0.0197703745541469,9.624841901021698,2.728709212579392,5.971638806853715,0.2754173933641338,5.782865960257392,12.182821303264992,0.8784518365347597,8.36053896426797,0.2184593090218157,35.08039095579669,5.782865960257392,12.182821303264992,0.8784518365347597,8.36053896426797,0.2184593090218157,35.08039095579669,15.0,31.05706,2.0,15.0,0.3799999999999999,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0061,3.2082339684515246,3.85898417546865,4.53661036790256,5.223226893607119,5.904503647095945,6.569909172717224,7.212366675813532,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_14,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0789026806776907,0.6063610592764538,1.8994075777566417,3.843548787957873,5.732735472046992,6.982489862221948,7.636679158527854,7.941628122693105,8.055864547151264,3.1484732776524105,0.4314984587712432,0.0027678656213144,11.189186840080673,4.9655652134817965,6.587462597269407,1.2519070470848572,3.6132283301940857,7.437908142804045,0.4596308261236155,3.0820509672253307,0.0767069650026496,16.47516140003106,1.6470540395182889,3.1112393751088385,0.0663959679884562,-2.030004593297016,-0.0609262693937247,-1.2204072160511066,42.0,100.4003,3.0,2.0,0.0300000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0061,8.396873177504919,9.225603102391458,10.039206640186093,10.8323539690197,11.59969667181918,12.33664714804397,13.039743213900522,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_15,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163362234460368,0.905464145200933,2.139393939596788,3.964511871481191,5.814682961476284,7.071351919133661,7.737314681855676,8.049424407277717,8.166600424933646,3.3025328981724464,0.7115699682970251,0.0231186188971436,10.967771890621847,5.82245162011666,6.140573268269852,1.698248097589128,1.9028634113519045,4.187349885577256,0.3805726822703809,4.947444869514951,0.1332004387946331,17.125770702167138,-1.9028634113519045,-4.187349885577256,-0.3805726822703809,-4.947444869514951,-0.1332004387946331,-17.125770702167138,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0061,9.58686259577505,10.35381333597788,11.092046331308078,11.799994738449287,12.476282245105663,13.11987800396677,13.730192655916982,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_16,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217341985595961,0.9068287447454686,2.138111813370681,4.033412956354165,6.011227128534667,7.360836492716691,8.075232955259029,8.409642472599892,8.53511365199036,3.3356922125408426,0.7133164427275757,0.0232852238374157,11.48114937800232,5.801143283655581,6.588178711232035,1.7024967737496628,2.0139495612644462,4.381980708348288,0.3772571550080315,4.623482685410974,0.1238695219344564,16.568047859443695,-1.5032944163672914,-3.357897561117188,-0.326191640518316,-4.521351656431543,-0.1223375564997649,-15.087147939241946,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0061,9.534228556445433,10.308259879344272,11.051746127003726,11.763585261046332,12.442785014976623,13.088610578629613,13.70068986307936,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_17,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2182097137519813,0.9068028758526508,2.1312155790871485,3.8547097901816127,5.487204852393469,6.552603597144096,7.107148731664736,7.365064021210277,7.461595806806203,3.244717319711443,0.7133681314110419,0.0236535832576664,9.98468482427828,5.161541247947741,5.8046043563704925,1.6445466284687087,2.8361987472180283,6.009208820214237,0.4483428514137118,4.52059119004942,0.118872990625233,18.27307794513873,-0.4582607866201504,-1.2404206958924355,-0.210549055353924,-4.045003597929844,-0.1117391767434393,-11.377057859404882,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0061,9.643929684335976,10.403748843417404,11.137064108357272,11.841620308949276,12.515528465787575,13.15738892535017,13.766355223901806,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_18,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2143271105407936,0.9031871668577032,2.102689462447263,3.7455799144640265,5.30975679472099,6.340283019027127,6.879435164348903,7.130770381652582,7.224928773007644,3.164950439949865,0.7096971994995422,0.0223126771952157,9.170391748178211,4.94199711347826,5.283038639339061,1.60988219019707,4.01403608659546,8.866044523468961,0.5019736766292798,3.966565465417084,0.1309248500796817,18.42509872435172,1.1989812091746626,2.671369882850871,-0.0610372988548794,-3.486519468881341,-0.1237241601316455,-6.910395172435455,42.0,100.4003,3.0,2.0,0.0300000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0061,9.630685154658844,10.400950782312623,11.139850016063662,11.846577618994912,12.520418092957652,13.160865454513251,13.767720676463831,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_19,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0773713361664481,0.6037021472432934,1.891940180365628,3.736271570269426,5.42018837213792,6.493492648494298,7.045632447849446,7.301060777968454,7.396448741141404,3.0918633623360265,0.4286892757058949,0.0026333421239121,10.04945929273965,4.502856742985996,6.003493112711066,1.2336210598269697,5.118385659165058,10.705162741391728,0.5341540960503334,2.0396537870204257,0.0632914392822668,16.620629869399547,4.157356557943272,8.590368230639925,0.3419482758059761,-0.5448082925804238,-0.0408687568656665,7.971367958403476,42.0,100.4003,3.0,2.0,0.0300000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0061,8.265858536294479,9.110620156470102,9.9402560815964,10.74875795287288,11.530351854824133,12.28021915135829,12.994808116526244,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_20,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178231095330026,0.911543486280152,2.1859287048590463,4.170274498969048,6.211582166791517,7.593359195917572,8.322638328505802,8.663649123098008,8.79154629002668,3.4429714448896904,0.7161680384931518,0.0231687963510525,12.377791296205144,6.222530019008345,6.919289598586034,1.7332367100673485,1.878767056569684,4.134324603868532,0.3757534113139368,4.884794347081178,0.1315136939598777,16.908903509127157,-1.878767056569684,-4.134324603868532,-0.3757534113139368,-4.884794347081178,-0.1315136939598777,-16.908903509127157,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0061,9.566139167615484,10.328203529055216,11.061907505726094,11.765669729793531,12.438182643758411,13.078498554822971,13.686089259431307,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_21,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0785372642538295,0.6084929975013369,1.894195742682755,3.8114711966179393,5.671189214715135,6.902404642205359,7.547495329268089,7.848369976878161,7.961108950043014,3.1269088800346174,0.4331327866441705,0.0026648142209764,11.199975425000211,4.814511672806009,6.727557463263906,1.2495963430897856,3.637745759105096,7.4722077637046525,0.4544682373236358,2.9041970257360505,0.0716779904241099,16.081776047605484,1.8238725308425696,3.480685403505093,0.0916935916711306,-1.811873367746517,-0.0552931355542667,-0.2430830067572508,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0061,8.28436938451504,9.097695060903092,9.900227106542983,10.686350501576552,11.450160164721051,12.186414956458933,12.891011433034096,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_22,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173366408765421,0.917024947098082,2.211560688299393,4.1648774739741405,6.143428027429276,7.477819345369397,8.181452739239829,8.510383443148166,8.633738912770006,3.454871242985765,0.7184514920884706,0.0230188330108589,12.04809244412573,6.239172698479813,6.6548757143823805,1.774981251171947,1.776179545704714,3.9085754516596,0.3552359091409428,4.618066818832256,0.1243325681993298,15.985615911342425,-1.776179545704714,-3.9085754516596,-0.3552359091409428,-4.618066818832256,-0.1243325681993298,-15.985615911342425,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0061,9.510373103610664,10.278042223605883,11.014233202843098,11.718655555877708,12.390865314687195,13.030463250243638,13.637251436428055,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_23,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0788936871277045,0.6063344714754766,1.89937790414442,3.843518662992702,5.732703257085537,6.982455872558619,7.636644167740076,7.9415926517684445,8.055828894348048,3.148443585460626,0.4314746723332919,0.0027672556714894,11.18907097615805,4.965454243125108,6.587399995668736,1.2518714002720903,3.613304115059855,7.438087854505991,0.4596521158679128,3.0823963762020563,0.076716460044407,16.47621858640178,1.6468543329957768,3.1108128536853195,0.0663621594550972,-2.0303756729688023,-0.060936149495908,-1.22182945217492,42.0,100.4003,3.0,2.0,0.0300000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0061,8.396863482911828,9.225589029077812,10.039188692627889,10.832332730058948,11.59967274214959,12.336621105797132,13.039715589829086,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_24,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163542351533985,0.905491300944371,2.139410519161269,3.964491595723382,5.814632562176912,7.071286307316039,7.7372424140512415,8.049349312744933,8.166524314314584,3.302525772341985,0.7115958451144764,0.0231238531416921,10.967539319346065,5.82241592182259,6.140441192786944,1.6982741782378132,1.902936385644394,4.187510469302542,0.3805872771288787,4.947634602675424,0.1332055469951074,17.126427470799545,-1.902936385644394,-4.187510469302542,-0.3805872771288787,-4.947634602675424,-0.1332055469951074,-17.126427470799545,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0061,9.5868662175008,10.3538123277286,11.092041098694338,11.79998571278432,12.47626988449112,13.11986278150712,13.730175042384328,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_25,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173337549908126,0.9068039090774416,2.138078158353571,4.033401265264724,6.011248585288372,7.3608797551613,8.075287047670026,8.409701442437964,8.535174419287568,3.335669990788551,0.7132953354850586,0.0232844576277694,11.481268847726266,5.801080448287766,6.588273428707542,1.7024616823703185,2.013963057490672,4.382001254638004,0.3772551634147761,4.623405195475151,0.1238673238084969,16.567883184331198,-1.5032140958235083,-3.3577299644418224,-0.3261802672480598,-4.521255403141718,-0.1223350769234954,-15.086711195496424,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0061,9.534211994064435,10.308241916195527,11.051727299029316,11.76356606497632,12.442765863290845,13.088591787195297,13.700671657428966,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_26,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2182095664356327,0.906798067025854,2.131193150967596,3.8546642980549977,5.487144908912815,6.5525372697805055,7.107079828711021,7.36499407284964,7.461525490581867,3.244679040034664,0.7133652600126793,0.0236535831082591,9.984448628893924,5.161425143282724,5.804469494191399,1.6445169356218587,2.8362304659977258,6.009267636496188,0.4483435666182059,4.520538573641949,0.1188714398103435,18.273020072517845,-0.4581799343709434,-1.2402537588558895,-0.2105385134555278,-4.044928467316592,-0.1117372882154631,-11.376673530800176,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0061,9.643971530988257,10.403786147343274,11.137095680730749,11.8416458469623,12.515548178161485,13.15740328929725,13.766364834923811,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_27,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2143692553756017,0.9032444085962577,2.102737705166241,3.745617124832971,5.309788011858291,6.3403126550890265,6.879464657777096,7.130799958900116,7.224958405442432,3.164991018698049,0.7097542866653926,0.0223244148746824,9.17043943286781,4.942171495077678,5.28303542521628,1.609976477396011,4.013813585792258,8.865514889498389,0.501961557817906,3.966639261579609,0.1309223979536128,18.42496334683208,1.198689855276332,2.670688734064109,-0.061063188285279,-3.4866023953855154,-0.1237218449607013,-6.911150227811241,42.0,100.4003,3.0,2.0,0.0300000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0061,9.6306939968849,10.400949916010829,11.139839202877573,11.846557363649971,12.520389324271914,13.160829304036865,13.76767833309709,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_28,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0773716116748828,0.603710402144296,1.8919579684505043,3.736277759761252,5.4201811983655785,6.493478681559755,7.045615619964596,7.301042770887968,7.396430316717951,3.0918748082112653,0.428694514133429,0.0026333423771853,10.049394409765265,4.502884253936076,6.003462128422101,1.233655288531918,5.118429154549864,10.705248098882512,0.5341609825916898,2.0397151229005748,0.0632927030225422,16.62090361700533,4.157358153912524,8.590361386288013,0.3419467824642218,-0.5448544217403879,-0.0408697925051392,7.971264611269266,42.0,100.4003,3.0,2.0,0.0300000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0061,8.265866354814596,9.110622556233334,9.940253571594187,10.748751105488562,11.53034126877218,12.28020541924652,12.994791800460169,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_29,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177964373736707,0.9115212168366786,2.185916765769793,4.170272390502658,6.211592465501451,7.593378213390465,8.322661900758341,8.66367480354206,8.791572757049394,3.4429654093668005,0.7161430359755193,0.0231591839163501,12.377805790890044,6.22247633528704,6.919290507725535,1.7331923168973198,1.878814097282005,4.134428119402112,0.3757628194564011,4.884916652933216,0.1315169868097402,16.90932687553805,-1.878814097282005,-4.134428119402112,-0.3757628194564011,-4.884916652933216,-0.1315169868097402,-16.90932687553805,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0061,9.5661721222011,10.328219596740828,11.061909121881888,11.76565902243066,12.43816151691749,13.078468725452234,13.686052269779315,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_30,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0785346010619039,0.608475178859625,1.8941826418895384,3.811482087923488,5.671226209286891,6.902458941103089,7.547558563071406,7.848437336852888,7.961177848803573,3.126910561419695,0.4331177347026751,0.0026648880717764,11.20012679459806,4.814481031708278,6.727654658780713,1.2495729392101989,3.637676161119359,7.472077912125688,0.4544662602074718,2.904302690516733,0.0716811200273671,16.081878157073835,1.8237032792086407,3.4803362588912927,0.0916716838253282,-1.8120268024511328,-0.0552969817063829,-0.2438777801226299,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0061,8.284379391569274,9.09770648477262,9.90023832294802,10.686360360634136,11.450167948572908,12.186420295000396,12.89101421266066,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_31,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173660013182229,0.9170581968564672,2.2115729872389123,4.164857291447208,6.143386525215945,7.4777685168913,8.181398270807467,8.51032753805645,8.633682509857492,3.454861492916304,0.718485948284818,0.0230286356907843,12.047881673897065,6.2391990133887765,6.654733068844568,1.775025076786808,1.776375265720761,3.909006143732352,0.3552750531441522,4.618575690873978,0.1243462686004531,15.987377391486849,-1.776375265720761,-3.909006143732352,-0.3552750531441522,-4.618575690873978,-0.1243462686004531,-15.987377391486849,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0061,9.510360416360337,10.278033148306417,11.014228181367251,11.718654670912844,12.390868397061888,13.03046996996504,13.637261373158776,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_32,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0061445652963765,0.1108431282308408,0.638018833166082,1.9324348492588417,3.473877640543277,4.577590690546874,5.174327184242554,5.456285920006493,5.562487940073764,1.4230593979360002,0.0683634713721365,4.105337893103061e-05,4.741757038977968,1.0048566345660486,3.1592945619715507,0.0698236715365441,15.458565793103494,35.313084516080124,1.396771867229855,6.077294984612113,0.3437865401204323,40.558935839185125,0.453227942468089,4.638446092614698,-0.4022847587566312,-6.077294984612113,-0.3437865401204323,-21.16643722395725,32.0,80.346,2.0,0.0,0.0,39.0,-15.0,-31.05706,-2.0,-15.0,-0.8900000000000001,-74.0,RSM0061,19.201803142559,19.80012809075997,20.291315260524787,20.698680168351803,21.03971855081573,21.32770626499086,21.57283108821492,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_33,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0065572781258569,0.1267199499068655,0.835155447159712,2.532741027301609,4.398616268558377,5.663227511598928,6.328292416184913,6.638616815009293,6.754894163841489,1.8815158761871191,0.0756259917494281,4.62764427692565e-05,6.769826745702053,1.7471630105071576,4.253522559894793,0.1425191988443056,15.11909609508779,33.41639739567075,1.5926580011895988,9.152067814924452,0.3530980644430948,51.850256765027176,-4.960824105833944,-7.910881106652321,-0.9577660018612336,-9.152067814924452,-0.3530980644430948,-39.46986277812406,32.0,80.346,2.0,0.0,0.0,39.0,-15.0,-31.05706,-2.0,-15.0,-0.8900000000000001,-74.0,RSM0061,18.94193814967531,19.564199139322977,20.077190741810696,20.504181339247666,20.862770558242094,21.16640367678756,21.425459305551428,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_34,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0075351722685321,0.1242958218527314,0.7017701501744227,2.0912292259355896,3.699906105321001,4.831137649680394,5.437426070204075,5.722788778088904,5.830101357213919,1.5495353918339667,0.0774699507439858,6.125740801912943e-05,5.30961084619019,1.0196951562865104,3.649779761812842,0.0727671691360231,13.046510852357908,29.12838309361294,1.2595412147283414,5.879495283331739,0.2723940385614857,38.2818499048894,-2.494195688627116,-2.633498276578117,-0.6000215169951666,-5.879495283331739,-0.2723940385614857,-25.421215799092497,32.0,80.346,2.0,0.0,0.0,39.0,-15.0,-31.05706,-2.0,-15.0,-0.8900000000000001,-74.0,RSM0061,18.78621525769396,19.40626354714048,19.92188162043196,20.3542266320024,20.71961984437968,21.03072622423121,21.29744799952836,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_35,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0061435773330741,0.1108336423721621,0.6379848607541204,1.9323769271091544,3.4738121087036617,4.5775254524212485,5.174263303389655,5.456222908543533,5.562425290049143,1.4230077564888248,0.0683569643681759,4.104036379538445e-05,4.741575930819648,1.0047867702118607,3.159193927001212,0.0698125414551608,15.458327343047866,35.31245597364292,1.3967585175534092,6.077255589284231,0.3437781118696198,40.55870554499454,0.4528758635163061,4.637591927438489,-0.4023083171431482,-6.077255589284231,-0.3437781118696198,-21.166926636994454,32.0,80.346,2.0,0.0,0.0,39.0,-15.0,-31.05706,-2.0,-15.0,-0.8900000000000001,-74.0,RSM0061,19.201791272354185,19.80011542814818,20.291302372164544,20.69866741353912,21.03970615050145,21.327694348465627,21.57281972444159,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_36,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0065572831491117,0.126720520049506,0.8351570849934185,2.5327414304957463,4.398615527306058,5.663226451803772,6.328291324685241,6.638615737773556,6.754893096470276,1.881516830060329,0.0756262983935906,4.627644300056583e-05,6.769798923695827,1.747153757241482,4.253523188549737,0.1425252547336673,15.119292121626964,33.41690368775135,1.592670936550466,9.152126939795073,0.3531050769319896,51.85055076177995,-4.960583927291922,-7.910292169562498,-0.957751674404526,-9.152126939795073,-0.3531050769319896,-39.46962514993412,32.0,80.346,2.0,0.0,0.0,39.0,-15.0,-31.05706,-2.0,-15.0,-0.8900000000000001,-74.0,RSM0061,18.94193950286088,19.564198647767483,20.077189021248973,20.504178815407847,20.862767526661425,21.16640034309937,21.425455812804696,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0061_37,RSM0061.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0075301826719903,0.1242620948272513,0.7017098632123054,2.091161028682842,3.699832819590288,4.831059576243511,5.437345028993659,5.7227062552228505,5.830018264140183,1.549468897750376,0.0774438606470571,6.11768460242329e-05,5.309338054252226,1.0196391702184968,3.649587685352036,0.0727582057872656,13.046628778763756,29.12866572674254,1.2595565131457165,5.8796590471009225,0.2724001333199548,38.28244692464581,-2.4941777608631783,-2.633439805360041,-0.6000283245269303,-5.8796590471009225,-0.2724001333199548,-25.421647246579475,32.0,80.346,2.0,0.0,0.0,39.0,-15.0,-31.05706,-2.0,-15.0,-0.8900000000000001,-74.0,RSM0061,18.78621663101384,19.406269591544305,19.92189078882525,20.3542378178082,20.719632259113308,21.030739308919763,21.297461360763823,S=C1C=CC(=S)C=C1.[Cd].[S]c1ccc(cc1)[S]pcu.cat0,"linker S=C1C=CC(=S)C=C1, [S]c1ccc(cc1)[S], nodes [Cd], topology pcu"
RSM0544_0,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.004233886229289,0.2037847922055894,1.3602349504911193,3.6704004768106575,5.966890636216746,7.455006447719802,8.223021921818747,8.578583157161392,8.71139205422231,2.822353138291794,0.1108029383725311,4.34982921072102e-06,12.03848351756857,3.9886411765952494,7.119885603822005,0.4947412316025942,20.70887677196856,44.1586349946408,2.049896403139865,5.790087259430095,1.3232988506136325,57.94836435994778,-20.70887677196856,-44.1586349946408,-2.049896403139865,4.891952002912526,1.3232988506136325,-57.94836435994778,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0544,20.069606268719955,20.51167518110572,20.86264971538482,21.14582727298565,21.37757291748636,21.56961891294536,21.73053923148348,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_1,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0042598695073677,0.2040360363625183,1.3594076706342473,3.666133079890508,5.959258317996275,7.445301952253847,8.212273675514073,8.567356226164275,8.699986951865766,2.8193723828722668,0.1110162054050909,4.433472300952524e-06,12.010944803401848,3.97750396885239,7.10951747082877,0.4942857856261692,20.699448632644515,44.13845510776092,2.048561893669804,5.786170304053519,1.3250190203631498,57.90208939366367,-20.699448632644515,-44.13845510776092,-2.048561893669804,4.912056217997051,1.3250190203631498,-57.90208939366367,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0544,20.077236979842112,20.51926885314955,20.870053139670283,21.152952801254425,21.38437348343426,21.576073111262104,21.73664199183941,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_2,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421907737974795,0.5087250574616089,1.4689170609341884,3.1246732079776427,4.76976821548732,5.860774588873859,6.432514043349668,6.69920646776309,6.799143106036103,2.5234652681033927,0.3969213504042825,0.0204958389466095,9.332614057492185,2.434355788417629,6.305705287018778,0.5714306740613068,2.8855881878282634,6.311398712019362,0.5397665961172649,7.203720956766383,0.2726012311692674,23.355720789067224,2.8855881878282634,6.311398712019362,0.5397665961172649,7.203720956766383,0.2726012311692674,23.355720789067224,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0544,3.567373109176573,4.234880099279453,4.9203660494545,5.607162737168249,6.282509498168382,6.937391782367846,7.566026326769792,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_3,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408343239122217,0.4758150762243287,1.1510256338330545,2.086727570084137,2.9077993727674145,3.4259232630401746,3.692757772065257,3.816438967985009,3.862676497330214,1.765525995969326,0.3806994441451563,0.0201840194251156,5.655895504859898,0.9177748348100412,4.0263471673546825,0.0387884202677441,1.4359934633427058,3.096380071455026,0.2255133391892424,3.2401001768566453,0.2161795802076744,8.605966426533442,1.4359934633427058,3.096380071455026,0.2255133391892424,3.2401001768566453,0.2161795802076744,8.605966426533442,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0544,3.530162633315722,4.186290233580617,4.862686881397066,5.542646136678606,6.21321085091542,6.865102603599076,7.492260454036646,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_4,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1391775269707628,0.4936677396879579,1.3729683304379023,2.8110717019600746,4.153281822554392,5.0067833126853385,5.444689192889893,5.647003168405936,5.722513544292412,2.3000764801706968,0.3876162809917179,0.0196659185286596,8.43279423348903,2.123701383676969,5.674493724489282,0.4212203421353931,3.760718016101608,8.13517725999475,0.6158905195706266,8.68784217266662,0.5187247929702898,24.308746289435827,3.760718016101608,8.13517725999475,0.6158905195706266,8.68784217266662,0.5187247929702898,24.308746289435827,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0544,3.1291997199849364,3.7589925428976745,4.418906879664933,5.091154583942461,5.761335201214357,6.4187098341663145,7.055904420806122,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_5,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406597711461061,0.5009185537446246,1.405523103344568,3.066131841512312,4.8135383591107885,6.000883018971906,6.628728183365636,6.922602619713398,7.032870964449789,2.448144640350668,0.3933528489353282,0.0199909904846074,9.734745138987403,2.5693667112097667,6.389697456943896,0.4012771939413848,4.072360863489135,8.828992650288466,0.6858007388138933,9.55030555438239,0.5267933232141432,27.64787363650595,4.072360863489135,8.828992650288466,0.6858007388138933,9.55030555438239,0.5266764778003722,27.64787363650595,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0544,3.034751711806688,3.6304332613133807,4.260082060694429,4.906986943326346,5.557004744729525,6.199132424180252,6.825446709205896,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_6,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405056940737204,0.4866719529128688,1.2869048027900452,2.5834986741212744,3.862689099511544,4.720125609217399,5.173255407097676,5.385543820395228,5.465245282944184,2.116678835587693,0.3852582801267287,0.0200705506149014,8.00144483893343,1.7741150948727509,5.351964196804534,0.1564744447501336,1.2909031721455608,2.838978293038834,0.2565111411822724,3.3429923016037404,0.0934935218880137,11.501264022031265,1.2909031721455608,2.838978293038834,0.2565111411822724,3.3429923016037404,0.0934935218880137,11.501264022031265,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0544,3.46836723523807,4.129932513478592,4.813475110297608,5.501256990916281,6.179620944752742,6.838877708416666,7.472767397451764,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_7,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412038846725371,0.4937406410146686,1.385960231013352,2.997471596785677,4.648952043469582,5.754050169312713,6.334291957537053,6.605051712545777,6.706519476555105,2.403514515690246,0.3888831295760161,0.0202533894719783,9.720465147456126,2.473033681288101,6.347553307619728,0.2854869117124288,1.8852467255028296,4.144439431298383,0.3729975431134731,4.869227070410615,0.1404760549580929,16.68359439042897,1.8852467255028296,4.144439431298383,0.3729975431134731,4.869227070410615,0.1404760549580929,16.68359439042897,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0544,3.4917988323444065,4.156503011783479,4.841890408082887,5.53046573654055,6.208824180186513,6.867499281947469,7.500411537569418,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
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RSM0544_13,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421854273252462,0.5084319114610902,1.4648365466186002,3.1139518693179675,4.7546303929657805,5.8432150042750575,6.413721541045827,6.6798362384134204,6.779555275222633,2.514841991522944,0.3968005677458303,0.0204949776046582,9.270701535643138,2.413550869060307,6.264643227852234,0.5595910304259156,2.8839421421634275,6.306966544213403,0.5386549590100257,7.193181814243633,0.2738639424146699,23.286136419884656,2.8839421421634275,6.306966544213403,0.5386549590100257,7.193181814243633,0.2738639424146699,23.286136419884656,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0544,3.562357529187816,4.22975712284643,4.9152567252743005,5.602160697065933,6.2776814440933535,6.932781290367403,7.561658659846894,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_14,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408600700592851,0.4759264121382532,1.1514553289250964,2.0873933882530675,2.907702110031817,3.42455268325023,3.690459356604977,3.813646340195033,3.859688658117248,1.7661851751770798,0.3807751351698979,0.0201909790089778,5.6553828567338895,0.9176166192637772,4.026387020033105,0.038866175509702,1.4662813627921465,3.1612664780244883,0.2298602750118534,3.3051635628869747,0.2215071907952799,8.758812436869013,1.4662813627921465,3.1612664780244883,0.2298602750118534,3.3051635628869747,0.2215071907952799,8.758812436869013,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0544,3.528717713150672,4.184573802954152,4.860781954051748,5.540626619818307,6.211136665400355,6.863019406233991,7.4902013401851075,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_15,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.139178843293094,0.4947623327016032,1.3810801118412714,2.8294288886856687,4.177952610342978,5.034141528133627,5.473101061047919,5.675835906207255,5.751493292869546,2.3152245382247028,0.3881649883777268,0.0196615974637374,8.498878690789372,2.1594862842675107,5.713699011150335,0.4354075787010778,3.778690460847703,8.176030255281091,0.620749492914205,8.744686404161342,0.5176119558630934,24.559012199755827,3.778690460847703,8.176030255281091,0.620749492914205,8.744686404161342,0.5176119558630934,24.559012199755827,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0544,3.1249095200391217,3.753031694433319,4.411362174618007,5.082196840234539,5.751181055861777,6.407591448422148,7.044048534193271,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
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RSM0544_20,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416505632163063,0.5176231453322114,1.5871535331025897,3.6698710800964713,5.863777551226379,7.340667363720238,8.116772792861282,8.478926739988479,8.614635508527206,2.890900074527232,0.4014937079766104,0.0202444668809112,12.075582120544528,3.735092032900385,7.63771211271162,0.5728341973406683,4.499090653037522,9.760122965283667,0.7560788637726744,10.11694445556554,0.527219274350097,30.614685959322472,4.499090653037522,9.760122965283667,0.7560788637726744,10.11694445556554,0.5212704476253598,30.614685959322472,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0544,3.120141012893153,3.722188931140975,4.353243730110565,4.997774394220486,5.642796269812427,6.278282315368267,6.89705703008588,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_21,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416533014075282,0.5003571142528035,1.529105140577514,3.573730190297841,5.708400117231961,7.1325303695575775,7.877427231198591,8.224286715504999,8.354150829659885,2.809911643035212,0.3914790631823952,0.0203810958345977,12.455922385734356,3.315098515110621,8.16242684805889,0.5608508964669693,2.710148181892847,5.963822001960668,0.5420296363785694,7.046385272921402,0.1897103727324991,24.39133363703562,2.710148181892847,5.963822001960668,0.5420296363785694,7.046385272921402,0.1897103727324991,24.39133363703562,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0544,3.4125519846261745,4.078537877136083,4.766446607279335,5.458353747892436,6.140489412928128,6.803103614699395,7.439911000134656,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_22,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140569226020703,0.4905666722080734,1.368424080235335,2.873181160132114,4.340269789090662,5.29918328572223,5.798004940411262,6.029910526617896,6.116691667542564,2.3297521913581987,0.3866049223299897,0.0200884463230868,8.915138144716506,2.3391224184642043,5.728311625957077,0.2292831418443348,1.3727694002106992,2.9769476340142886,0.2319715431509691,3.228541745418453,0.1759357396856939,9.374161019514348,1.3727694002106992,2.9769476340142886,0.2319715431509691,3.228541745418453,0.1759357396856939,9.374161019514348,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0544,3.483093773986788,4.149917506291674,4.837448170168338,5.528064711875377,6.208295174127685,6.868651613584689,7.503063213795043,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_23,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410894039199389,0.4937724782001272,1.3397506336327245,2.805502743207322,4.266520290007938,5.229625635639319,5.731935796025651,5.965662765622115,6.053151627073913,2.27112701280697,0.3900008959154657,0.0201451700398883,8.061892511809733,2.1444405553100743,5.234424838062788,0.2387674570448131,4.029468264530445,8.70925893078979,0.6488512220193654,8.98902106054152,0.5433350347617768,25.371354353050727,4.029468264530445,8.70925893078979,0.6488512220193654,8.98902106054152,0.5401414859883616,25.371354353050727,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0544,3.3011598192402167,3.9132173558002,4.550640594905653,5.198276758797303,5.843674264015107,6.47736938599674,7.092711095533749,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_24,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1146736762917222,0.7485490416222074,2.1972147452118143,4.334829146635467,6.292722405767354,7.53095046504036,8.164409817960165,8.456645149763682,8.565647836301995,3.583913059542506,0.5489023277651963,0.0045631279747074,13.962173775093166,6.246631339256464,8.283665270591515,1.7009876173819278,1.2892072460140616,2.747304566113949,0.1708752534173342,2.656209273352735,0.2533061243187555,9.863541298416992,-0.419545288159281,-1.012894240466268,-0.1708752534173342,-1.7865473154979548,0.1336934469266217,-9.863541298416992,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0544,7.310327108443198,8.159262092574325,8.991943176628087,9.804081780855263,10.591396575387918,11.35003101805325,12.076858551088812,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
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RSM0544_64,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0591572196061658,0.3812768288289303,1.4128419783659234,3.2145300690905234,4.967039150590257,6.109262028487914,6.702632232059404,6.978338445212469,7.08148724156748,2.56386219375507,0.2697320481075028,0.003476317023605,9.477015635382488,3.3156964010274352,5.605850293874433,0.480542037157002,6.253773700898559,13.321876248252718,0.737003479864691,8.53244958745154,0.9639052837551082,26.20457577118243,-1.4306377644124968,-3.025927964635921,-0.2546898862160845,-8.53244958745154,-0.9639052837551082,-8.504692041644711,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0544,13.438384274436531,14.347450601214236,15.163389212146075,15.898233328645254,16.561623705952886,17.161550373876178,17.70482687270065,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_65,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.078238426572929,0.3627036356517937,1.0701908291479634,2.4035551021456407,3.83753829352967,4.815922230454508,5.333167873693923,5.575150075961308,5.665921437644354,1.9017994019333704,0.276444608862495,0.0062959387968148,7.1843925511435165,1.6561991314989994,4.707031470742737,0.1425956814467864,5.2445212486990025,11.160810153400233,0.6803408345165209,10.687247924831173,1.0571091799297834,26.22260624349501,-5.2445212486990025,-11.160810153400233,-0.6803408345165209,-10.687247924831173,-1.0571091799297834,-21.40125217266145,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0544,15.697778387959872,16.33710289708745,16.902712947405384,17.408382498588015,17.864517806609815,18.27902456453577,18.657950078211623,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_66,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0656851350973147,0.373622405296604,1.3723714261558226,3.474948544570231,5.757965924933146,7.309331980352847,8.127263379643368,8.509425171126301,8.65270343621814,2.67630469732704,0.2719220486049588,0.0043054196262641,11.356838655224562,3.357099682787745,6.974361588618294,0.5778660600222257,7.00050701991342,14.849341511773783,0.6917467150138151,5.491706392337343,0.9626911970917452,25.142651012805864,2.389858777002045,5.196272354901659,0.2472898646777314,-5.491706392337343,-0.9626911970917452,9.586661251042935,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0544,14.348393475176213,15.101031080728305,15.778091452607686,16.391725875585692,16.95076999210736,17.461873698681547,17.930247549274668,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_67,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0670222507726361,0.3946740292276913,1.4826546842800676,3.394580898815847,5.246773150828824,6.4596451123603735,7.092693088911288,7.387610047726655,7.498076539949161,2.7063214335481645,0.2815800500752472,0.0045396033146253,9.718962880134209,3.457968590717701,5.711456037582611,0.5477970864006312,6.277033486731162,13.344896594556692,0.7059752570554451,7.959093226666796,0.9896075744043232,25.83312819054472,-0.9893770647205922,-2.0573364304907287,-0.177209614854388,-7.959093226666796,-0.9896075744043232,-5.0783423262994445,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0544,13.17963283963726,14.039767946118037,14.816020746396752,15.519559308743734,16.159219500849414,16.742174276748514,17.274397490761334,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_68,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0592188751986922,0.381687205670904,1.4138518585510849,3.21524546924958,4.9664517244579365,6.10753933267119,6.70027000577359,6.975671253668729,7.078704925896584,2.56484178658324,0.2700266019809892,0.0034821342841988,9.468473749191634,3.31632711727819,5.5983203461893885,0.4810426497525538,6.2817996878132405,13.381714204509084,0.7401486722474161,8.557385063769695,0.9670713694488624,26.30515283623417,-1.4209943517827404,-3.005353053684779,-0.2540681386443662,-8.557385063769695,-0.9670713694488624,-8.492435544978205,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0544,13.085233463630404,14.026444961289265,14.87192480178679,15.633463786337495,16.320760198600446,16.941999441202984,17.504243040221557,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_69,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0782705518701308,0.3623726834074645,1.072126819246739,2.411982072940347,3.850145909194411,4.829950700916852,5.347572057155988,5.589651201589416,5.680446682008543,1.908046953131347,0.2762182032123474,0.0063036657659541,7.207475087282702,1.664331331807771,4.72228884898967,0.1451913855793579,5.089486949795259,10.81759739682816,0.6473411244409203,10.268215945322622,1.0500732423544794,25.447434748976296,-5.089486949795259,-10.81759739682816,-0.6473411244409203,-10.268215945322622,-1.0500732423544794,-19.866443961888123,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0544,15.97185675766528,16.58755742451487,17.13160068383206,17.617827348963537,18.05653775639468,18.455461567161727,18.82045091751523,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_70,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.065689108325831,0.374134824322758,1.3728056231284211,3.472913043118776,5.7539974358477,7.304604241889613,8.122280146345885,8.504351889120963,8.647600845435571,2.675190320979306,0.2722593005620594,0.004301877132193,11.340539020265515,3.3512182020148145,6.970057081771833,0.5811627751659766,7.00171865587501,14.851186583707552,0.6907221315481744,5.465035086411937,0.9626706884244102,25.1211484087872,2.414895506589615,5.250459668905684,0.2509392846982881,-5.465035086411937,-0.9626706884244102,9.728748769041172,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0544,13.966734307792583,14.757244930177622,15.466941153403544,16.108896195196955,16.692682599341214,17.225536400702484,17.71313635495116,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_71,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0670447156346351,0.3954795892174978,1.4867032748537277,3.4011285836852627,5.252965669601997,6.464607045653045,7.0967726182134365,7.391229739682994,7.501516523051062,2.712377701040519,0.2820300709811296,0.0045402821530774,9.722653559342907,3.473370952810721,5.708479531421033,0.5524599302969994,6.2796333916937295,13.35082222656778,0.7062714694559871,7.946534472883329,0.9880896198369592,25.82158801422703,-0.9686058257493314,-2.013371681546276,-0.1751687128615473,-7.946534472883329,-0.9880896198369592,-5.028818366886678,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0544,13.198057079282208,14.05548942331249,14.829095310955044,15.530240124094304,16.167829924571866,16.749041634743815,17.279822070004315,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM0544_72,RSM0544.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0744753496042416,0.4983281923230139,1.631714302625945,3.541555785286648,5.380010305063673,6.559761932097445,7.165755718862917,7.445662733874275,7.550109074676963,2.8532619256698544,0.361035090888991,0.0029057792680203,12.271300819067656,3.972575328695677,7.580718641765048,0.5739325892228004,3.2409186144094217,6.844974144932137,0.3699751760746306,6.200720023006469,0.7485053282722602,16.20459307204711,-3.2409186144094217,-6.844974144932137,-0.3699751760746306,-6.200720023006469,-0.7485053282722602,-9.693669253177038,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0544,12.003374350255871,13.07514521030988,14.04859755980066,14.928784504856518,15.722425683246495,16.43692347634842,17.079767861763237,[Ni].[O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker [O-]C(=O)c1c(cccc1C(=O)[O-])Oc1cccc(c1C(=O)[O-])C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], topology "
RSM1869_0,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0045660904856353,0.1911387160286204,1.3035724872814818,3.6361640509037576,5.965016896473719,7.46258910593853,8.231129782997087,8.585911737228358,8.718264013226136,2.774635698335804,0.1053348422765839,6.30277817442777e-06,12.220053295533347,3.698335648825352,7.679713495141126,0.4936035890015501,24.856574848822422,55.39548639654774,2.309420585766153,5.475313351903716,1.1300615541859338,63.37656675951859,-24.856574848822422,-55.39548639654774,-2.309420585766153,-1.331939534951646,1.1300615541859338,-63.37656675951859,-23.0,-51.37329999999999,-2.0,3.0,1.39,-46.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM1869,20.314164929196217,20.81543349015365,21.21252925610806,21.53182727820833,21.79203685696801,22.00666322461619,22.185619758197465,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_1,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0045300397732144,0.1904198983239178,1.3010568892586294,3.6336497962346384,5.966204766307158,7.4679688000072835,8.239193928326275,8.595334965523453,8.728213468926427,2.771658318906715,0.104874690043055,6.205600443386812e-06,12.227076116321186,3.696240698660112,7.6804375154897775,0.4904497333058004,24.83743562123867,55.35402609598679,2.3062346943509744,5.449850099674966,1.132749403730097,63.24925049837484,-24.83743562123867,-55.35402609598679,-2.3062346943509744,-1.287313176046464,1.132749403730097,-63.24925049837484,-23.0,-51.37329999999999,-2.0,3.0,1.39,-46.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM1869,17.888480939264216,18.295555334835623,18.617823080336866,18.8768760797868,19.087974176055617,19.26210480520716,19.407319259428668,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_2,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1397691847319294,0.4798206515968644,1.2531131226741614,2.775873745164644,4.514485753270276,5.740610016859976,6.398545132732331,6.7083184805520935,6.824821258511153,2.1900367770971862,0.3825620642880276,0.0198066567432061,8.44238296301017,1.922722127284048,5.573249714460379,0.1573567661104334,3.3773840605864587,7.414079991297749,0.5547953759138602,6.521291493768081,0.2630099710875119,22.75008565216556,3.3773840605864587,7.414079991297749,0.5547953759138602,6.521291493768081,0.2291075631936503,22.75008565216556,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,3.581662211165717,4.198002259739752,4.83494723030758,5.4782636275267445,6.116485881840132,6.741059020034085,7.346099357021158,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_3,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.142019199077949,0.5201303546298471,1.6500123844563106,3.775862223833822,5.960270155106194,7.42772308724524,8.200661548858747,8.561949985487708,8.69744496710503,2.991399002900834,0.4012889606015701,0.0204297161910041,12.78288098226808,4.016812099527098,8.11788805282556,0.744274138240946,2.2403666396509547,4.9282493861770025,0.4463193451383477,5.810921400757736,0.1605090286384375,20.040520961429564,2.2403666396509547,4.9282493861770025,0.4463193451383477,5.810921400757736,0.1605090286384375,20.040520961429564,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.712137607428153,4.38911919650392,5.08090445287352,5.771009418096395,6.447113438662007,7.100730201801315,7.726593473260173,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_4,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421084951193078,0.519367404225193,1.6905567989998176,4.006496488201812,6.426909031412111,8.048417574669589,8.898587411219774,9.294899367674544,9.443345403681596,3.1425054353513064,0.4003087757880001,0.0204852684754397,14.4208783966582,4.524338171719725,9.073483893228897,0.9180586211901032,2.1419767606455227,4.705805817568208,0.420841842973663,5.508711504434827,0.1658007424716137,18.749045204928795,2.1419767606455227,4.705805817568208,0.420841842973663,5.508711504434827,0.1658007424716137,18.749045204928795,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.6960278820737424,4.3838305522438406,5.085274030818471,5.783744224491958,6.4668756246228005,7.126218405064369,7.756601681426867,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_5,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140611391864089,0.5175411904990853,1.604159005818254,3.718333038240536,5.95546759212198,7.47106824765719,8.27071253762422,8.644588021531884,8.78480820104561,2.9272910079480474,0.4004006942476549,0.0199717639387497,12.301387715584124,3.911130861814732,7.593539614036345,0.6574246534025854,3.143853938533503,6.905365703327411,0.4955693565892887,5.593060280960686,0.234245994479309,19.908658155903296,3.143853938533503,6.905365703327411,0.4955693565892887,5.593060280960686,0.1945582954003604,19.908658155903296,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,3.3279405522925365,3.947297334441938,4.5895168360982606,5.239776869950422,5.8860976060755705,6.519501466369317,7.133771851522534,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_6,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.14063597662015,0.5286570878339993,1.645795541780298,3.910733519550245,6.420797329890026,8.163144578911028,9.09212062255016,9.528377924791588,9.692282652990029,3.048191930231107,0.4076750553453304,0.0198273633778584,15.014095704769597,4.233678137365127,9.45484765828422,0.6381441780359068,2.9058726148548017,6.379586311630624,0.5665694516606442,7.438428228139956,0.2340817327914996,25.13049854197109,2.9058726148548017,6.379586311630624,0.5665694516606442,7.438428228139956,0.2340817327914996,25.13049854197109,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.885070149952012,4.527814695629884,5.179663421310649,5.828786012705349,6.465932857394793,7.084425147944573,7.679887128056296,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_7,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398399973236131,0.4795410873345527,1.2145508423877052,2.59264310109361,4.17643014436035,5.309567936027482,5.922776303113516,6.212652164498882,6.321856772972264,2.0639672973446577,0.3827956722203227,0.0198180432027188,7.913429101221539,1.6488096058313797,5.289297152419571,0.1125955073334729,2.618491641356933,5.756762346485345,0.4317698242015723,4.983820764262827,0.1855398709558524,17.805466778715246,2.618491641356933,5.756762346485345,0.4317698242015723,4.983820764262827,0.1570229086278201,17.805466778715246,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,3.6485436954440367,4.262924894697414,4.8976357497327925,5.538602487085577,6.174443199805256,6.79664730369992,7.399356365687344,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_8,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437896324214849,0.562547706171377,1.862817971917028,4.193290119275753,6.466883637451759,7.942254938987788,8.705679028661182,9.05962859554576,9.191920761060208,3.3489189820078344,0.4256340865279241,0.0206786672508613,14.625614726575163,5.262171141767121,8.923844807245963,1.1124671624082416,1.731283989272022,3.8097804451605257,0.3462567978544043,4.501338372107257,0.1211898792490413,15.581555903448194,1.731283989272022,3.8097804451605257,0.3462567978544043,4.501338372107257,0.1211898792490413,15.581555903448194,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.8188551338457626,4.495688541702733,5.183961273298554,5.868316114324572,6.53738077199946,7.183382205618133,7.801549085357255,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_9,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409814953966738,0.5057166193610554,1.6371210943541414,3.895603331704524,6.236320758145657,7.796841034032276,8.613674860974818,8.994235494229606,9.136754004082848,3.055040222577732,0.3923930426632425,0.0201976423942185,13.894357323491343,4.252363317206116,8.646751883913986,0.8227286322170725,1.6582191507208577,3.648850331288573,0.3314999671963528,4.31021888829168,0.1163774527408791,14.913901950140415,1.6582191507208577,3.648850331288573,0.3314999671963528,4.31021888829168,0.1163774527408791,14.913901950140415,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.804998011389607,4.485394247457348,5.179565430712065,5.871149872585898,6.547912214335269,7.2014604582495485,7.826640155800119,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_10,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399084413988945,0.5055924495392674,1.5918838027097064,3.763521491084588,6.028493342042078,7.538859489311502,8.328850191384632,8.696726089469633,8.83446319339687,2.952446755268709,0.3929907782449468,0.0198296942343045,12.694269322081002,4.021486646426265,7.766469326490721,0.6038255445534388,3.5380280301982063,7.766523403137219,0.5453164677921671,6.096511986121128,0.2723312546238053,21.598804081288648,3.5380280301982063,7.766523403137219,0.5453164677921671,6.096511986121128,0.2250823840272372,21.598804081288648,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,3.4044894673208,4.022924399142585,4.661622906809724,5.306632637795038,5.946757115159448,6.573638229008368,7.181505766895878,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_11,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140134446729359,0.5070961070415217,1.6188322722526312,4.002143008664804,6.631816281317959,8.431657337244664,9.38287597182826,9.827669929498745,9.994476515564925,3.0911610044800546,0.3940781813118714,0.0198916881549452,15.716262659678016,4.372286559644774,9.921668513891976,0.6301562639851683,2.937456902832425,6.451640784541312,0.5753811319251741,7.540505958233821,0.2310535053450222,25.589394720600072,2.937456902832425,6.451640784541312,0.5753811319251741,7.540505958233821,0.2310535053450222,25.589394720600072,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.85109513973026,4.50828377689933,5.174927765665933,5.838224936062222,6.488293077407978,7.118110720554411,7.723176938708423,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_12,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398480041820863,0.4796607838203826,1.217317518657048,2.6046764330835286,4.1986462980282,5.338238172995425,5.954692316158585,6.246049607463188,6.35580407101385,2.072338581713783,0.3828458944159622,0.0198200091878817,7.966782174929395,1.6672375118715157,5.321489218379365,0.115592497555781,2.599527525899725,5.715866538795966,0.4289197140279249,4.943633380986569,0.1825091437435314,17.6998030259216,2.599527525899725,5.715866538795966,0.4289197140279249,4.943633380986569,0.1540334998661454,17.6998030259216,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,3.624133571699597,4.239289606073814,4.874550104216867,5.515895206500471,6.151985189098467,6.7743419887097005,7.377132021337027,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_13,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437490569037995,0.5619685234600963,1.8624153426244088,4.194616697256082,6.468788926718803,7.943681732651911,8.706584771956932,9.06022984082419,9.19239802819468,3.3496840850285388,0.4252238851462561,0.020675395094027,14.646548958687656,5.265059931575671,8.939822497023744,1.1159066760033596,1.7497896219170443,3.850503052088796,0.3499579243834089,4.549453016984316,0.1224852735341929,15.748106597253402,1.7497896219170443,3.850503052088796,0.3499579243834089,4.549453016984316,0.1224852735341929,15.748106597253402,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.807404582938672,4.484490395117353,5.1728647861578985,5.857211161931265,6.526189300765475,7.172050908021874,7.790043366706619,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_14,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409903518963346,0.5046583374982873,1.6280426974676394,3.8741751101098174,6.205671413516267,7.761115386767242,8.575518656820334,8.95498998495738,9.097106963209882,3.037662715293405,0.3919225581229678,0.0202017657196248,13.756211243103298,4.185310909540663,8.576911211379723,0.8040605683936569,1.6521814213647426,3.6356246141980177,0.3303516926297391,4.294994962402656,0.1158303419462714,14.863711377258031,1.6521814213647426,3.6356246141980177,0.3303516926297391,4.294994962402656,0.1158303419462714,14.863711377258031,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.813858208992511,4.494421767111737,5.188676772151027,5.880274845610636,6.556994902574497,7.210458262680601,7.8355220105826655,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_15,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398540526949407,0.504998554984692,1.5892769352728635,3.754272025365351,6.011352543913204,7.516795642037639,8.304386837773396,8.671189815109626,8.808532598205163,2.945946832436803,0.3926156898952591,0.0198165654938729,12.638045459448426,3.9928969013710858,7.737370069607901,0.5949376671840931,3.5455700542781114,7.782103523978879,0.5474361423913704,6.141173657147115,0.2751087240770631,21.69698978988181,3.5455700542781114,7.782103523978879,0.5474361423913704,6.141173657147115,0.2283879124130594,21.69698978988181,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,3.401956158438271,4.020740217101527,4.659683597856242,5.304851725933756,5.9450649040571735,6.571979993195238,7.179839610696762,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_16,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401453384031485,0.5090866451716404,1.6203769662474623,3.986362159276704,6.596590139456466,8.384750732451675,9.330321438210442,9.772590413955726,9.93846839128474,3.0825166514852578,0.3952748917352816,0.0198806159497833,15.560003767794033,4.333558079245503,9.830473470328014,0.625931352683388,2.896826097928652,6.362471935390793,0.5674909499053573,7.436753697171511,0.2277137931837884,25.240236003731766,2.896826097928652,6.362471935390793,0.5674909499053573,7.436753697171511,0.2277137931837884,25.240236003731766,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.8537486126380034,4.510680614218062,5.177099071300107,5.840197271805233,6.490086099837626,7.119738142737104,7.724648397725554,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_17,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1397736691677046,0.4793941061595971,1.2514337714506023,2.7777205312873376,4.521554237653653,5.75113732066636,6.410837756630295,6.721422178504404,6.838226852115071,2.1901855307835483,0.3823721635360293,0.0198086594221686,8.45113519028798,1.9167752041491088,5.586755257134353,0.1568594871571091,3.3742911428914946,7.406770282508321,0.5565450899293959,6.56812926289931,0.2641168680273562,22.86578599929335,3.3742911428914946,7.406770282508321,0.5565450899293959,6.56812926289931,0.2311555618518779,22.86578599929335,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,3.567104463740911,4.183102448640463,4.819870483089304,5.463137553541721,6.101406160363175,6.72609526519216,7.331300529467459,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_18,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418928472094091,0.5185170743930292,1.6446605546887532,3.766053469820754,5.947754797808948,7.414517202055226,8.18743984686816,8.548799280089861,8.684333422808159,2.983038046932004,0.400253208187594,0.020405443901587,12.681276082815788,3.984615166717161,8.0624524772866,0.7411809978848539,2.2134172398080967,4.8690678067665525,0.4410487270812225,5.741807056457879,0.1583721206353997,19.8063246966451,2.2134172398080967,4.8690678067665525,0.4410487270812225,5.741807056457879,0.1583721206353997,19.8063246966451,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.7068974369367935,4.384164065290127,5.076342334621151,5.766890725631992,6.4434497525269006,7.097508888671299,7.723788134004199,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_19,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421145648572108,0.5201925850117991,1.6946486211353966,4.019596662524265,6.454669135072036,8.088190940260727,8.945198248072762,9.344807095999055,9.494504816223817,3.15160533468144,0.4007617476474933,0.0204837021009611,14.524438762299416,4.568471868137325,9.127921564662763,0.9113556274363054,2.2153823833303807,4.865368529176736,0.4335966326892885,5.684155444844689,0.1749844391843803,19.2748523715983,2.2153823833303807,4.865368529176736,0.4335966326892885,5.684155444844689,0.1749844391843803,19.2748523715983,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.6618561487991457,4.349207792095745,5.050536975300124,5.749159934420929,6.432649427957804,7.092502758096759,7.723505048574753,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_20,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406882803729304,0.5193781349193949,1.614983800564512,3.7443657975861298,5.995212500052063,7.519245503306016,8.323137664586426,8.698959247282724,8.839903240519398,2.947962674160753,0.4014098587577853,0.019986495166039,12.43070488614306,3.983714660746622,7.668962516576014,0.6847232968999429,3.1495951743148995,6.919232289389223,0.4954914004374524,5.567636132447398,0.2318708324503648,19.893401834750627,3.1495951743148995,6.919232289389223,0.4954914004374524,5.567636132447398,0.1913832307859878,19.893401834750627,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,3.317978220043278,3.9373538129410273,4.579804907205741,5.230450972380013,5.877257043115299,6.511199930373262,7.126028497998067,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_21,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405777603903397,0.529812188707947,1.6466255114597494,3.905757899298401,6.416992139656834,8.164621335468976,9.09762358952121,9.53602684090274,9.700777454690389,3.044843321655744,0.4083469449271265,0.0197995135983957,14.945329989854129,4.220153648383059,9.407176735549788,0.6329392798058313,2.9239631430389967,6.420079959611535,0.5708568247738453,7.490817741229758,0.2339426080640331,25.340162018974183,2.9239631430389967,6.420079959611535,0.5708568247738453,7.490817741229758,0.2339426080640331,25.340162018974183,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.866296880682466,4.505783454089905,5.154662442012349,5.801198647418961,6.436191799583463,7.052972302569624,7.647144321385744,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_22,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410099617481569,0.512057935139388,1.5638070485083135,3.5448349384743465,5.59940162975673,6.980111403227902,7.706164976553748,8.04515416764369,8.172217501018336,2.8104009674492723,0.3974742604648618,0.020108448410635,12.0500787058804,3.62833195355402,7.469745065578474,0.5328901471351148,2.756469036562503,6.046699046577477,0.4741014858114175,5.813683256902817,0.2261519738337553,19.86012880779449,2.756469036562503,6.046699046577477,0.4741014858114175,5.813683256902817,0.2068863206726569,19.86012880779449,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,3.184277445787306,3.7780106924717054,4.401759906405161,5.039951020429945,5.67952819012754,6.310391907179921,6.9253000125799495,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_23,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412900377207225,0.500280539566583,1.500653461377498,3.529846842408983,5.721546744408167,7.212950076033864,8.000166618509416,8.368179809982486,8.506185322446058,2.762441383814977,0.3919878481635341,0.0202493571186158,14.28829085987585,3.7257161038423336,9.000050757947731,0.3705689349071964,2.0182178378327458,4.437906356508138,0.4004297706147839,5.2216560027510175,0.1480242222469993,17.938994753871143,2.0182178378327458,4.437906356508138,0.4004297706147839,5.2216560027510175,0.1480242222469993,17.938994753871143,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.616667721081644,4.28950870511241,4.977628384936812,5.664918235977114,6.33922947640666,6.992113081195947,7.618256889865548,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_24,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405374519355154,0.50794842562489,1.4877016220443298,3.2482190886276965,5.044101881908891,6.247688263786867,6.880852206162684,7.176627928995369,7.287524641728059,2.601343337527731,0.3956586363080972,0.0200064337446452,11.243421198383354,3.1314648337094684,7.018320405595926,0.3236767871742492,0.8739008085424121,1.9230641720396224,0.1747801617084823,2.272142102210271,0.0611730565979687,7.86510727688171,0.8739008085424121,1.9230641720396224,0.1747801617084823,2.272142102210271,0.0611730565979687,7.86510727688171,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.307057231544354,3.970016042826967,4.657240222349516,5.350501821243533,6.035607543412982,6.702395582160944,7.344233777322629,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_25,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1387115980444705,0.48563051599976,1.3436378552460455,2.97530790417816,4.719230445420863,5.9069859879912485,6.534931416883711,6.82876281281847,6.938997103453189,2.362805312492524,0.3838380016266737,0.0195150806857729,9.010965982717568,2.202649308691808,6.056565980698734,0.3995734388156271,4.161968008059282,9.122916029035313,0.6544043976448053,7.600061789777149,0.350187453183466,26.11098389925555,4.161968008059282,9.122916029035313,0.6544043976448053,7.600061789777149,0.3031194641504985,26.11098389925555,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,3.0287774114276624,3.611479116516975,4.225930180393964,4.856808609553299,5.4912207462500975,6.119116686813486,6.733201539776138,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_26,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1369742836979626,0.5416379851700742,1.826625319376577,4.1582389179151535,6.448118752787491,7.939862756004429,8.713262736804117,9.072155777139054,9.206345337158837,3.3112251107012325,0.4087834369252971,0.0189179393914329,18.317754000013828,5.5856831065119135,10.7547120784993,0.5741870989349782,0.9491922662013312,2.088746939773872,0.1898384532402662,2.467899892123461,0.0664434586340931,8.542730395811981,0.9491922662013312,2.088746939773872,0.1898384532402662,2.467899892123461,0.0664434586340931,8.542730395811981,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,1.9563944773634911,2.478153874999962,3.056317051670404,3.673503092786191,4.313211663283636,4.961334088382723,5.606724192349427,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_27,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1355168020879927,0.529220411790671,1.8208390132837795,4.32571084861283,6.881548804063398,8.578484927614117,9.466159135913664,9.879727118372848,10.034615451194846,3.400625257283492,0.4010362239924208,0.0185448051234485,19.339378660140348,5.638277555596432,11.52232383397104,0.5798472402567999,2.2204107455078743,4.886129306848843,0.4440821491015748,5.773067938320471,0.155428752185551,19.983696709570868,2.2204107455078743,4.886129306848843,0.4440821491015748,5.773067938320471,0.155428752185551,19.983696709570868,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,1.9993904729403087,2.5274519363300314,3.111456369310172,3.733806069120389,4.377903501776985,5.02963971618201,5.67793543768413,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_28,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409062514333236,0.5051967062029503,1.4334872896328177,3.2873398703498826,5.396729454587642,6.880669999466999,7.675706505340215,8.04972568040581,8.190339773005475,2.5749695556930874,0.3959964702013962,0.0200496945131171,12.102900884219478,2.99744417991586,7.918878389259352,0.3502025428929304,1.8389795807105729,4.042922558070317,0.3640339033321737,4.751250807367963,0.1366287975506155,16.287475329699298,1.8389795807105729,4.042922558070317,0.3640339033321737,4.751250807367963,0.1366287975506155,16.287475329699298,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.64925778358661,4.314719618332705,4.999105747116631,5.685141454125915,6.359748748232546,7.013808533967973,7.641561333310747,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_29,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400501512267601,0.4973931390919437,1.4347658228672853,3.2599712747957894,5.18669683726894,6.4786066576069175,7.155328248836129,7.470574929795478,7.588618876614963,2.575557804987428,0.3907227059381906,0.0198401224621005,10.21713159268628,2.804642849337656,6.73334465176574,0.5700785847279056,1.8866074061016933,4.133010207713409,0.3591671801150115,4.759944847021785,0.1701865507483055,15.708665577542336,1.8866074061016933,4.133010207713409,0.3591671801150115,4.759944847021785,0.1701865507483055,15.708665577542336,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.535379989952957,4.146320532150691,4.779796556516343,5.421147903657921,6.0585560197083845,6.683174011945169,7.288881047785134,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_30,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.139578512555545,0.4923537901642269,1.4128614498499008,3.1995944913595684,5.090146997317412,6.364647725262578,7.034701774136364,7.347421860926103,7.464614094458575,2.52992393544234,0.3875969944195079,0.0197298813079266,9.58709954988038,2.548815065737974,6.401653130733389,0.4044289569391457,2.185460336112432,4.796454811110303,0.4246118153133564,5.582354858619284,0.179190752537043,18.79552539137279,2.185460336112432,4.796454811110303,0.4246118153133564,5.582354858619284,0.179190752537043,18.79552539137279,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.333967255175834,3.920907103367855,4.53634917365473,5.165328243197661,5.795352619775178,6.416770675423137,7.022659893006777,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_31,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140431142105501,0.4854746315732043,1.4050089012326883,3.213509712860104,5.116833167593483,6.397269794521977,7.070563810363413,7.384924603659899,7.50275936656986,2.5366677612179407,0.3835374770497202,0.0200710768621754,11.143452071540532,2.7714733782853656,7.272422387745978,0.3325576771644705,1.7511023708023772,3.853391824273913,0.3502204741604754,4.552866164086181,0.1225771659561662,15.759921337221396,1.7511023708023772,3.853391824273913,0.3502204741604754,4.552866164086181,0.1225771659561662,15.759921337221396,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.679602952642833,4.347999503774485,5.034875373561077,5.7228922210308495,6.398958681444852,7.0539800120406735,7.682245021519298,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_32,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141374931013254,0.5313207968620396,1.6726448202309756,3.7415182742563378,5.840547900980169,7.2405269987065,7.974791052680706,8.317274358346358,8.44559854420543,2.982572431887059,0.4073759514944638,0.0201632585269018,12.368387963689791,4.115539195957989,7.576272811649154,0.7250549049068784,2.931399097564485,6.446981212542628,0.4680719945961425,5.2367893097383,0.2012342005779937,18.99896864246656,2.931399097564485,6.446981212542628,0.4680719945961425,5.2367893097383,0.1635412406004971,18.99896864246656,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,3.2916312199395543,3.895056831114448,4.523369236597334,5.1619948011911205,5.798963570284968,6.425149803336132,7.03409927094851,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_33,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.14053093975938,0.4991694703396904,1.569328009939801,3.753341778623114,6.055332573795793,7.596921305313025,8.40453740740386,8.78085485998038,8.921786381142672,2.9337511342212057,0.3896028470013006,0.0200690326990871,15.659666873636311,4.267417247184898,9.62895029716548,0.427927648283731,2.022288827010606,4.44765289763584,0.4020145478144157,5.238405209525931,0.1466909748249237,18.029574211956067,2.022288827010606,4.44765289763584,0.4020145478144157,5.238405209525931,0.1466909748249237,18.029574211956067,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.481295928777248,4.139154265473291,4.8174499775934505,5.499345714825636,6.171836011374598,6.825657037777518,7.45479558600507,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_34,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404071497104183,0.4928674895132159,1.414029719975932,3.124498124153104,4.91340416162881,6.127047590703282,6.768917954805815,7.069444047374752,7.182225903643262,2.4894741082102696,0.3874343031163652,0.0200396819895841,10.760770742776764,2.7996512533722893,6.835551561734745,0.2770286992488197,1.1051005661725368,2.427052790350663,0.2163479802400172,2.8358844080926744,0.0871685189205067,9.618855785938525,1.1051005661725368,2.427052790350663,0.2163479802400172,2.8358844080926744,0.0871685189205067,9.618855785938525,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.465936020236948,4.132241210685997,4.8197479897025,5.510864006868867,6.192034058588437,6.853654162261394,7.489542830747996,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_35,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1387945897038744,0.5074637778272717,1.5276532783007712,3.4003585092786666,5.312724472079954,6.590055084394892,7.260421896064252,7.573205847413552,7.690419752792367,2.7107722185270178,0.3939157254800689,0.0194983037517274,10.369128307562576,3.089275747970409,6.791303443728961,0.7290836173083962,3.6663099453521264,8.033706970824705,0.5947389794050708,7.1042428884790745,0.3162294296634109,24.117308621950382,3.6663099453521264,8.033706970824705,0.5947389794050708,7.1042428884790745,0.2816585539175779,24.117308621950382,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,2.851574056158199,3.42018643180486,4.025382060384553,4.651481094965066,5.28491687784284,5.914880143294866,6.533356913200196,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_36,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1375469389542784,0.5413651046588928,1.7739980016653276,3.98888244750556,6.180796794039059,7.619339075720105,8.368150166135154,8.716275656594936,8.84653985031784,3.183049747397944,0.4101564809502231,0.0190240986604817,17.06656315384737,5.102041725397225,10.205132217503616,0.5972196336468197,1.0278851727464016,2.26191477265744,0.2055770345492802,2.672501449140644,0.071951962092248,9.250966554717612,1.0278851727464016,2.26191477265744,0.2055770345492802,2.672501449140644,0.071951962092248,9.250966554717612,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,2.0170662725600303,2.5494343948552407,3.1367602578971328,3.761411273995648,4.406812969427873,5.05891120151224,5.706695233052889,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_37,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1353817337820611,0.5250252274198315,1.7020571086917744,3.960336865147852,6.334437248975268,7.94264924780873,8.791704994734499,9.18884433591598,9.33781738413294,3.1187496646643265,0.4003736725324021,0.0184871859266712,17.791105371833755,4.864070831060277,10.746552264094069,0.4330799197227447,2.5896927437590604,5.698680970337451,0.517867587502802,6.732633443781477,0.181427510686055,23.302267406400844,2.5896927437590604,5.698680970337451,0.517867587502802,6.732633443781477,0.181427510686055,23.302267406400844,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,2.1103689871688323,2.659858103282265,3.262482663000712,3.9001470236857374,4.556137850093494,5.216498470524154,5.870463489863397,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_38,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407491549060307,0.5105659192893591,1.6174515437690942,3.8884077510361017,6.316743668912335,7.952736931595043,8.81128339104066,9.21152463764502,9.361437306639091,3.0313785911056,0.3961356348350502,0.0200735136772836,15.358370352502677,4.247982802207385,9.860154308240498,0.6793713897266226,2.3024060268616613,5.0665627371652615,0.4604797875839731,5.986244327533447,0.1611713992358706,20.721554996569804,2.3024060268616613,5.0665627371652615,0.4604797875839731,5.986244327533447,0.1611713992358706,20.721554996569804,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.3270136090909306,3.982177217330791,4.662759133377635,5.350319638114572,6.030555361975392,6.693233040990908,7.331657776762152,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_39,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1397487927077178,0.4959377326530077,1.3949531978313363,3.175089467964251,5.16028309192631,6.540367546691689,7.275940730306662,7.621240287683607,7.7509454306990575,2.4956306853435355,0.3902180889849347,0.0197531324216499,10.000191011166727,2.561288390917293,6.73495597171655,0.4577197374547078,2.100517906530367,4.607545445489348,0.4056784622538374,5.3459456045610665,0.1773290034668211,17.894902825116787,2.100517906530367,4.607545445489348,0.4056784622538374,5.3459456045610665,0.1773290034668211,17.894902825116787,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.4101063410936288,4.006224293517585,4.629612896987759,5.26498534910078,5.899762971651279,6.524358583588498,7.132000468776796,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_40,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1394360739066296,0.4852115440462949,1.3528720403551548,3.079210505111557,4.958564477061203,6.243324320587484,6.922752149037071,7.240621713025112,7.359860038840419,2.424776715590585,0.3842935182422922,0.0197012250854941,9.266152932514226,2.2592927105717164,6.24817486729266,0.335275200375577,2.392090840260905,5.250746404347949,0.4655374547178051,6.116390478003345,0.1944958568204526,20.62716762894183,2.392090840260905,5.250746404347949,0.4655374547178051,6.116390478003345,0.1944958568204526,20.62716762894183,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.3545055899524883,3.945893669875583,4.564741743004506,5.196075481408585,5.827516436356028,6.4495743902734,7.055493422145771,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_41,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403569043148333,0.4835329842663439,1.39658402062675,3.222162930627629,5.155922451176963,6.455010153162132,7.136590223827474,7.45439265875695,7.573443672192473,2.536107096188507,0.3825725317509343,0.0200536897822605,11.533349028179089,2.84523193472304,7.510932278042253,0.3086138489853578,2.122290508361562,4.669509013683379,0.4237721058642298,5.5124673552754,0.1500009267822828,19.052594868688274,2.122290508361562,4.669509013683379,0.4237721058642298,5.5124673552754,0.1500009267822828,19.052594868688274,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.600549285304425,4.270467223979819,4.959685625059909,5.650597212381399,6.329883131845363,6.988275029827428,7.619937612641574,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_42,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413685049262404,0.5309249566222453,1.6709709678717894,3.7372034196073214,5.831698105273484,7.227779982895754,7.959776521113912,8.301155878027389,8.429059278073268,2.979431256575478,0.4071533498970623,0.0201633271902987,12.338733708216868,4.101644522349452,7.562924098003979,0.7242536911498565,2.932752553001773,6.449643413201306,0.4685456834292517,5.248364908399949,0.2020298894698268,19.0213774777276,2.932752553001773,6.449643413201306,0.4685456834292517,5.248364908399949,0.1645054032022214,19.0213774777276,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,3.292881078602932,3.895624732738349,4.523406171576929,5.161635754282339,5.79832305173099,6.424321526352473,7.03315792239075,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_43,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405366043762199,0.499694642814111,1.5696323536917514,3.7466082447637903,6.039562130176711,7.575253547443901,8.379901289847002,8.754867906492695,8.895298993894349,2.930056820258085,0.3899007186407396,0.0200686098541056,15.575174389960436,4.252727489384517,9.576847302214608,0.4290602257958641,2.001425056366161,4.401961542623816,0.3980573449459892,5.185883815934075,0.1447778532328409,17.856888864388452,2.001425056366161,4.401961542623816,0.3980573449459892,5.185883815934075,0.1447778532328409,17.856888864388452,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.4877085185667465,4.145192495766475,4.823168495260747,5.50480360201998,6.177090223931556,6.830758965504519,7.459789642216072,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_44,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404080122391447,0.4934753278269366,1.4220094411945077,3.1421524411172306,4.93284440608923,6.144594349156615,6.784743137076563,7.084320524213669,7.196724753423495,2.504629839078031,0.3876577494519341,0.020039924123274,10.813082312660969,2.844472597610652,6.856245860649272,0.2910544169473953,1.0849069095978576,2.382819958032638,0.2125090602637127,2.784979391707559,0.0853353591491533,9.451099670470605,1.0849069095978576,2.382819958032638,0.2125090602637127,2.784979391707559,0.0853353591491533,9.451099670470605,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.461071152366232,4.127994870725686,4.816090505350904,5.507735288380561,6.189360070826046,6.851357993955307,7.487551337383345,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_45,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1388050262970127,0.5078476123635883,1.528821225117491,3.399341653335362,5.307808835822939,6.582305116792079,7.251180949670699,7.563273789638932,7.680229765802458,2.710874084822346,0.3941229448362474,0.0195001089858279,10.351485584602772,3.089347432486718,6.782894006318761,0.7318716247838287,3.619666244430437,7.93100872444283,0.5887006736933591,7.051316098712335,0.3134185512160453,23.901831267737457,3.619666244430437,7.93100872444283,0.5887006736933591,7.051316098712335,0.2799482871972007,23.901831267737457,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,2.851256034394399,3.4197837127719146,4.024932015345944,4.651014704792292,5.284457526808315,5.914444163512187,6.53295483000906,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_46,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1374804404851094,0.5396086161038415,1.7679248959766738,3.981098437821225,6.174315499129908,7.614205475587229,8.36373889151384,8.712193594545237,8.842579189438224,3.1753437879912827,0.409074150355139,0.0190220889732891,17.043708978628246,5.075728024049776,10.195859736730092,0.5865247521277498,1.0235869687477597,2.25245635125182,0.2047173937495519,2.661326118744175,0.0716510878123431,9.212282718729837,1.0235869687477597,2.25245635125182,0.2047173937495519,2.661326118744175,0.0716510878123431,9.212282718729837,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,2.0158213419751454,2.54784735943974,3.134862754496996,3.759247417663856,4.40443142317272,5.056359824614242,5.7040179301560245,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_47,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1353448022994864,0.5259423518492646,1.706887155359552,3.9668407141417146,6.334744236382805,7.935273081053589,8.779377863338729,9.17401574518147,9.322021785685076,3.125595139675204,0.4008578109907241,0.0184713632094935,17.796428020474234,4.886139440671512,10.739989429299063,0.4400466656082096,2.569143409468358,5.653515908824812,0.5138113179298853,6.679633952907442,0.1798765029867357,23.12107520775019,2.569143409468358,5.653515908824812,0.5138113179298853,6.679633952907442,0.1798765029867357,23.12107520775019,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,2.1088346850680484,2.6576189717344207,3.2596132390176003,3.8967414148864856,4.552297547279418,5.212323226244706,5.8660454643123225,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_48,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140638729336128,0.509648352262408,1.6115821450928665,3.874089827739842,6.295250588382224,7.926986080171074,8.783424283578476,9.182707212749415,9.332264624852726,3.0199737921203496,0.3956038457221921,0.0200453554282665,15.269833430438744,4.2120143153651615,9.81001095596783,0.6705916117884801,2.2861444358222265,5.030779021859062,0.4572282138115461,5.943970146314595,0.1600315245486439,20.575252787697096,2.2861444358222265,5.030779021859062,0.4572282138115461,5.943970146314595,0.1600315245486439,20.575252787697096,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.334839460445453,3.989928130494691,4.670365178164158,5.357724929622739,6.03772047703131,6.700134087910503,7.338283978208328,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_49,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1396632848232893,0.494581625701526,1.3854866152186778,3.150293653771352,5.119525993725024,6.488496974869102,7.218088476735549,7.560563592336335,7.689204976673773,2.4764546866071284,0.3894858243787745,0.0197332114863937,9.859547582564504,2.500934839985875,6.650698290663956,0.4398277783913576,2.090158646136129,4.584891991737412,0.403746073418688,5.320127233485634,0.1763109824274586,17.81143190862751,2.090158646136129,4.584891991737412,0.403746073418688,5.320127233485634,0.1763109824274586,17.81143190862751,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.4104117819555726,4.006373317041637,4.62965122535887,5.26497621274336,5.899786923017206,6.524513050831786,7.13239815212699,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_50,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1394981097400032,0.4854220217100087,1.3577492460259697,3.0943271242538475,4.978425024300195,6.263468850491615,6.9423021432271455,7.259740541565895,7.378793594644157,2.4366888151400694,0.3844023619546236,0.0197186785541204,9.29188984968109,2.2869238684696755,6.262964332183377,0.3451994941846334,2.340019654274596,5.137079983771351,0.4560216999484315,5.988193253862048,0.1889640607028453,20.22142072501724,2.340019654274596,5.137079983771351,0.4560216999484315,5.988193253862048,0.1889640607028453,20.22142072501724,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.3560488341928503,3.947686028690672,4.566739354963726,5.198253599035768,5.829863519330898,6.452087255010637,7.058173666921255,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_51,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403461659395663,0.4831413123214115,1.3910362356710884,3.20252246821054,5.122431492200184,6.4131488240836925,7.090602313719283,7.406536975468281,7.524897069753968,2.5217613203109086,0.3823963522175452,0.0200513609308743,11.441954114986771,2.806370096271982,7.458497699557869,0.2997129934940251,2.100272448287362,4.620922338458539,0.4192367042873842,5.454166082586435,0.1487364206573002,18.845207058680085,2.100272448287362,4.620922338458539,0.4192367042873842,5.454166082586435,0.1487364206573002,18.845207058680085,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.607123040877762,4.2770436580596165,4.966128303076945,5.656813930343925,6.335818743050942,6.993902601837284,7.625250226794311,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_52,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411325073704445,0.5141501617563152,1.5742372427178866,3.5626096476673723,5.620434725977661,7.002297971671979,7.728743957298069,8.067874443481468,8.194984365623622,2.82621422137078,0.3986233345007667,0.0201376231418562,12.104043836816546,3.668964442667981,7.495154759263004,0.5454731613382303,2.738072317243493,6.005824386505293,0.4716212399466567,5.795317400535955,0.2258285745368891,19.766192965841373,2.738072317243493,6.005824386505293,0.4716212399466567,5.795317400535955,0.2070834002533446,19.766192965841373,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,3.1669256014792624,3.760362274750291,4.383883905994878,5.021915929250423,5.661398407751907,6.292225339229378,6.907146766988535,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_53,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412865471093692,0.5009706112309488,1.5014092078217396,3.526908787183513,5.714661743034012,7.2036853877966855,7.989742008308387,8.357234610336382,8.49504837059591,2.760980837917481,0.3924073929925869,0.0202429605964664,14.273746131235736,3.723152187988315,8.980788363314195,0.3658118936594495,2.013799115778083,4.4278965958654775,0.3992662606793612,5.2079292012129725,0.1483024193046017,17.879642668664875,2.013799115778083,4.4278965958654775,0.3992662606793612,5.2079292012129725,0.1483024193046017,17.879642668664875,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.6249648291465983,4.297133927992781,4.984652493226577,5.671415032109848,6.345272411055947,6.997772422692134,7.623597702488778,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_54,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404855227583538,0.5071660245962455,1.4860465060398085,3.249086536704982,5.048140573414199,6.253549699483562,6.8875453016118655,7.183679024069657,7.294704994196467,2.6010735102753006,0.3951723617558399,0.0199963490178841,11.263555373942726,3.134444672733692,7.022345798976668,0.3209614882871613,0.870017263731573,1.91451822973904,0.1740034527463145,2.2620448857020894,0.06090120846121,7.830155373584156,0.870017263731573,1.91451822973904,0.1740034527463145,2.2620448857020894,0.06090120846121,7.830155373584156,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.293320863044256,3.9565894766895817,4.644033572221542,5.337430738441634,6.022601137865384,6.689398679575884,7.3312060130659935,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_55,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1386221797184691,0.4868210442984653,1.351223007594814,2.9856609897526143,4.727119814969453,5.912199145087861,6.538590794512412,6.831675311218183,6.941626886346552,2.373087535412837,0.3843597590522933,0.0194859404943895,9.046652787392864,2.23472347453391,6.074688650822649,0.411546675591908,4.1156985055523565,9.019700308487096,0.6488289930230536,7.572555317706643,0.3503279306641026,25.9128263512992,4.1156985055523565,9.019700308487096,0.6488289930230536,7.572555317706643,0.3049195343490274,25.9128263512992,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1869,2.993659356311601,3.576383634463626,4.191204572171169,4.822697946037621,5.457878007978129,6.0866209726649885,6.701577326427118,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_56,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1369633287725047,0.5411354355915045,1.825306036671193,4.157270698561646,6.447296753805253,7.938768734949821,8.71190778394842,9.070652593661512,9.20478238904241,3.3100844085141405,0.4084800487132443,0.0189185334463577,18.32463382731524,5.585184540381211,10.753544068999666,0.5711954618592882,0.948499262237352,2.0872219485149297,0.1896998524474704,2.4660980818171154,0.0663949483566145,8.536493360136168,0.948499262237352,2.0872219485149297,0.1896998524474704,2.4660980818171154,0.0663949483566145,8.536493360136168,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,1.950169656707651,2.4718495569528334,3.049893767271249,3.6669403075875056,4.306502945248709,4.954482545631699,5.599738768809575,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_57,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1355311450811022,0.5294187919493103,1.818142057001436,4.313816166542281,6.859679431520692,8.549963241334847,9.434162069283884,9.846112616049876,10.000395510010817,3.392269263265635,0.401219038428842,0.0185457744678189,19.26027927280997,5.609501935176507,11.472726543677435,0.5747497950131231,2.222293043567989,4.890271401609626,0.4444586087135977,5.777961913276771,0.155560513049759,20.0006373921119,2.222293043567989,4.890271401609626,0.4444586087135977,5.777961913276771,0.155560513049759,20.0006373921119,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,1.995676190822736,2.524102468001977,3.108408258987968,3.730997980155461,4.375276662288124,5.027139145512305,5.675511182732559,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_58,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408951203906663,0.5037370107978497,1.4326719459487771,3.3015994498119765,5.428946101141893,6.923964951997017,7.724408207282525,8.100852115778721,8.242358910110333,2.5828702719308887,0.3950808713349803,0.0200628432664784,12.1720427933282,3.0081504510852737,7.975112743611122,0.3530848842473952,1.8841075242010927,4.14201148661963,0.3728468734739808,4.86688251199294,0.1402342525631756,16.6787435221732,1.8841075242010927,4.14201148661963,0.3728468734739808,4.86688251199294,0.1402342525631756,16.6787435221732,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.64070529668492,4.306066527027977,4.990500005432745,5.676691088790629,6.351527908317496,7.005864612101751,7.633921525133009,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_59,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399329832279107,0.4978387452839711,1.442428130561294,3.2822435573082496,5.22116336904136,6.5199361185236295,7.199944353851926,7.516661279433804,7.635246589993416,2.5927366459723142,0.3908010355612265,0.0198065188784281,10.283293662972005,2.8465685082303898,6.769487053120167,0.5812685083357771,1.9127654101335128,4.190753092153728,0.3645755930298748,4.829370154372512,0.1716463056026844,15.956464461423668,1.9127654101335128,4.190753092153728,0.3645755930298748,4.829370154372512,0.1716463056026844,15.956464461423668,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.525796628840474,4.1357556823923405,4.768408172356624,5.409101552671814,6.046011003254947,6.670275229018909,7.275755085361888,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_60,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.139597366192692,0.4930297819760955,1.421852941141263,3.226435182378732,5.1313499748289,6.413472371305854,7.087022513974445,7.401270217770898,7.519018994728051,2.5505610517238453,0.3878854067608051,0.019734874435623,9.686067099366843,2.6049710093261966,6.459301138558096,0.422662986083362,2.16279222716896,4.747317469698008,0.4208066254729983,5.529245230952946,0.1760742778194937,18.642502647265083,2.16279222716896,4.747317469698008,0.4208066254729983,5.529245230952946,0.1760742778194937,18.642502647265083,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.33538912239645,3.922763470524092,4.538597385745305,5.167908734658548,5.798201839817507,6.419828131729883,7.025871532703788,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_61,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405531808773695,0.4858129987818457,1.407245824960768,3.221125956534665,5.130392190139867,6.414616151840885,7.089794078107687,7.405006156905254,7.523155212570498,2.542179055593981,0.3837838123822079,0.0201050927185887,11.221523967138864,2.7925910306715864,7.321105596438426,0.3317919548928995,1.7574551201701074,3.867371379600571,0.3514910240340215,4.56938331244228,0.1230218584119074,15.817096081530968,1.7574551201701074,3.867371379600571,0.3514910240340215,4.56938331244228,0.1230218584119074,15.817096081530968,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1869,3.6766158101356927,4.34500177614829,5.031871375934642,5.719889979740249,6.395968843809097,7.051014364913471,7.679315208940181,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_62,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2252471997627645,0.933569036940241,2.1429504107826145,3.855158614879831,5.603606898014431,6.810609140012588,7.456557790801731,7.760717276474885,7.875137378911348,3.2358330511946227,0.7360701621846126,0.0236943711581143,10.567964779035131,5.308549853797191,6.1681930781569525,1.6725456793744409,2.360750501612757,5.14222939492958,0.4205985702515898,5.725539063625479,0.2735107482619122,20.215723913095587,-1.8452352009031407,-4.113260854713187,-0.4205985702515898,-5.210023762915863,-0.0209082509142004,-20.215723913095587,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.693398831448762,10.430686472695758,11.150268318171726,11.847037597032804,12.517197653244404,13.158089898888663,13.76803615519414,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_63,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168146015404987,0.9125187786295776,2.240122797653731,4.239524769954343,6.20513158220417,7.511299142892169,8.196635228299376,8.516479146835389,8.636356942979166,3.520435087823833,0.713986406612261,0.0235138081213652,12.967708568717612,6.115503387007899,7.671973807041949,1.826690515236296,2.2978675289060058,5.056576986469169,0.4595735057812012,5.974455575155615,0.1608507270234202,20.680807760154053,-2.2978675289060058,-5.056576986469169,-0.4595735057812012,-5.974455575155615,-0.1608507270234202,-20.680807760154053,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,10.05683416748599,10.7985139221517,11.515459614842944,12.204608545860166,12.863742392113078,13.49140806057732,14.086832285349162,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_64,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1032870530649517,0.7452191299426951,2.2808889933773826,4.511303216290352,6.629270069068107,8.030306374176313,8.766604195347748,9.110719939111457,9.2397856866896,3.724031117396657,0.5358655346928033,0.0036919432834278,14.733453534241884,6.586549690286769,8.955510560557283,1.895581952243364,1.0864348467473706,2.39075637487962,0.217286969349474,2.8247306015431635,0.0760504392723158,9.777913620726334,-1.0864348467473706,-2.39075637487962,-0.217286969349474,-2.8247306015431635,-0.0760504392723158,-9.777913620726334,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,8.229624743062276,8.986358586188405,9.731500695578942,10.462676462675663,11.176620579634836,11.86979956417682,12.538924954936853,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_65,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177611982739659,0.9183633309830704,2.271409400319921,4.400849775544582,6.580009569189288,8.050398346365895,8.825399397900274,9.187590844957905,9.323402474984308,3.621617740898688,0.7179038452161437,0.0236163632611771,14.17936635108554,6.540856785223921,8.411855968360923,1.899362454680453,2.0849538952343454,4.58804946406573,0.4169907790468691,5.420880127609298,0.145946772666404,18.764585057109112,-2.0849538952343454,-4.58804946406573,-0.4169907790468691,-5.420880127609298,-0.145946772666404,-18.764585057109112,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.887701774519025,10.65834194968833,11.39636179226794,12.100853751909629,12.771268639353616,13.407379447467015,14.009284450653618,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_66,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2264080053124822,0.9446771589543556,2.262361937197131,4.268706948932376,6.3287828862410445,7.730870546254172,8.473570181264837,8.82147345344332,8.952054368971957,3.536049517370084,0.741911775415752,0.0239065539631982,12.959014754724825,6.36173716223338,7.423376000319637,1.845726390567051,2.4768471037916577,5.401161980617055,0.4471969586695844,6.054422773148334,0.2745414676517851,21.328174692349982,-1.9951224829041856,-4.43963963732566,-0.4471969586695844,-5.572698152260862,-0.0384964034169236,-21.328174692349982,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.551599068397882,10.314300091313823,11.052294050918247,11.762585143812734,12.442861743001378,13.091492952553596,13.707506298059206,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_67,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2143145520225356,0.9071138852154296,2.2340179474217186,4.3174082214030856,6.517085273251876,8.051564989639198,8.87603503543222,9.264885889463274,9.411260528347029,3.5505524472766283,0.70952099950493,0.0228033987453069,13.81326924290596,6.183987807938895,8.23896969574984,1.7902027067709965,1.9541282416096235,4.300160810330541,0.3908256483219248,5.080733428185022,0.1367889769126735,17.58715417448661,-1.9541282416096235,-4.300160810330541,-0.3908256483219248,-5.080733428185022,-0.1367889769126735,-17.58715417448661,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,10.228292319083993,10.982971673346862,11.705141023465876,12.394836343016356,13.051808727589028,13.675803823043768,14.266754450283551,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_68,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2268913826045326,0.937846927645976,2.149939053910055,3.871264080594464,5.626284035865233,6.8347376011422165,7.480468311073922,7.784299170897258,7.898559404143432,3.24856728697272,0.7399384445976074,0.0238472150716493,11.014563258452796,5.392416707198116,6.493491041595028,1.693356432120907,2.531325772469114,5.515396620803638,0.4525698882976318,6.1518848788501685,0.2899528630848388,21.708026628298207,-1.9943731105072044,-4.443639107527666,-0.4525698882976318,-5.614932216888258,-0.026846058723503,-21.708026628298207,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.684975762089245,10.418343096596216,11.133282631274287,11.82526903087572,12.490903920798424,13.127773187885518,13.73432489119642,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_69,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174377753837811,0.9205639009431869,2.333273456003897,4.4857273607413095,6.554447527854484,7.903724996627614,8.604651574467269,8.930254441665124,9.052052090187036,3.716298725371885,0.7175171212576796,0.0237498982202192,14.439418207409418,6.922462611857321,8.384816865470818,1.960680555131009,2.126873422448376,4.680295563515619,0.4253746844896752,5.529870898365778,0.1488811395713861,19.14186080203539,-2.126873422448376,-4.680295563515619,-0.4253746844896752,-5.529870898365778,-0.1488811395713861,-19.14186080203539,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,10.09730383215107,10.837324354013854,11.552343553116083,12.23932746544635,12.896137975187498,13.5214122656748,14.114456872722142,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_70,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.102736222526382,0.7458092659781587,2.3367726899375474,4.671197454281444,6.813507350170216,8.186893792052466,8.896678964073512,9.22586832081144,9.348941491693637,3.853734328022483,0.5348385911951663,0.003662007953169,15.809029091102117,7.2357854414440546,9.280225987970043,1.970005284317856,1.3961572244932117,3.0723165726729857,0.2792314448986423,3.630008783682351,0.0977310057145247,12.565415020438904,-1.3961572244932117,-3.0723165726729857,-0.2792314448986423,-3.630008783682351,-0.0977310057145247,-12.565415020438904,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,8.226971343096801,8.985478164950793,9.731717580846118,10.46349812916702,11.17770162942137,11.870905873584146,12.539903079982402,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_71,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168587300923765,0.9160763800753062,2.2574471650157406,4.336859217370432,6.462058375390517,7.9034435397080145,8.666007906548694,9.023064550216615,9.157061023475425,3.5780619011086894,0.7161677230471312,0.0233434238522063,14.10142031127725,6.451251352947485,8.330896474057095,1.8570793310858007,2.179769153570656,4.796695370428214,0.4359538307141311,5.667399799283705,0.1525838407499457,19.61792238213589,-2.179769153570656,-4.796695370428214,-0.4359538307141311,-5.667399799283705,-0.1525838407499457,-19.61792238213589,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.996042730584715,10.75146567183751,11.477096927949717,12.171313044721582,12.833075698321014,13.461818530877368,14.057397926576776,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_72,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.224928407074983,0.9407339612789096,2.2787300896375524,4.341979950013691,6.418233203445027,7.806615500088361,8.53560010506993,8.87575194035082,9.003220042610105,3.59176690842805,0.7383644130651621,0.0236824626311895,13.37836416671438,6.590389262644411,7.553871585182792,1.8659696949058528,2.1332168280572543,4.647369142906697,0.3808013161488691,5.179627357248207,0.2455934818354293,18.28211046326365,-1.6747963334314369,-3.732361835633565,-0.3808013161488691,-4.72120686262239,-0.0209674394687787,-18.28211046326365,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.648845921166831,10.4098961557697,11.146346764895725,11.854930340691462,12.53321878976272,13.179563960800744,13.793031477600898,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_73,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2146870457648424,0.907318418812531,2.255230292909349,4.399130487915386,6.619950696233508,8.144171858212667,8.956625780178692,9.338473094719824,9.482006489687029,3.613186186041631,0.7098274139807843,0.0228795078249254,14.203600970305729,6.52931669549407,8.358901432832585,1.837204898074318,2.097492162045716,4.615640572174024,0.4194984324091432,5.453479621318862,0.1468244513431999,18.877429458411445,-2.097492162045716,-4.615640572174024,-0.4194984324091432,-5.453479621318862,-0.1468244513431999,-18.877429458411445,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,10.13971294407028,10.902891286036237,11.632138097525871,12.32786003958108,12.990051145315654,13.61861425926505,14.213586645281556,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_74,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2269207764871399,0.93791807462804,2.150771379323112,3.875863156887276,5.636293623018803,6.848670106247004,7.496486027901525,7.801289857468267,7.915914333626648,3.251517738438217,0.739993882767734,0.0238513874055933,11.047409811585702,5.400163019183864,6.513568323273327,1.6942164108851478,2.521574920645336,5.494244280758266,0.450917848909007,6.128917711917392,0.2886442284072994,21.62623158140682,-1.9876035684447348,-4.428437461765867,-0.450917848909007,-5.594946359716792,-0.0269982658290051,-21.62623158140682,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.454869086099055,10.191511312726284,10.90924972962154,11.603667619415395,12.271439839390746,12.910204132601727,13.518447008513098,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_75,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217506053768157,0.9204360312334996,2.330317749906898,4.478551281226532,6.543832286626778,7.890739428544651,8.590339256050553,8.91529956314241,9.036852352800857,3.710490512574332,0.7175578663431342,0.0237528432678017,14.40873903092552,6.8954536551558965,8.379874607026284,1.95624720484744,2.1238582227428418,4.673660459773205,0.4247716445485683,5.522031379131388,0.1486700755919987,19.11472400468557,-2.1238582227428418,-4.673660459773205,-0.4247716445485683,-5.522031379131388,-0.1486700755919987,-19.11472400468557,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.966489772086792,10.708420797014526,11.424939347680729,12.113110834219702,12.770870798143417,13.39691215864908,13.990583922213624,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_76,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.102824527062627,0.7459562048686426,2.3335244851056696,4.65736264083769,6.786481947167348,8.150163827161874,8.854632521348872,9.181295569784414,9.303415016066488,3.844141646742965,0.5350563941839995,0.0036677184574378,15.709856014365291,7.189110326488703,9.237389502067694,1.9653649682702123,1.3901206936046009,3.0590328725529914,0.2780241387209201,3.614313803371962,0.0973084485523219,12.511086242441408,-1.3901206936046009,-3.0590328725529914,-0.2780241387209201,-3.614313803371962,-0.0973084485523219,-12.511086242441408,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,8.199824916029883,8.95947979276096,9.70671403021958,10.439363404303764,11.154334066944095,11.848224616583012,12.517844238620723,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_77,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168717507007311,0.9159895039113926,2.2543270865462874,4.324358280657388,6.439638395852022,7.874684320033257,8.63402580574189,8.98960251021875,9.123048194005971,3.569171835782563,0.7161558642975581,0.0233470355431126,14.001744875043787,6.409759727527553,8.27745434631556,1.8524509948925776,2.171214144089979,4.777869627205493,0.4342428288179958,5.645156774633946,0.1519849900862983,19.54092729680981,-2.171214144089979,-4.777869627205493,-0.4342428288179958,-5.645156774633946,-0.1519849900862983,-19.54092729680981,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,10.014703976379115,10.769786511135589,11.495064690938957,12.188933184896504,12.850361263170678,13.478785183163437,14.074061781703508,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_78,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2248706180120586,0.9409234388654796,2.279787652895349,4.34138274320894,6.41393462674812,7.799319755531261,8.526630796659324,8.865983857457039,8.993150050575984,3.5921092443019127,0.7384111546449361,0.0236681864449406,13.351784742723774,6.587066909345214,7.537940433223894,1.86674569295555,2.129937275192002,4.640328987760396,0.3803181454859004,5.172482439079205,0.24500115932369,18.256049285678017,-1.673244179667002,-3.728769569092496,-0.3803181454859004,-4.715789343554204,-0.0212215425164399,-18.256049285678017,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.596738725475287,10.359150090832657,11.096712298579233,11.806205844585564,12.48523925375352,13.132193473509211,13.74615784250038,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_79,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.214679061503106,0.907403565275076,2.2541644961718674,4.386590360069538,6.587976030430719,8.096808030654037,8.900677928626443,9.278424921052316,9.420407730013167,3.606023710975681,0.7098665331374544,0.0228711309456841,14.092871119374252,6.489466977186647,8.296019575616357,1.8355371539066807,2.0824727092055992,4.582589485187799,0.4164945418411198,5.414429043934557,0.1457730896443917,18.742254382850387,-2.0824727092055992,-4.582589485187799,-0.4164945418411198,-5.414429043934557,-0.1457730896443917,-18.742254382850387,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,10.153368967683184,10.91591786404546,11.64451365066359,12.33958447211968,13.001140116355868,13.62909555551538,14.223496954148592,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_80,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2251371140276931,0.9331699527767708,2.140225699591238,3.845962833015158,5.588211149066704,6.79159117983106,7.435804334536368,7.739191426967294,7.853328054363916,3.2290527979669794,0.7357676254200055,0.023685818286668,10.499746611392752,5.276580138232211,6.134168760529783,1.6676019524910106,2.373264265321979,5.169615516762251,0.4229536188153433,5.756893215844725,0.2746968904955486,20.32539370291676,-1.8562719228314544,-4.137698801151164,-0.4229536188153433,-5.2399008733542,-0.0213706426751914,-20.32539370291676,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.674210981146285,10.410716412502316,11.129682977764936,11.82596462114089,12.49573234842787,13.136301648915222,13.745974262493412,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_81,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166185976178334,0.911728841736274,2.2352999385690944,4.22796238365666,6.189728058148022,7.494748818776437,8.179864430515616,8.499687169202613,8.619569846788986,3.510999564182584,0.7134496536354035,0.0234797078809184,12.878805359875564,6.073343995442974,7.631328555023424,1.8193459324733785,2.297851286293616,5.056541243755991,0.4595702572587232,5.974413344363403,0.1608495900405529,20.680661576642542,-2.297851286293616,-5.056541243755991,-0.4595702572587232,-5.974413344363403,-0.1608495900405529,-20.680661576642542,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,10.090304392978734,10.83092770195898,11.547087472302056,12.235647942736016,12.894336283096548,13.521658290525624,14.11680996667542,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_82,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.103270116986136,0.7450700265762206,2.2795904322124527,4.512382069757212,6.639438818568313,8.049394859957017,8.791097922017567,9.137885546310144,9.267975691812618,3.7234022123116266,0.5357979841741395,0.0036903601192043,14.742294873386584,6.582324704513537,8.967837428382419,1.894170237599467,1.0850201020934305,2.387643155701902,0.217004020418686,2.821052265442919,0.07595140714654,9.765180918840873,-1.0850201020934305,-2.387643155701902,-0.217004020418686,-2.821052265442919,-0.07595140714654,-9.765180918840873,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,8.243320487956897,8.997376572564793,9.74017287514848,10.469301771982671,11.181472216951672,11.873125579225777,12.540947463199036,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_83,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178053891110251,0.9187924379507666,2.2751972247138808,4.413997935933108,6.603869750106819,8.081591857802119,8.860463848236055,9.224464508603946,9.360954524665804,3.631094067808706,0.7181508952199961,0.0236192101305877,14.250191162434746,6.575377217414846,8.444335448435265,1.9055387574659648,2.077226479888916,4.571044884772514,0.4154452959777832,5.400788847711182,0.1454058535922239,18.695038319000243,-2.077226479888916,-4.571044884772514,-0.4154452959777832,-5.400788847711182,-0.1454058535922239,-18.695038319000243,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.879998358063563,10.648727475994342,11.385048992577406,12.088037188262051,12.757125630240548,13.392069970648182,13.99295133373088,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_84,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2266092985987884,0.945015582480206,2.2619701738450577,4.270627914161539,6.33832632635289,7.747489787904358,8.494351434642565,8.844282984646718,8.975636837330113,3.536430585847412,0.7422779226435205,0.0239346725822666,12.99842688466193,6.357426701323792,7.463720226135571,1.8454235318322807,2.484689040166401,5.417907487583998,0.4482656375023105,6.0708141401848845,0.2761397909266839,21.38875795087821,-1.9979673348567053,-4.446410963785847,-0.4482656375023105,-5.584092434875189,-0.0376461553249331,-21.38875795087821,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.558345840008004,10.320568898096,11.057984215597813,11.767671746412791,12.447370592838013,13.09548035992959,13.711044105001283,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_85,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2141848185089448,0.9069863501024584,2.235444411993796,4.325364683608331,6.535780939362504,8.07916979446488,8.908763730247022,9.30009901098847,9.447419198693316,3.555585491530864,0.7093411670594372,0.0227732022858781,13.855039005763016,6.204547606916598,8.25597876127981,1.7922090286755792,1.9670974268813963,4.328700176918711,0.3934194853762792,5.114453309891632,0.1376968198816976,17.703876841932566,-1.9670974268813963,-4.328700176918711,-0.3934194853762792,-5.114453309891632,-0.1376968198816976,-17.703876841932566,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,10.21668235590623,10.967782841101805,11.686792048741118,12.373688885334918,13.028182748724362,13.649985071617266,14.23899834225432,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_86,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2293437934816683,0.9542683052002456,2.292000285985852,4.274801936130223,6.24988454628243,7.579183505155734,8.281272930236133,8.609908347596935,8.733232038789533,3.5600334577552983,0.7492782518427761,0.024282790178961,13.017773732154746,6.543769280801559,7.377058545261373,1.8663802624150168,2.40460549607914,5.239542223720501,0.430159229483495,5.845879331947099,0.2749223111634384,20.6262120700656,-1.896986798755812,-4.226335303863139,-0.430159229483495,-5.338260634623772,-0.0261891494750078,-20.6262120700656,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.41821353640488,10.139833550552154,10.849523609158512,11.542207391555284,12.21336788270399,12.859343108510007,13.477430548271746,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_87,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2192617241342538,0.9258761852835236,2.3298153732700024,4.585660777044173,6.890132134852146,8.443504976634358,9.262344806995149,9.64510272365488,9.78864241233525,3.760028225280453,0.7233252586804154,0.0235098113662461,16.652355480381786,7.350439176928251,9.64246370746532,1.956398738472719,1.8622091305701087,4.097335108719718,0.3719012125051626,4.837418830611411,0.1314899277185116,16.7490699029538,-1.856802994481518,-4.0865444610868895,-0.3719012125051626,-4.83201269452282,-0.128840921035102,-16.7490699029538,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.79300309615617,10.535584380153198,11.25552033283673,11.949962568619162,12.61637735288317,13.25281386943112,13.85799302475065,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_88,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005434281556286,0.7464839763818414,2.47060632364797,5.236853517366686,7.855663182159801,9.53072401123402,10.390917636888664,10.788295166327536,10.936590650322715,4.2491399713531175,0.5316046412755406,0.0035750880800876,21.554767951155625,9.042171894082372,12.533404454522326,2.188293625184786,1.2530945305027197,2.75749967528682,0.2506189061005439,3.2580457793070705,0.0877166171351902,11.277850774524474,-1.2530945305027197,-2.75749967528682,-0.2506189061005439,-3.2580457793070705,-0.0877166171351902,-11.277850774524474,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.799472428922997,8.577837493275728,9.346190568982305,10.101182029627052,10.838761997733164,11.55483606402778,12.24575468776735,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_89,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2176373034641542,0.9298363098287156,2.340666980139832,4.430501277710103,6.447945135235316,7.779963265900354,8.477279198590923,8.802424859570293,8.924247136096765,3.685275967380764,0.7237084429296976,0.0231939151010554,14.4539684483582,7.080117191320068,8.19548725414723,1.9646573739850084,2.228739560284144,4.904457296862393,0.4457479120568287,5.794722856738774,0.1560117692198899,20.05865604255729,-2.228739560284144,-4.904457296862393,-0.4457479120568287,-5.794722856738774,-0.1560117692198899,-20.05865604255729,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.69725434690948,10.46683323627798,11.208369173577855,11.92033129760867,12.601136928354691,13.249503508437511,13.864625826496365,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_90,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2239190163609212,0.932184036388672,2.182125106151801,3.98814198046836,5.791966311712463,7.010531219758233,7.655145501255975,7.957059488369802,8.07038153599139,3.337546432834362,0.73375869087393,0.0233973760239357,11.497696179497831,5.739584743855514,6.708092655537294,1.751602033274813,2.388036959398381,5.200615020226811,0.4244331507564253,5.783502165449783,0.2788284935167136,20.42884781212041,-1.856294548165872,-4.139257167406722,-0.4244331507564253,-5.251759754217273,-0.0182747120127837,-20.42884781212041,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.62997760518324,10.359797411920704,11.075660183738442,11.77264190372651,12.44631679742883,13.093125759067105,13.710506951710263,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_91,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.192641827231772,0.9784424003595498,2.8417978034280265,5.66707013836646,8.252153853879912,9.881113543964616,10.712832534211053,11.096192820993377,11.239132717037943,4.673210008323045,0.7316431817099465,0.0201033798104918,23.71084317052172,11.72685688534042,12.47759738701046,2.608192012847125,1.7520863069890364,3.8555570270173374,0.3504172613978073,4.555424398171495,0.1226460414892324,15.768776762901329,-1.7520863069890364,-3.8555570270173374,-0.3504172613978073,-4.555424398171495,-0.1226460414892324,-15.768776762901329,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.449157604877064,8.441144823830745,9.41376843918488,10.352427590141936,11.247161174668872,12.091934601090102,12.883801893320143,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_92,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1899083823516925,0.971030650815482,2.819943831033753,5.620404222364183,8.224324580300875,9.8925426193277,10.752575956840364,11.150830667741491,11.299617717186658,4.631763527313455,0.7252237191021247,0.0196646761516869,23.49108483205562,11.521804521285956,12.480244039692035,2.5240113730688374,1.728700468905044,3.804095274249932,0.3457400937810088,4.494621219153115,0.1210090328233529,15.558304220145398,-1.728700468905044,-3.804095274249932,-0.3457400937810088,-4.494621219153115,-0.1210090328233529,-15.558304220145398,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.418941617121178,8.419446692904192,9.401033610832148,10.34843882038978,11.251278924032318,12.103290480771005,12.901438949435526,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_93,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1010614546942113,0.7456281333307716,2.4094087527163346,4.987129856363948,7.416689449949228,8.982444526194538,9.791420457239566,10.16634270724654,10.306457103190136,4.071804539243837,0.5322725746616285,0.0036410440540354,19.36611106685645,8.204404342576968,11.514127652154189,2.076508289871634,0.9275487776746476,2.041119317809501,0.1855097555349295,2.411626821954084,0.0649284144372252,8.347938999071829,-0.9275487776746476,-2.041119317809501,-0.1855097555349295,-2.411626821954084,-0.0649284144372252,-8.347938999071829,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.808602326015331,8.57675362284009,9.335997718984396,10.082962008595684,10.81358277609858,11.523731257295829,12.20970001717117,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_94,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173402170156128,0.9158310972673104,2.2372800907861112,4.2685624367958495,6.341675726435984,7.750281287233076,8.496616766383639,8.846348390761442,8.977641057382163,3.5284303985574903,0.7171029663985451,0.023200652934073,13.869686081954812,6.306787552579419,8.24700914803286,1.828019104367713,1.832642602833205,4.032825344949816,0.3665285205666411,4.764870767366333,0.1282849821983242,16.493783425498847,-1.832642602833205,-4.032825344949816,-0.3665285205666411,-4.764870767366333,-0.1282849821983242,-16.493783425498847,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.909533141256857,10.62258993975174,11.321921995752676,12.002109226895405,12.65868342378766,13.288286526099256,13.88864352636542,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_95,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2269725289200624,0.9377146893876398,2.1484502546478828,3.859573905950059,5.600337583021148,6.795252570838218,7.4323580062470365,7.731795633885592,7.844348838900118,3.240886975071024,0.7395820549844098,0.0239318333838842,10.551448746862825,5.266033569213722,6.369313338229929,1.7045693491749068,2.4035922330351243,5.233281185247228,0.4260149870048877,5.811712129074227,0.2831287214769467,20.538260905273383,-1.8565576370137529,-4.14140013158857,-0.4260149870048877,-5.264677533052855,-0.0150817694264744,-20.538260905273383,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.491303159977576,10.193415072795444,10.891702487133529,11.578097875578363,12.246062225165256,12.890589031823565,13.5081032316089,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_96,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.227350577004801,0.940803128201957,2.167098393706584,3.877474288899251,5.582871962282565,6.743147419197302,7.359779252459764,7.649237335183067,7.757988089090488,3.264070224256548,0.7415398778701772,0.0238722104217241,10.304643524607313,5.244621204857696,6.0980621790123655,1.7129266700664627,2.304776596496947,5.015041419962197,0.4054786395188416,5.54860571264768,0.2778353892939364,19.633455772861566,-1.7500097986914698,-3.907726891542464,-0.4054786395188416,-4.993838914842204,-0.0059996583692524,-19.633455772861566,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.568624558554262,10.256255214371626,10.940264264878271,11.613417246366268,12.269583220235742,12.903902335531608,13.512791485286035,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_97,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173717911976878,0.9183808419535706,2.2395850571423006,4.22292186954022,6.211690267341653,7.552421552091893,8.260601686546133,8.592045755212713,8.716413215601012,3.505690942031882,0.7184758633441652,0.023219184570439,13.430562533385531,6.148779076148509,7.943040606069882,1.8150924311715384,1.824124764303945,4.014081398338576,0.364824952860789,4.742724387190259,0.127688733501276,16.41712287873551,-1.824124764303945,-4.014081398338576,-0.364824952860789,-4.742724387190259,-0.127688733501276,-16.41712287873551,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.929268419878008,10.644268482470611,11.343784813243593,12.023161311084502,12.67846270229903,13.306672448204813,13.90571592449276,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_98,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2284651223392992,0.9487259959385642,2.289543800800673,4.31715647057122,6.344581386722954,7.708084538322004,8.427839042417697,8.764664029486589,8.891049471928058,3.583969388368748,0.7453998383483845,0.0242352756098873,13.437960572443384,6.549584893635525,7.647458426496653,1.884774093911796,2.347959070347331,5.11319297202282,0.4170627949359072,5.683222200552544,0.2744508838674599,20.07733356260867,-1.822016653073824,-4.063055446103049,-0.4169323497483236,-5.158845125530042,-0.0175061171064331,-20.07433332329424,24.0,53.3693,2.0,1.0,0.4900000000000002,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1869,9.459411938425776,10.190486811606878,10.908218527937736,11.607320852319784,12.283277895067474,12.932554859402217,13.552638788968908,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_99,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2191591355257316,0.92876750665296,2.369161747815741,4.699980122562531,7.036489004832881,8.58658203251581,9.397038128558773,9.77448244406714,9.915813479983528,3.850847763719288,0.7246734860658359,0.023370781478241,17.415247483648972,7.749950353504931,9.898658257145488,1.9982835176534983,1.914933322669739,4.213910353067539,0.3829866645339478,4.978826638941321,0.1340453325868815,17.234399904027647,-1.914933322669739,-4.213910353067539,-0.3829866645339478,-4.978826638941321,-0.1340453325868815,-17.234399904027647,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.76943141878398,10.50588348548982,11.221381134827608,11.91283263954589,12.577432208169096,13.212973888048229,13.81795901218804,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_100,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.100606931583255,0.7506954442223119,2.4996153386032995,5.246756389886536,7.790240921260786,9.399023712595351,10.221292163589384,10.60040911700905,10.74177998358334,4.274696644244235,0.5334439697098283,0.0035827813689582,21.2915779233343,9.231912924602677,12.231247238446796,2.223343170119858,1.4057926385234571,3.093519802288071,0.2811585277046914,3.655060860160989,0.0984054846966419,12.652133746711112,-1.4057926385234571,-3.093519802288071,-0.2811585277046914,-3.655060860160989,-0.0984054846966419,-12.652133746711112,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.769553192187577,8.554072326789953,9.328819348038946,10.090146539403763,10.83376990111124,11.55543395388489,12.251394915455576,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_101,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173145582525265,0.9236825405050274,2.3063951127647497,4.361749973423625,6.356736987349608,7.678620475383587,8.3718700887418,8.695380024190541,8.816629806753271,3.6273760586280126,0.7203849316462455,0.0231921181146333,14.10661242408714,6.848965386956479,8.048613213348084,1.932465966802632,2.322536249811648,5.110861789595521,0.4645072499623295,6.038594249510283,0.1625775374868151,20.90282624830483,-2.322536249811648,-5.110861789595521,-0.4645072499623295,-6.038594249510283,-0.1625775374868151,-20.90282624830483,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.81468524709793,10.57252563739164,11.304990218880029,12.009878682157746,12.68506367447769,13.32884981144689,13.940132197265015,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_102,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2242899452760385,0.934052791880993,2.208360380097726,4.104291827546119,6.0024129786394615,7.277844287546282,7.950233723538227,8.264647371386092,8.382581042626082,3.4184582863066257,0.7350017286855505,0.0234240801159172,12.125657328670352,5.933754466468856,7.122538701679813,1.787465167968046,2.2224155936325305,4.830436165787376,0.3857157504173444,5.308141596971286,0.2789805650035167,18.826392976509545,-1.6347419105409131,-3.6574394943365074,-0.3857157504173444,-4.720467913879668,0.0089795397113759,-18.826392976509545,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.541345672659403,10.276822008578009,10.997498276881954,11.698797773525497,12.376486562127344,13.027097834088888,13.648105935151216,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_103,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1930199416868692,0.9775808964441208,2.823015854454251,5.606008302403156,8.14963855195006,9.753243438951046,10.572424941902698,10.950110545853011,11.09095194842348,4.627852615764724,0.7316608136958183,0.0202057040854889,23.28154639720937,11.56382302443129,12.295404736703636,2.6018339236846693,1.7837077372730832,3.9251416286717578,0.3567415474546165,4.637640116910016,0.1248595416091156,16.05336963545775,-1.7837077372730832,-3.9251416286717578,-0.3567415474546165,-4.637640116910016,-0.1248595416091156,-16.05336963545775,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.41430497868285,8.411998179933217,9.389731211467652,10.332922857008956,11.231643774998044,12.07989765424962,12.87478082753615,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_104,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1899037766999401,0.9704821572827812,2.803211290581028,5.530966205540149,8.027238864955066,9.614407201544845,10.430233937943536,10.807580258390354,10.948492760627966,4.574284462474332,0.7252452809654882,0.0196098148104023,22.80888397844749,11.353403515830143,12.066854156690187,2.502664166733976,1.818310888196288,4.001287661642119,0.3636621776392575,4.727608309310349,0.12728176217374,16.36479799376659,-1.818310888196288,-4.001287661642119,-0.3636621776392575,-4.727608309310349,-0.12728176217374,-16.36479799376659,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.3685737094016,8.362781445710263,9.340004760135589,10.284902837270243,11.186827770830094,12.039189589990936,12.838635659306584,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_105,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1002791637724007,0.7423055838611322,2.4037127922176347,4.937708041389739,7.2961847269229105,8.811338753828288,9.594019699940636,9.956827301305053,10.092432267026114,4.043347814832355,0.5293710767358208,0.0035936104082423,19.105230450775725,8.106489104757124,11.358198650996508,2.047017155916913,1.3358539389369763,2.939616057035641,0.2671707877873953,3.4732202412361395,0.0935097757255882,12.022685450432787,-1.3358539389369763,-2.939616057035641,-0.2671707877873953,-3.4732202412361395,-0.0935097757255882,-12.022685450432787,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.864884580054032,8.627712894105121,9.382423195598426,10.12566675825298,10.85328698767394,11.561020967621095,12.245026413383655,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_106,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175176383731752,0.9182885099399252,2.2627158436379102,4.348582411071754,6.464937326779739,7.894562147871661,8.649848187051113,9.003328307940546,9.135960223591333,3.589173183276296,0.7184158887296128,0.0232299668479637,14.53194561534099,6.421788752968382,8.704981555826649,1.8561720231457928,1.9346271437411693,4.257247630413917,0.3869254287482339,5.030030573727039,0.1354239000618817,17.411644293670523,-1.9346271437411693,-4.257247630413917,-0.3869254287482339,-5.030030573727039,-0.1354239000618817,-17.411644293670523,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.874979241144374,10.594555508273542,11.297143267284596,11.978556318680402,12.635173982630524,13.264197471602978,13.863706977167263,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_107,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2267327340287365,0.9376793704896224,2.1301147571503423,3.752590652948782,5.383342770428827,6.5061847097994985,7.107035714698396,7.3900020416913215,7.496459477179049,3.170976632904252,0.7395879487681801,0.0238432267989653,9.920148323053358,4.996100521235743,6.019647581275732,1.6705542023745883,2.464698222001436,5.365403398255523,0.4359436692290046,5.952247575833472,0.2922204233997938,21.042364494587275,-1.89473847028861,-4.227763733836722,-0.4359436692290046,-5.382287824120647,-0.012940145060509,-21.042364494587275,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.519593065490753,10.21000375936399,10.897690999956398,11.57475180723488,12.234658468470712,12.872334046735435,13.484094082806095,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_108,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2262739350320708,0.937543181729182,2.1524236667646943,3.810073006588965,5.433081642653791,6.529535425503006,7.110943968800471,7.383663192713079,7.486098000878393,3.220273232568828,0.7389084302584957,0.0237550262844141,9.809963831692269,5.172807598236404,5.773598539346703,1.6928460149242437,2.316950409252573,5.040789325922073,0.4068953704231066,5.572113372637426,0.2808254226452372,19.722659454725,-1.7520032949784925,-3.9131548858310072,-0.4068953704231066,-5.007166258363346,-0.0040013366509371,-19.722659454725,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.558015961840924,10.251468679018195,10.94133856220609,11.619984114288451,12.28102053227556,12.919459476416296,13.531680816939614,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_109,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165746046005024,0.914064705843436,2.236921736595336,4.232611332857577,6.185251272111751,7.472964862782096,8.145301380937132,8.45831130067177,8.575503862775705,3.5149748265905227,0.7154665450366802,0.0231433186629325,13.481924378151655,6.238582973325976,7.93119855445899,1.8133980374195453,1.926095456479496,4.238473208946867,0.3852190912958991,5.007848186846688,0.1348266819535645,17.334859108315463,-1.926095456479496,-4.238473208946867,-0.3852190912958991,-5.007848186846688,-0.1348266819535645,-17.334859108315463,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.893329487833038,10.619243640145642,11.327779093051497,12.014549825397658,12.675847534629954,13.30885667177452,13.911683344589262,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_110,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2284738418133209,0.9483969441562758,2.286188022158598,4.306774605412134,6.326390674629825,7.684612235970914,8.40160528538313,8.737146587332163,8.863051887564088,3.5762930720650674,0.7452655746227393,0.024236383486088,13.369153188390136,6.512373664356778,7.618639153413575,1.8804114367704865,2.35183239584417,5.121652735891191,0.4176811494777808,5.690973650465335,0.2748629629971663,20.105861145173225,-1.8237643930383327,-4.06696512907778,-0.4174382082987197,-5.165820941808233,-0.017538135755186,-20.10027349805481,24.0,53.3693,2.0,1.0,0.4900000000000002,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1869,9.47734450881871,10.206935104332404,10.9234562546179,11.621576524577256,12.29674040890728,12.945379523625736,13.56495287327948,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_111,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.219129083236225,0.9284922250047756,2.366194919649629,4.690989000651698,7.022220044493047,8.569236793814325,9.378187355720762,9.754950826339496,9.896029982388528,3.84399934868488,0.7245246766070231,0.0233680606827628,17.345997887624584,7.714528400708688,9.87008009022423,1.993738349957336,1.904212585301988,4.190318813011458,0.3808425170603974,4.950952721785166,0.1332948809711389,17.13791326771788,-1.904212585301988,-4.190318813011458,-0.3808425170603974,-4.950952721785166,-0.1332948809711389,-17.13791326771788,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.790171507374753,10.526343975203446,11.24170816195953,11.933135930500503,12.59779185900181,13.233446615786596,13.838583521124946,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_112,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005447380558607,0.7501366926574378,2.496995592933135,5.243042874943089,7.787141379599721,9.396777289036894,10.21958896560003,10.59897856321002,10.74045455533158,4.271092042744359,0.5331025407075184,0.0035790272316875,21.264031035858075,9.210498834606891,12.22163132205129,2.219931837752389,1.3993568599859805,3.079357536955869,0.279871371997196,3.638327835963549,0.0979549801990185,12.594211739873824,-1.3993568599859805,-3.079357536955869,-0.279871371997196,-3.638327835963549,-0.0979549801990185,-12.594211739873824,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.763120601075125,8.547893538835263,9.322919721332688,10.084530717898854,10.82842725821482,11.550343994296124,12.246531759402986,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_113,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217282533930189,0.923824661114614,2.3080100060367514,4.367538735563602,6.366432382385928,7.6901037352926975,8.383994629120721,8.707733896618528,8.829058277522863,3.6315473896042345,0.7204206146569904,0.023189604639085,14.130085275635482,6.861703806139349,8.065149101809569,1.9336375778233448,2.314092587711077,5.092281072072788,0.4628185175422154,6.016640728048801,0.1619864811397752,20.82683328939969,-2.314092587711077,-5.092281072072788,-0.4628185175422154,-6.016640728048801,-0.1619864811397752,-20.82683328939969,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.79959693883966,10.55729371942935,11.289581283650724,11.994266747081104,12.669227269976467,13.312770919721672,13.92379604653324,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_114,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2243690854963193,0.9342438116977604,2.207977071148012,4.102328623446546,5.9986080090080085,7.272394656382627,7.943748666237328,8.257635876660943,8.37536503156049,3.417070679688809,0.7351797324611459,0.0234330921849637,12.113634798882666,5.924825239196773,7.122881856598109,1.786877848701513,2.229157425162138,4.844913797768273,0.3867139672500351,5.3228691631624185,0.2801878071043738,18.88006647081139,-1.637982247338213,-3.664928142831719,-0.3867139672500351,-4.731693985338493,0.0094880300293495,-18.88006647081139,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.537641405678531,10.27285648374927,10.993194132624502,11.694113965769407,12.371409068978712,13.02163133101773,13.64226709254415,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_115,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1929558017402596,0.97719336527061,2.8206214023692,5.60037826704388,8.142091414036424,9.744889428621308,10.56374340978184,10.94129344637404,11.082086526985512,4.62322921927221,0.7314040097667555,0.0202013844296715,23.231220398645057,11.53947834898033,12.270186249694625,2.597280142430031,1.7855643817993023,3.929227271497218,0.3571128763598605,4.642467392678186,0.124989506725951,16.070079436193723,-1.7855643817993023,-3.929227271497218,-0.3571128763598605,-4.642467392678186,-0.124989506725951,-16.070079436193723,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.417001980098514,8.41475719936364,9.39237447923234,10.335319976791268,11.233703680283304,12.08156064334583,12.876011407124572,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_116,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1897506900506939,0.9700319833811868,2.8028814403843865,5.531258089674402,8.027801057564272,9.614737523517384,10.43028607120454,10.807463955366114,10.948306911162572,4.574356642826644,0.7248466691217356,0.0195900799539836,22.79879898355584,11.347676483961864,12.062798974835683,2.5013547974672306,1.8173856610062664,3.999251651098661,0.3634771322012532,4.725202718616291,0.1272169962704385,16.356470949056394,-1.8173856610062664,-3.999251651098661,-0.3634771322012532,-4.725202718616291,-0.1272169962704385,-16.356470949056394,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.372915214466208,8.367059679321658,9.34426240050209,10.28915234641813,11.191062899840556,12.04339449376344,12.84279108204289,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_117,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1002017679939179,0.7417914303941726,2.400322603140515,4.928293361036573,7.280352341871614,8.791096989997001,9.571434824930853,9.933143661166891,10.06833606497866,4.0361821731029135,0.5290477739974961,0.0035890397320163,19.04382131675921,8.069828897538109,11.335015727988406,2.0418789418510808,1.3190058023394315,2.902540856349641,0.2638011604678863,3.4294150860825217,0.0923304061637601,11.871052221054883,-1.3190058023394315,-2.902540856349641,-0.2638011604678863,-3.4294150860825217,-0.0923304061637601,-11.871052221054883,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.882419935278426,8.645247673298114,9.39995826822386,10.143192092786196,10.870788506375808,11.57848430108028,12.262438794385025,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_118,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173930534222517,0.9179059650053316,2.259800193008868,4.338074465122875,6.445188840417693,7.868147787973533,8.619816997058232,8.971585596270716,9.103572471885972,3.581691781879358,0.718144233924457,0.0231998586654968,14.449346725405924,6.390791579099892,8.659252499259948,1.8514083998585409,1.9246531345131603,4.235299304459204,0.3849306269026321,5.004098149734217,0.1347257194159211,17.321878210618447,-1.9246531345131603,-4.235299304459204,-0.3849306269026321,-5.004098149734217,-0.1347257194159211,-17.321878210618447,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.927940169687522,10.646336230513676,11.34783786522451,12.028231306857856,12.683879703816515,13.311975474442244,13.910594550185508,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_119,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2266243510964668,0.937421140656703,2.127845414002507,3.74023331936116,5.3565615271173375,6.468588906750944,7.063501804446821,7.34364483615165,7.449036182071447,3.1629974921596653,0.7393768798626745,0.023820363131134,9.824935300441808,4.969749466733317,5.958812514324581,1.6669275895961726,2.4596124504878896,5.35419553307105,0.4349105184962487,5.938896598457879,0.2918980118969437,20.996272622364422,-1.8894927344745969,-4.216236579908519,-0.4349105184962487,-5.368776882444586,-0.01253935105043,-20.996272622364422,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.565199721442722,10.25535996460811,10.942870035233916,11.619818339862569,12.27966942122934,12.917338888368905,13.529135279259718,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_120,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2262588761750371,0.937319188864349,2.151155491206106,3.8070314354562,5.426081310043005,6.518181562938712,7.096759773105727,7.368034425465829,7.4699080042859265,3.2180103526478043,0.7387703908356397,0.0237650170647388,9.778769563022816,5.161324393432401,5.76020704426767,1.6911695995631455,2.3041943827369864,5.012979291998132,0.4045986390307658,5.540983494983114,0.2793981055765152,19.612944694300253,-1.7417920075706714,-3.890424151166167,-0.4045986390307658,-4.978581119816798,-0.0038209417450206,-19.612944694300253,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.603084527214136,10.298382863558304,10.989857976929478,11.669915262942332,12.332202416589288,12.971754666222,13.584969970953894,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_121,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165161457412258,0.9137696859425108,2.233102113549165,4.217904385959353,6.159388446544083,7.440349602376247,8.109394702288926,8.42092805214542,8.537576870350515,3.504446344646974,0.7152816883429146,0.0231371188455049,13.397586962884676,6.19371771503065,7.888924094787059,1.8067530676104264,1.922699914343276,4.2310011419079245,0.3845399828686552,4.999019777292517,0.1345889940040291,17.30429922908948,-1.922699914343276,-4.2310011419079245,-0.3845399828686552,-4.999019777292517,-0.1345889940040291,-17.30429922908948,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.91361307323085,10.64004493546496,11.349110853685897,12.036404632601212,12.698206205534447,13.331693875643948,13.934971110735216,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_122,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2294626970339172,0.9545548254443382,2.294749937480955,4.284108278078139,6.263881205831261,7.5948941008290385,8.29746622458913,8.62623549778746,8.749594914278344,3.567044290535605,0.7494930906775518,0.0243134573084945,13.074551744562504,6.565556082380238,7.403593435216418,1.872169966306625,2.4195939717537014,5.2726540205178,0.4332829333347123,5.8858574384314,0.275706886156418,20.76362852546276,-1.9132353615934208,-4.261962234637879,-0.4332829333347123,-5.379498828271119,-0.0275911671778802,-20.76362852546276,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.32100799199353,10.0424629955982,10.751990422268468,11.444516567867986,12.115526830787108,12.761360855149697,13.379316917802411,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_123,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2192503590549623,0.9262733449746924,2.333836805630884,4.593924913112563,6.898904321959549,8.451301951484849,9.26934814049663,9.651682890209472,9.795056223042645,3.767257009197036,0.7234897999988732,0.0235041253568483,16.690870189658707,7.386700403197096,9.643861918992329,1.9623223513250487,1.8613821923980247,4.095626384841774,0.3718443513779531,4.83613700342165,0.1312041363813305,16.743797989549186,-1.8570613213815064,-4.087001926292803,-0.3718443513779531,-4.831816132405131,-0.1290869095832364,-16.743797989549186,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.805009607656894,10.54602189000914,11.26472947230957,11.958216467692226,12.623891024556078,13.25975474719808,13.864490668305868,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_124,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1004628845668792,0.7463182202920281,2.474225241902725,5.247165355222934,7.868326586677178,9.543235632904508,10.402975582072417,10.800071494778663,10.948251191141845,4.257537775298911,0.5313734769739857,0.0035701873760255,21.609231770174144,9.0901751554287,12.543810764213331,2.1937250673821747,1.2729944155995918,2.801290407236513,0.2545988831199183,3.3097854805589386,0.0891096090919713,11.456949740396327,-1.2729944155995918,-2.801290407236513,-0.2545988831199183,-3.3097854805589386,-0.0891096090919713,-11.456949740396327,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.785275193681532,8.564246934325558,9.333235676973542,10.088847785194655,10.82700165943348,11.543583002499052,12.234932246677229,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_125,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217465314267345,0.9296373189626936,2.3433036228385298,4.43994605947735,6.462871221748246,7.797650009266511,8.496169413771344,8.821824749706678,8.943829963914903,3.692321123159177,0.7234229901068446,0.0231726032970478,14.516766362040832,7.118765596770161,8.2162878668838,1.967410745256044,2.239314830750164,4.927728729436935,0.4478629661500328,5.822218559950427,0.1567520381525113,20.153833476751483,-2.239314830750164,-4.927728729436935,-0.4478629661500328,-5.822218559950427,-0.1567520381525113,-20.153833476751483,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.581123762372004,10.35131610445204,11.09350010782658,11.806107044548286,12.487521514961674,13.1364376452015,13.752036490678524,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_126,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2237812448132955,0.9321202819695288,2.184915142901017,3.9982822776896265,5.808338243248878,7.030013027687186,7.675936922712814,7.978390030890233,8.091902663716747,3.345025048513239,0.7335969346696297,0.0233660894857976,11.559077159611313,5.768033208540896,6.738372077516618,1.7562498205635957,2.405743176850702,5.239784534128072,0.4281758703254624,5.831150139454402,0.2796448289733726,20.59223329076276,-1.8760155264039229,-4.1824481438363,-0.4281758703254624,-5.301422489007623,-0.0200782802544507,-20.59223329076276,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.43496003572548,10.164910074377772,10.880861591125496,11.577906644006749,12.251626780203516,12.898465277871242,13.515860539944992,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_127,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1925779026258018,0.9781072324520148,2.8419098425256064,5.669227285255421,8.25555685752736,9.884759606461833,10.716436576564153,11.099740396759108,11.242653326995551,4.674660826096047,0.7313807234530862,0.0201010500012444,23.72521192384834,11.736157084250523,12.47701067689322,2.607662932454448,1.7545218525582005,3.8609165716906535,0.3509043705116401,4.561756816651321,0.1228165296790738,15.790696673023804,-1.7545218525582005,-3.8609165716906535,-0.3509043705116401,-4.561756816651321,-0.1228165296790738,-15.790696673023804,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.4449777763552705,8.437015120765247,9.409603001104792,10.34816126208564,11.242745220009166,12.087333572937936,12.878991128409684,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_128,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1898344323598089,0.9707396097801532,2.8188374393615097,5.614599944557441,8.210995297861913,9.873399144448214,10.730229019972215,11.126962216260274,11.275175261363293,4.6281044126375575,0.7249844719670469,0.0196619001457649,23.426661374060224,11.502190267222764,12.441048293007604,2.520513136944017,1.7347112805779112,3.8173223778982814,0.3469422561155822,4.510249329502568,0.1214297896404536,15.6124015252012,-1.7347112805779112,-3.8173223778982814,-0.3469422561155822,-4.510249329502568,-0.1214297896404536,-15.6124015252012,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.397493175715127,8.398274262311968,9.38009709937953,10.32772251099023,11.230775723958994,12.082994338629709,12.881341920186426,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_129,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1008932796804705,0.7449919689418649,2.4058561817522763,4.972824944291704,7.388176104029069,8.943764528208513,9.747318832631343,10.119701881570329,10.258863810117733,4.062007119057316,0.5317837005576339,0.0036296274230948,19.262148061854425,8.154900402643433,11.465601799516838,2.069067791729761,0.9466210824042464,2.083088916126829,0.1893242164808493,2.461214814251041,0.0662634757682971,8.519589741638217,-0.9466210824042464,-2.083088916126829,-0.1893242164808493,-2.461214814251041,-0.0662634757682971,-8.519589741638217,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,7.81542520055146,8.583042186785864,9.341846873563489,10.088472898544774,10.818845748625442,11.52881976749029,12.214670187497852,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_130,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172718238713286,0.9152575981565853,2.232318248460303,4.253567750743181,6.318379623676269,7.722724156190777,8.467189691540694,8.816128009850146,8.947135823923327,3.516998965012152,0.716754332404031,0.0232047694983034,13.777458718990612,6.2503436733788735,8.208917735714765,1.819091918815391,1.8348880912344885,4.037766658942236,0.3669776182468977,4.77070903720967,0.128442166386414,16.5139928211104,-1.8348880912344885,-4.037766658942236,-0.3669776182468977,-4.77070903720967,-0.128442166386414,-16.5139928211104,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.912293160984015,10.626076078512773,11.325981118909889,12.006603151579842,12.663489629234633,13.293298335241552,13.89376974492346,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_131,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2268525154576707,0.937602722403256,2.147798892478032,3.854397637284815,5.589203306633995,6.780141247091417,7.415213858984186,7.713718393765694,7.825924547769713,3.237674546434061,0.7394443656522681,0.0238987138134793,10.51396075033747,5.240596469969049,6.35391999116084,1.7018728398369276,2.4075728806918955,5.242032491028454,0.4268029852237381,5.821996762481801,0.2834244425691785,20.573924107934243,-1.8604569715454864,-4.149989136372222,-0.4268029852237381,-5.274880853335392,-0.0153376470874379,-20.573924107934243,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.46869320987742,10.169890561781726,10.867573960244815,11.553593308825835,12.221347555660254,12.8657837588925,13.48329233296704,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_132,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2273811476262145,0.9408520684943938,2.168604522433884,3.885382108136425,5.594698219404995,6.755025894139888,7.370870822586637,7.659778637397251,7.768293980098587,3.269643463348705,0.7415926077891746,0.023877834144718,10.341714736220265,5.25916395792232,6.125285570529514,1.7152805469934425,2.299400477521292,5.002911231707562,0.4041103275206928,5.532283097686834,0.2780745461919777,19.57920893802031,-1.7417027976856372,-3.889746662755595,-0.4041103275206928,-4.974585417851181,-0.004802683072507,-19.57920893802031,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.585680682555637,10.272947171926916,10.956742457805866,11.629767093038174,12.285854487744691,12.920125186678254,13.52898519504494,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_133,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175051713042657,0.9185810732015534,2.24013495486788,4.223576966448764,6.209837048062718,7.547568239729562,8.253821209806611,8.58429176222509,8.708282844986424,3.506580299412376,0.7186736645457964,0.0232543611052415,13.440149493213084,6.149123014429957,7.949631802735535,1.8151757759474008,1.8284281057964653,4.023551125066622,0.365685621159293,4.75391307507081,0.1279899674057524,16.455852952168186,-1.8284281057964653,-4.023551125066622,-0.365685621159293,-4.75391307507081,-0.1279899674057524,-16.455852952168186,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1869,9.93804365892099,10.652852122093917,11.352213256157306,12.031467945783554,12.686681552623504,13.314838584974384,13.913864421738786,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_134,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0870632357187201,0.6127498564651532,1.9643044131350471,4.055769141393681,6.062962648629699,7.374138292540088,8.056134762607757,8.373154285523057,8.49177576722736,3.309224607804704,0.4381854191393531,0.0037338344296572,12.574318687622805,5.163541552211308,7.57370869415903,1.3073745828409242,6.354499495278185,13.95452717714866,0.6547590632465047,5.262851088879637,0.7400214203612919,23.550739313324605,1.73347722608423,4.110953453267328,0.048543260350227,-5.262851088879637,-0.7400214203612919,-0.6978928025265008,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1869,11.090266159329769,11.841681137629532,12.577231395191705,13.290743825817936,13.976610194452329,14.630500984028483,15.249546690450009,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_135,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.087237306473094,0.6185768360848294,2.012771451105703,4.174691600700212,6.230739682410379,7.564559418783467,8.255903469512745,8.5767600960356,8.696738667251553,3.405034548092482,0.4410387532595446,0.0037484380702172,13.250462735142962,5.566053372695072,7.897431513530864,1.3708454127010778,5.8791239765363965,12.912060939363034,0.5820714639594051,4.408879757999324,0.6917452718656963,20.920430685113978,1.9495852676237808,4.574314217724534,0.0986858616197406,-4.408879757999324,-0.6917452718656963,1.585006591527392,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1869,10.920907709522336,11.695706034685449,12.450721337952873,13.180509927197456,13.880061604566642,14.545530769914455,15.17443638432152,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_136,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0872252293481117,0.6192365542993258,2.018378377086477,4.187293156279067,6.247295938666955,7.582527739419196,8.274316834998308,8.595321376367027,8.715346262463548,3.415484787972797,0.4413184221072106,0.0037481060144434,13.30102802094201,5.605484660529287,7.916314901272671,1.378308534139205,5.876222745598254,12.9055060702131,0.5821424572127666,4.415353579176585,0.6915641485012463,20.9271843771634,1.9412329741154903,4.555732970029073,0.0976363010232111,-4.415353579176585,-0.6915641485012463,1.5469381295811864,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1869,10.727924322368796,11.50441872846798,12.260613926497555,12.99118236710626,13.69120759821206,14.35691913396593,14.985895375303292,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_137,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.087151418597763,0.6126444998940298,1.960729465343613,4.046180120098285,6.05064737607401,7.361757672811873,8.044197571068173,8.361525811579108,8.480278891844556,3.3014907235682425,0.4382558739263749,0.0037414657126934,12.528065152066585,5.129974669257628,7.559751916520224,1.3027381040957349,6.346607854335804,13.936580958951788,0.6541700448914268,5.267007099875923,0.7400357786525879,23.544497122213603,1.7199535685864074,4.081065995318194,0.0472700788409394,-5.267007099875923,-0.7400357786525879,-0.7315015198058996,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1869,10.967481446061948,11.719726545357858,12.45579700500092,13.16963043637666,13.855695924787616,14.509715758806276,15.12885376430274,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_138,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0954638091344336,0.6264310498095756,1.9627973522779585,4.074848064369833,6.137616618303941,7.496526495352894,8.206008988984468,8.536342502842174,8.660028175826966,3.3152985638698484,0.4530562769379825,0.0045440720090966,13.232030070504669,5.21779527724621,7.943094225355704,1.2812722357970436,6.778819055843811,14.89804783482541,0.7162284887670203,5.824057487465824,0.7628618376760482,25.459004717022907,1.762600833368711,4.180253312760747,0.0265036755123295,-5.824057487465824,-0.7628618376760482,-2.129987813164715,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1869,10.72987455377494,11.518613956496802,12.280963801909731,13.013438216900552,13.712832762643623,14.376725279058808,15.003643538444935,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_139,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.099324162206589,0.6143082465792081,1.834915452087709,3.628550300121247,5.343903289242308,6.483859826987677,7.084390390973417,7.365365068182327,7.470797757082058,2.993744598704424,0.4492829478227237,0.0049951757328772,10.460971904793302,3.993124789675765,6.597795805888104,1.096587456211323,3.799211104621744,8.156216483803279,0.560240055319211,8.281131547175432,0.6851093250943119,24.59845607630083,-3.799211104621744,-8.156216483803279,-0.560240055319211,-8.281131547175432,-0.6851093250943119,-20.220748349236043,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1869,11.725483662497163,12.412924062053516,13.084746174099587,13.735710624258662,14.361527910267045,14.9590132717592,15.526073867176116,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_140,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0947532468589949,0.6204971831522683,1.9444495842991187,4.063999656119229,6.176944573448389,7.588588411503093,8.330845797121329,8.67755293804138,8.807543303896809,3.296514437457586,0.4489308165363031,0.0044935515594791,13.446943057967244,5.117681785428658,8.164596311338894,1.230491442825694,5.984229295296564,13.162842997641768,0.5916114432707096,4.261497098891099,0.6713343555544907,20.774138843190585,2.2646232646554503,5.261973403148787,0.1256800836816395,-4.261497098891099,-0.6713343555544907,2.1368844596277814,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1869,10.703233983374938,11.50634701309142,12.280883476214576,13.023484734738188,13.731104239523637,14.401505638393983,15.033418748197311,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_141,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.098481608811568,0.6038910449645499,1.7660872434672137,3.431067327363046,5.0036983197243226,6.045951692727411,6.595049207982691,6.852045449261885,6.948499162685293,2.8454549940593328,0.4432556727934168,0.0049230369316714,9.492779809276469,3.5054238627227354,6.1166736421551215,0.9769802309054836,3.691568577358322,7.936678105922978,0.5262299978459879,7.584543619961378,0.6537913613141052,22.980791338200184,-3.2866855982587952,-7.032322682002381,-0.491022782272116,-7.584543619961378,-0.6537913613141052,-17.709319866523977,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1869,11.714329873861136,12.401354105267965,13.07312033415643,13.724140384033074,14.34997189689362,14.947344549388893,15.514126439348058,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_142,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.09486194890488,0.6206791588434494,1.943762770111355,4.058037227273189,6.162560491822439,7.567561534386605,8.306102848061352,8.651031163471513,8.780348160138116,3.292937787267747,0.4491184458391324,0.0045045973398197,13.397901641887112,5.098914623849374,8.141914713358526,1.2308894341866503,5.993920567880556,13.183839098308598,0.5933899628445177,4.287171147147653,0.6726250279152692,20.844474513040183,2.2526899787998915,5.235969492899165,0.1237066064320428,-4.287171147147653,-0.6726250279152692,2.057140256541189,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1869,10.703408672864136,11.50648164335198,12.28098189331928,13.02358490439338,13.731264986234676,14.4017949475592,15.033904968098074,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_143,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0984044980989844,0.6028381458093733,1.7609807437374108,3.4173902540323704,4.978021971147122,6.011029707556495,6.555026895964565,6.809600477747388,6.905140325143289,2.835326737415309,0.4426383847559451,0.0049162577379509,9.425222846594922,3.4776743040020017,6.075303564547481,0.9689920296679728,3.6367722325145175,7.8120341408741,0.5248021105104148,7.663702735526057,0.6528772217355842,23.03174737850925,-3.417650745589467,-7.322599624167723,-0.5057480681691061,-7.663702735526057,-0.6528772217355842,-18.190259768671584,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1869,11.81906271108716,12.503884423867309,13.173767630466829,13.82315918958885,14.44756801644834,15.043686897456958,15.609355667373668,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_144,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0955208179010542,0.6261408414432469,1.9612889059602727,4.07599452265488,6.14501076514563,7.508955174391429,8.221220747474298,8.552874451922088,8.677057688839758,3.3148907135384778,0.4529446237560735,0.0045511497239475,13.271195815224257,5.215562641453992,7.970708753046517,1.277637229419502,6.804256431682326,14.954186760495547,0.7200292104905017,5.864334400528455,0.7648886300042195,25.58787759480158,1.7570536486949724,4.168541550471713,0.0244325356292632,-5.864334400528455,-0.7648886300042195,-2.235989399647963,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1869,10.528742379256776,11.31383724858925,12.072799924299249,12.802156480706518,13.498702967043352,14.160009023148046,14.784588277789563,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM1869_145,RSM1869.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0993361661040372,0.6144045401850321,1.8350284350417183,3.625634030818376,5.335045123465993,6.470018786168809,7.067691225191602,7.347282819706005,7.452189596536415,2.992349767266264,0.4493401477804766,0.0049964041384305,10.443446455646924,3.984122268839202,6.591729230811988,1.0962496175141736,3.803704662027727,8.165973530221555,0.5610104274846616,8.29178808190502,0.685693386675797,24.62862758498525,-3.803704662027727,-8.165973530221555,-0.5610104274846616,-8.29178808190502,-0.685693386675797,-20.25220661378768,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1869,11.758415166417494,12.440352203965384,13.10760061923916,13.754696191328696,14.37719199876885,14.971790496064044,15.536316298890316,[Zn].n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1.n1ccc(cc1)C=Cc1ccncc1pcu.cat0,"linker n1ccc(cc1)C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1, n1ccc(cc1)C=Cc1ccncc1, nodes [Zn], topology pcu"
RSM0424_0,RSM0424.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0056475965740122,0.2427677525901341,1.4085686875965406,3.535494150405772,5.619033805297157,6.970278608018384,7.668556382912116,7.992041572994499,8.112902489769121,2.763115037513291,0.1358070289786243,6.746758966848701e-06,9.993765403375184,3.9346594385466473,5.599697926702686,0.5733258563340555,19.184489543374514,43.301897182330194,2.000504782788981,6.819359934145771,1.4868776177868983,59.11260390116878,-19.184489543374514,-43.301897182330194,-2.000504782788981,6.810679298189048,1.4868776177868983,-59.11260390116878,0.0,0.0,0.0,7.0,1.56,0.0,-26.0,-57.925255,-3.0,-8.0,0.0,-95.0,RSM0424,20.792156641040343,21.22842505725337,21.57281658126355,21.848902953669416,22.073306411688648,22.25797034096273,22.411628033224822,"[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology kgd,"
RSM0424_1,RSM0424.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0056702387400354,0.2431216500736994,1.4091805737660346,3.535354095171813,5.6177793619430085,6.968260302591084,7.666143617449939,7.989447021044837,8.110240221931168,2.7633267967832515,0.1360533191281684,6.812465332721697e-06,9.988935965412796,3.934820807639117,5.597681161318737,0.5743457737668927,19.18409016651839,43.301011935268434,2.000387011885921,6.818928862032172,1.4869211237464492,59.10652439961732,-19.18409016651839,-43.301011935268434,-2.000387011885921,6.812490058939646,1.4869211237464492,-59.10652439961732,0.0,0.0,0.0,7.0,1.56,0.0,-26.0,-57.925255,-3.0,-8.0,0.0,-95.0,RSM0424,20.887531862544623,21.30562800015512,21.635591676446115,21.90007102396199,22.11502054538745,22.29189574265679,22.439069017324385,"[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology kgd,"
RSM0424_2,RSM0424.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0056570664025001,0.2426916460526519,1.406386721117496,3.5276088169096003,5.60546161476672,6.953152901070273,7.649636473085303,7.972299454754546,8.092854566089125,2.757367756908574,0.1358027737886751,6.80616455412731e-06,9.941032609623017,3.918155361897445,5.573184286180583,0.5725743323494158,19.18431412477648,43.30135793846482,2.000304065500482,6.817995132126859,1.4866742389414462,59.0995290605006,-19.18431412477648,-43.30135793846482,-2.000304065500482,6.812735629397467,1.4866742389414462,-59.0995290605006,0.0,0.0,0.0,7.0,1.56,0.0,-26.0,-57.925255,-3.0,-8.0,0.0,-95.0,RSM0424,20.85994232129772,21.278284419513977,21.60836480828941,21.87288584203357,22.087833861053383,22.26468324756588,22.41181767639744,"[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology kgd,"
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RSM0424_23,RSM0424.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1555227530680884,0.7754304628209632,1.875122769066419,3.5346219913239314,5.229690890057131,6.376494687697238,6.982136047746224,7.265465613053896,7.371753318097632,2.9289099453189444,0.5999359499359427,0.009575486968214,9.199849040897073,4.177802615939327,5.481073914089017,1.2206218634926496,1.3822915890134906,2.768602503244703,0.0112513395194845,1.4723023051693662,0.6002697447210009,7.136484735457143,1.2697781938186452,2.521010926421896,-0.0112513395194845,1.1797674776627696,0.5923938070573618,-7.136484735457143,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0424,6.698599699012994,7.503539429612036,8.301507812418984,9.086987937692056,9.855162447919977,10.601789300591305,11.323265827035314,"[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology kgd,"
RSM0424_24,RSM0424.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1205901034646814,0.7404784647317605,2.04636347836433,3.968500984826616,5.775568532082247,6.93673459669477,7.535002892737933,7.811832605869565,7.915213700620439,3.287168038835965,0.5511265252794829,0.0051808737789649,11.464803359520552,5.133202342888569,6.968615121554298,1.4843334298797368,0.7154731261091495,1.4423916554216032,0.0147347590415863,0.83335119844184,0.2988344800889095,3.8720608113774735,0.5681255356932865,1.1181456206367948,-0.0147347590415863,0.450247463360596,0.2885201487597991,-3.8720608113774735,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0424,7.295216433643343,8.1604503332664,9.006255937471256,9.828925361428576,10.624839700135288,11.390691627827772,12.123749447707016,"[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology kgd,"
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RSM0424_56,RSM0424.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0691857005176296,0.3877971992424514,1.3457113950717514,3.04501845246876,4.721244223003097,5.818459825966464,6.388858420531291,6.653891884992703,6.753041972077487,2.427364073808598,0.2819576582817715,0.0047953373967029,8.150000683747502,2.551324804422257,5.085300482684761,0.4887366542544041,5.0185299512500805,10.875067313828891,0.5400009716409683,6.425689625733513,0.8852906111283911,21.45158963294501,-1.0653789602327997,-1.9422370900192687,-0.1238798146917806,-6.425689625733513,-0.8852906111283911,-1.7842378887011918,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0424,14.942763709138358,15.70099428128474,16.381450596021804,16.994415905260777,17.548467425967782,18.050748204474928,18.50723997941964,"[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology kgd,"
RSM0424_57,RSM0424.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0508506921956638,0.3771726638231418,1.502443906605468,3.5580570921182573,5.578142116174444,6.887520994959076,7.563788183731113,7.876985675326286,7.993988025423922,2.809727849434988,0.2609597565699621,0.0024734434345243,10.698663966020089,3.7548879156350097,6.362820156258974,0.7099290966132261,6.492488867013831,14.388356733237874,0.6635181056140574,4.693326675476428,0.8404671633737967,23.578310539506823,3.1531421110252684,7.407619217118976,0.3518114710216372,-4.693326675476428,-0.8404671633737967,12.668578328772114,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0424,13.665698658198284,14.720509418187468,15.647397071501144,16.46328402478938,17.1832185119184,17.82023510112376,18.385496437220265,"[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology kgd,"
RSM0424_58,RSM0424.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0642065878593819,0.3912372850158098,1.4999279742772624,3.577515607802778,5.652701136100177,7.011130164233094,7.716275153941256,8.043603710695187,8.166003646704052,2.816345989501064,0.2782778733347256,0.0041284601724314,10.7855705398688,3.807220352367425,6.321208951051493,0.7556653921441767,5.048897976828413,11.209164261388914,0.4578129336598068,2.432505858558635,0.6783930047531304,17.395870399706777,3.472460320558473,8.046322594482536,0.4391721502756548,-2.432505858558635,-0.6783930047531304,16.743442981261456,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0424,14.314720310234884,15.159450426102175,15.915974338547596,16.595624198306908,17.207896706836298,17.760796066608055,18.261128356588262,"[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology kgd,"
RSM0424_59,RSM0424.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0691710118685332,0.3877656627010026,1.3450833283369903,3.043348356151512,4.7191606708086935,5.816394155416747,6.386874881384991,6.651961370475688,6.751133568441673,2.426004060897744,0.2819454682280142,0.004792653323204,8.146359321642963,2.548459148405676,5.0834475749400125,0.4876358290655112,5.010341053473506,10.856011951984808,0.5389848775927594,6.4251002555849785,0.885242435167754,21.43030549407928,-1.0785355853319751,-1.97141563887599,-0.1251106177883877,-6.4251002555849785,-0.885242435167754,-1.813036844260875,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0424,14.922266733313114,15.68586852570961,16.371354809158966,16.98878444482049,17.546677706565635,18.05220320482029,18.51140360168156,"[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology kgd,"
RSM0424_60,RSM0424.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0508575647858698,0.3771217664810823,1.5015834050869643,3.5543064718438675,5.571249719649739,6.87870378012914,7.554030620402569,7.866805972780407,7.983652828188678,2.8071224710179616,0.2609350672653893,0.0024747734255175,10.669937462606171,3.7432518537803032,6.351247654251014,0.7104287245559123,6.501718063342549,14.409802765794163,0.6645163158018135,4.691667072466024,0.8406486657384733,23.60086342009896,3.1695282815524246,7.4440555482174195,0.3535096152397627,-4.691667072466024,-0.8406486657384733,12.71562890042718,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0424,13.54746580387045,14.610363325494296,15.545045686241384,16.368222223832817,17.09484983224512,17.73794325434605,18.30868499614422,"[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology kgd,"
RSM0424_61,RSM0424.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0642180743193171,0.3915184173246387,1.5002511207158844,3.5754990230049795,5.64718584745988,7.003034887144603,7.7067852734416675,8.033456569114703,8.155609308265875,2.815386336396839,0.2784550551243934,0.0041288480310219,10.770923801143976,3.804045887965224,6.31264952829461,0.7557619078010732,5.044777617737869,11.200667262158612,0.4572544101008052,2.42112393583017,0.6772676842261947,17.37177688529667,3.4803716888027507,8.063386036336492,0.4401297274297863,-2.42112393583017,-0.6772676842261947,16.772412991811006,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0424,14.113438777982775,14.97842943008717,15.752440035181612,16.4472905737987,17.072848017994822,17.63740832455577,18.14801407843704,"[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology kgd,"
RSM0424_62,RSM0424.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.069124972248459,0.3871480090037621,1.3417565405966096,3.036069672019888,4.708228357365674,5.802955481153476,6.37208109415485,6.636525202395057,6.735454996691682,2.4200822582323145,0.2815857190223446,0.0047878475925805,8.116536527282399,2.534399541252577,5.067238233121828,0.4840225446680499,4.969844734072839,10.7659472891233,0.5329713174834394,6.365582872743099,0.8816014743109013,21.26418316886763,-1.077515046733706,-1.9705533486689613,-0.1232524030266885,-6.365582872743099,-0.8816014743109013,-1.7036470489868447,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0424,14.946446311357036,15.70330081694536,16.383010607042213,16.9955472254997,17.549312713013308,18.051354751029223,18.507605832261103,"[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology kgd,"
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RSM0424_64,RSM0424.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0642205490796491,0.3917424906490437,1.5015549042731973,3.5784887002585704,5.651622859366213,7.008360776068822,7.712561320644077,8.039439512629746,8.161669313481683,2.817798524536535,0.278578434612872,0.0041283980507039,10.777362113891668,3.809176783115941,6.317380255697106,0.7586720068386413,5.0554887414855925,11.224415361160837,0.4583214276721924,2.4282974458899464,0.678722292936964,17.41024031121148,3.486046374406588,8.076664515208435,0.4407875318954056,-2.4282974458899464,-0.678722292936964,16.79655395902394,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0424,13.832931400327617,14.721925511166663,15.51820061260264,16.233420669498848,16.877460181806438,17.458710276466245,17.984350561895383,"[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology kgd,"
RSM0424_65,RSM0424.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0691905750828348,0.3878085308413116,1.345709235078045,3.0449862143801,4.721186615115056,5.81838728651554,6.388778514125275,6.653808634609635,6.752957482707516,2.427342219501404,0.2819683060161167,0.0047959973399686,8.149936774763843,2.551219803994836,5.085335714225249,0.488716426216406,5.018436548283255,10.8748695772304,0.5399815559784257,6.425360460407708,0.8852764453625616,21.45102207178758,-1.0651763926863915,-1.94179267712178,-0.1238489080208612,-6.425360460407708,-0.8852764453625616,-1.7830441681874625,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0424,14.938819557093622,15.69707984535547,16.377556856578124,16.99053671270777,17.54459849313629,18.046886481330127,18.50338325861816,"[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Co], topology kgd,"
RSM1618_0,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0004348545961359,0.0814107140412268,0.8807319838385423,2.564148509534,4.1409425011754175,5.122509021874388,5.620013540793488,5.848593773513201,5.933713231650898,1.9571999042409256,0.0358844066705831,4.783114400094843e-08,5.600299302889358,1.7264859181950634,3.4251100575915614,0.1967963826541278,39.99999999999999,96.4116,3.0,4.0,1.7500000000000002,77.99999999999999,-39.99999999999999,-96.4116,-3.0,4.0,1.7500000000000002,-77.99999999999999,-40.0,-96.4116,-3.0,4.0,1.75,-78.0,-40.0,-96.4116,-3.0,4.0,1.75,-78.0,RSM1618,22.87193844739784,22.99134702386364,23.08392332250351,23.1570895562205,23.21588426971232,23.263820330729363,23.3034046748834,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_1,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0004349394870378,0.0814208466503,0.8807943848653639,2.5642595797127647,4.141071481879616,5.1226420512934885,5.620147183065385,5.848727427624273,5.933846850258165,1.9572983775290185,0.0358894029743495,4.784570026340589e-08,5.6006384879480215,1.7266732518754158,3.4252675065211107,0.1968296070222653,40.00000000000001,96.4116,3.0,4.0,1.7499999999999998,78.0,-40.00000000000001,-96.4116,-3.0,4.0,1.7499999999999998,-78.0,-40.0,-96.4116,-3.0,4.0,1.75,-78.0,-40.0,-96.4116,-3.0,4.0,1.75,-78.0,RSM1618,22.871922898756228,22.99133399240376,23.0839122513464,23.15708003948045,23.21587600512612,23.263813088888103,23.30339827871611,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_2,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.000687016595686,0.0925880591452557,0.899251965795139,2.712910727650949,4.594701760698509,5.839899004821232,6.488759603152502,6.79042050620303,6.903290209079397,2.0344694098854097,0.0431409281933326,1.1796656608674157e-07,6.64597416524542,2.0561066088907096,4.017138863889847,0.2117067335791775,40.00016421888814,96.4119275099396,3.0,3.999835781111849,1.749926922594773,77.99917890555923,-40.00016421888814,-96.4119275099396,-3.0,3.999835781111849,1.749926922594773,-77.99917890555923,-40.0,-96.4116,-3.0,4.0,1.75,-68.0,-42.0,-100.4003,-3.0,2.0,0.8599999999999999,-78.0,RSM1618,22.758788302052658,22.89502716354214,23.001096979561016,23.0852124322052,23.15299178725003,23.20837695906014,23.254196292197424,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_3,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0006872147903358,0.0924514325497407,0.897895690969789,2.710388028572085,4.592103880755904,5.837516219133796,6.48652808214306,6.788264653584933,6.901163304807586,2.032198189513048,0.0430867195451224,1.1853391059594228e-07,6.640097047799761,2.052090427438332,4.015635125655972,0.2109832570130558,40.00006240165845,96.41172445074754,3.0,3.999937598341556,1.7499722312619923,77.99968799170777,-40.00006240165845,-96.41172445074754,-3.0,3.999937598341556,1.7499722312619923,-77.99968799170777,-40.0,-96.4116,-3.0,4.0,1.75,-68.0,-42.0,-100.4003,-3.0,2.0,0.8599999999999999,-78.0,RSM1618,22.752301627876705,22.889560657761937,22.99643170975595,23.08118670882974,23.149484088222763,23.205294392201942,23.25146672965059,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_4,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0006872747644456,0.0926058591793544,0.89931780828115,2.712982301834688,4.594753113775578,5.839934187947909,6.488786260782928,6.790443226066843,6.9033114624110405,2.034544364851469,0.0431507949957988,1.1803984253591045e-07,6.6460363160119,2.056268795398896,4.017073528860859,0.2117409934091794,40.00015544776711,96.41191001725436,3.0,3.999844552232886,1.749930825743634,77.99922276116442,-40.00015544776711,-96.41191001725436,-3.0,3.999844552232886,1.749930825743634,-77.99922276116442,-40.0,-96.4116,-3.0,4.0,1.75,-68.0,-42.0,-100.4003,-3.0,2.0,0.8599999999999999,-78.0,RSM1618,22.75877593272796,22.89501677671564,23.001088136458566,23.08520481490908,23.152985159471985,23.208371141413487,23.254191146011,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_5,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0006872116603709,0.0924508442317261,0.8978866040670692,2.710357046054275,4.592051657258751,5.837450970721297,6.486456336017138,6.788189948632318,6.901087502479266,2.0321753247996823,0.043086474546803,1.1853362310571313e-07,6.639879958413871,2.052047753219944,4.015487129049883,0.2109804733017085,40.00006240167466,96.41172445077986,3.0,3.999937598325342,1.7499722312547774,77.99968799162671,-40.00006240167466,-96.41172445077986,-3.0,3.999937598325342,1.7499722312547774,-77.99968799162671,-40.0,-96.4116,-3.0,4.0,1.75,-68.0,-42.0,-100.4003,-3.0,2.0,0.8599999999999999,-78.0,RSM1618,22.75230654314289,22.88956482841469,22.99643528608697,23.08118980447326,23.14948679047305,23.20529676905794,23.25146883474447,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_6,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405401695826589,0.4820852468855754,1.3578184768029864,3.1284015720111635,5.075902713834188,6.414570988711727,7.124067962947852,7.456287792513072,7.580949598648022,2.4546162590521936,0.3823905011031967,0.0200990144565526,10.293765680357437,2.3527129436528447,6.869165047329559,0.3033098922630847,5.213483748056944,11.321183643611413,0.8958907582603921,12.380609814140076,0.6402050961471042,36.64493433794273,5.213483748056944,11.321183643611413,0.8958907582603921,12.380609814140076,0.6402050961471042,36.64493433794273,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.4097904602777813,4.07469148844659,4.761911228178133,5.453923133830526,6.136982794831321,6.801200625168266,7.440105709919508,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_7,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403756356462581,0.4761847011358371,1.2289556353997464,2.508713879355124,3.787599199669485,4.633470828897754,5.075322624882595,5.28104930769153,5.358076429290207,2.042289484172273,0.3800470271350679,0.0200569426559747,7.107335142103525,1.4701843316860046,4.840747590382655,0.1548101862086142,3.917692480231053,8.45869435803122,0.62603113459852,8.925941557019213,0.5695647763305933,24.23371702074114,3.917692480231053,8.45869435803122,0.62603113459852,8.925941557019213,0.5695647763305933,24.23371702074114,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.495769350972364,4.142722687048527,4.810584087918452,5.483243162405958,6.1480320148038246,6.795750954664968,7.420285590999024,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_8,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404224942701187,0.4762446260153878,1.269912829833356,2.7160939679340625,4.205353417974005,5.199982668141388,5.721193795552138,5.964147510289988,6.055151631691219,2.1811127723584978,0.37973223367408,0.0200782640992519,8.812800903717418,2.007165179813252,5.790003584028248,0.1500542459786409,2.904868528760594,6.338662946770321,0.5289360883372897,7.136357235458911,0.300911329666046,22.501183539807304,2.904868528760594,6.338662946770321,0.5289360883372897,7.136357235458911,0.300911329666046,22.501183539807304,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.496694973935526,4.141908890616839,4.808221954409072,5.479608174372648,6.143394717153925,6.790338819558199,7.414273261473928,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_9,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404559761504693,0.4819916949890831,1.3578113988668443,3.1284588118741183,5.075974098879696,6.4146402245360425,7.124134029478192,7.456352031337033,7.58101310331472,2.4546588223452925,0.3822884314269029,0.0200748469565967,10.29426600542172,2.3527708998149897,6.869479471152872,0.303244515994079,5.213413554941359,11.321031109298824,0.8958785908977849,12.380442282123637,0.640196674015558,36.64443358813814,5.213413554941359,11.321031109298824,0.8958785908977849,12.380442282123637,0.640196674015558,36.64443358813814,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.4097176914245297,4.074616123561187,4.761833822086051,5.453844420078793,6.136903539451899,6.801121541420822,7.440027415958918,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_10,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403517070794564,0.4761566818131205,1.228917333715799,2.5086214667775244,3.7874446684934826,4.633274931443196,5.075105262339116,5.280821996096677,5.357845400508135,2.042218692950099,0.3800180242935605,0.0200500474053679,7.107218807977941,1.4700733021358252,4.840736209238784,0.154779146032699,3.9175507029301633,8.458385491533944,0.626005807067994,8.925597159474114,0.5695491745514335,24.232652980108767,3.9175507029301633,8.458385491533944,0.626005807067994,8.925597159474114,0.5695491745514335,24.232652980108767,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.495808592415092,4.142763252782422,4.810625336288206,5.4832845149897445,6.148072979015367,6.79579112666545,7.420324649093607,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_11,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403595900031596,0.4761587740526203,1.2698566740947492,2.716080117079854,4.205356168946996,5.199986657899631,5.721196142719502,5.964148637161343,6.0551522326364005,2.1810869318388626,0.3796465600282644,0.0200603527506097,8.813079551751981,2.007208647649646,5.790237292073506,0.1500580415402511,2.904490047911161,6.337839673477173,0.5288696971179215,7.1354476248545335,0.3008673892243637,22.498428558698706,2.904490047911161,6.337839673477173,0.5288696971179215,7.1354476248545335,0.3008673892243637,22.498428558698706,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.4967286044205728,4.14194293434682,4.808256017986711,5.479641945500287,6.143427947199728,6.790371310725125,7.414304857861602,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_12,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404901940386888,0.4821267440740505,1.3575737092083675,3.125531955353678,5.069872878674451,6.406569829058695,7.115104023011873,7.446892748200868,7.571396008359521,2.4528501583145297,0.382384884213626,0.0200843424171188,10.275006911913168,2.34810409412185,6.856772048564049,0.3016092160816374,5.211988043499819,11.317949655406084,0.89564727873854,12.377166273408136,0.6399960317226571,36.635369294198696,5.211988043499819,11.317949655406084,0.89564727873854,12.377166273408136,0.6399960317226571,36.635369294198696,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.4054365271957727,4.070782694469864,4.758503171135998,5.451022936545583,6.134566591450066,6.799227139280151,7.438525800315135,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_13,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403817703512003,0.4761610149769569,1.2286595561880331,2.507976914305325,3.786608371528717,4.632392314774876,5.074217661702983,5.279935880870106,5.356960415460024,2.0416908939262983,0.380040531621662,0.0200587934978073,7.10463465843312,1.4686386111918053,4.839834321258056,0.1547662478533382,3.9119866946622346,8.446731498831113,0.6254651597283116,8.915707972488727,0.5680869046341098,24.22262770767064,3.9119866946622346,8.446731498831113,0.6254651597283116,8.915707972488727,0.5680869046341098,24.22262770767064,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.49539914603886,4.142623609998667,4.810756996818236,5.483668286117694,6.148676607503234,6.796575501883665,7.421248245200045,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_14,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404448498060648,0.4762585761399572,1.2697982034447102,2.715241105175284,4.203312020402947,5.197036637519783,5.717755070667474,5.9604762046731095,6.051392821001502,2.180600004466967,0.3797537699385105,0.0200847016393336,8.808843323399136,2.005843354563058,5.787710880278976,0.1496309818375772,2.89501478094362,6.317229394680703,0.5272079478431775,7.11267836368904,0.299766675313953,22.429482444304323,2.89501478094362,6.317229394680703,0.5272079478431775,7.11267836368904,0.299766675313953,22.429482444304323,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.494290483422401,4.139744804727298,4.806320630771806,5.477972519943307,6.142013709753009,6.78919232940311,7.413335883231319,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_15,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404574590016343,0.482065194324992,1.357470429621465,3.1254241940582554,5.069788285006963,6.406504606073984,7.115049263310175,7.446842875613616,7.571347964434924,2.45273861703256,0.382330999549556,0.0200751277969281,10.274792762220429,2.3479094312278903,6.856710831424883,0.301560416404781,5.212152195396802,11.318305705159544,0.8956750897371836,12.377552913294272,0.6400169336943577,36.63649530461883,5.212152195396802,11.318305705159544,0.8956750897371836,12.377552913294272,0.6400169336943577,36.63649530461883,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.4054670804115625,4.070820029499536,4.758546360116891,5.451070885099814,6.134618191707936,6.799281359144595,7.438581728214859,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_16,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403119324211382,0.4760644759441857,1.228580587357095,2.507950926610354,3.786642423498857,4.632467177720859,5.074313996627163,5.280042238474612,5.357070529341614,2.041644187696849,0.3799452074639677,0.0200389011837949,7.104638898160951,1.4685999448702485,4.839888669970363,0.1547662730150773,3.912139680316034,8.447062821156496,0.6254905866269134,8.916064373331343,0.5681073078151725,24.22364266230377,3.912139680316034,8.447062821156496,0.6254905866269134,8.916064373331343,0.5681073078151725,24.22364266230377,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.495378401228596,4.142600760225608,4.810732366741301,5.483642224030668,6.148649478661442,6.796547671214052,7.421220060828307,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_17,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403721270167718,0.4761640645080713,1.2697183160222243,2.7151674353031545,4.203240094184571,5.19696643178805,5.717686112182641,5.960407915201522,6.051324796636293,2.1805252700723075,0.3796584335699473,0.0200639051848811,8.80871419343879,2.005747602154736,5.787685198016754,0.1496233519097894,2.8954185272762363,6.31811049371347,0.5272815528851397,7.113670950357354,0.2998083329782882,22.4326160655786,2.8954185272762363,6.31811049371347,0.5272815528851397,7.113670950357354,0.2998083329782882,22.4326160655786,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.494195384338673,4.139653003081917,4.806232452793506,5.477888134306066,6.141933188146632,6.7891156804365504,7.413263071917161,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_18,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405403908043753,0.4820896727139868,1.3578347133244948,3.1284412332788043,5.075963251471072,6.414642950048512,7.124145142569287,7.4563672336407585,7.581029859707204,2.4546474156017384,0.3823934892620791,0.0200990147095762,10.294183025101438,2.352730708889062,6.869504727443681,0.3033116563007887,5.213432968181686,11.321074173962854,0.8958828079938174,12.380495432132223,0.6401974058524434,36.64463171865878,5.213432968181686,11.321074173962854,0.8958828079938174,12.380495432132223,0.6401974058524434,36.64463171865878,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.409772541718309,4.074676338835322,4.7618986097989975,5.453912775285984,6.136974413633437,6.801193946692297,7.440100479909507,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_19,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403511679776087,0.4761412452800044,1.2288786133027545,2.508607091956505,3.787486135771591,4.63336212414234,5.075218261275312,5.280947385950927,5.357975486349095,2.0421901618057148,0.3800083109894259,0.0200500395657087,7.107001273326521,1.470058884944637,4.840555345741207,0.1547826505542716,3.9177830403693936,8.4588768576665,0.626032968745017,8.926046790329531,0.5696016365674731,24.23339261030422,3.9177830403693936,8.4588768576665,0.626032968745017,8.926046790329531,0.5696016365674731,24.23339261030422,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.495768995056807,4.142720032762981,4.810580141041201,5.483238689677688,6.148027581111242,6.795746974014761,7.42028237382726,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_20,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404223886435048,0.4762445785519048,1.2699432916906312,2.7161880520054424,4.205492905559677,5.200142512128524,5.721361653896668,5.964318543341856,6.055323766494712,2.181185439955555,0.3797314294268407,0.0200782639984849,8.813315016216473,2.0073463189275027,5.790312859139168,0.150079738764352,2.9049849253199373,6.338912276297078,0.5289527652353134,7.136607047202444,0.3009318569511595,22.501768939872253,2.9049849253199373,6.338912276297078,0.5289527652353134,7.136607047202444,0.3009318569511595,22.501768939872253,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.496758046128393,4.141973933995028,4.808288215042998,5.4796749125884325,6.143461269917606,6.790404628463972,7.414337879442876,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_21,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404785963560939,0.4820201075959117,1.357812829087582,3.128431188381432,5.07594009370142,6.414609075224912,7.124105864668694,7.456325537547793,7.58098727681306,2.4546384038765496,0.3823181267948104,0.020081295489385,10.294184832393883,2.352728479952679,6.869452564056224,0.3032455148253651,5.213504719594694,11.321218118995551,0.8958836301023967,12.380573760413869,0.6402277937776446,36.64433050919431,5.213504719594694,11.321218118995551,0.8958836301023967,12.380573760413869,0.6402277937776446,36.64433050919431,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.4097677862779747,4.074671943179707,4.761894690756416,5.453909415330127,6.1369716485608725,6.801191770102118,7.44009885428706,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_22,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403515630358778,0.4761501917675861,1.228883147225276,2.508556523289036,3.7873651854680905,4.633191957871417,5.075022034780764,5.280738981158057,5.357762516776339,2.042162637560429,0.3800144352122744,0.0200500472720376,7.107097016420608,1.4699669048960715,4.840673226988106,0.1547313755961319,3.917683368141856,8.458674049526007,0.6260290630278054,8.925915872364298,0.5695646056459903,24.23361757123709,3.917683368141856,8.458674049526007,0.6260290630278054,8.925915872364298,0.5695646056459903,24.23361757123709,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.4958182821140884,4.142773015465096,4.810635199146712,5.483294474676346,6.148082974124015,6.795801036329692,7.420334303038526,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_23,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403756046801018,0.476183536995587,1.269910702246557,2.7161919756677246,4.205512749163762,5.200165386046652,5.721384350371732,5.96434080605045,6.055345813487408,2.181178919967673,0.3796694194242693,0.0200649144506455,8.813594745021144,2.0074050105119,5.790538728435651,0.1500886234366304,2.9046439262482817,6.338173539776983,0.5288958646993944,7.135810843843436,0.3008868008691208,22.4994908977162,2.9046439262482817,6.338173539776983,0.5288958646993944,7.135810843843436,0.3008868008691208,22.4994908977162,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.4967901052105668,4.142007207634633,4.808321621907102,5.479707707480112,6.143492948674484,6.790434852429673,7.414366420189963,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_24,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404900881231829,0.4821232836296265,1.357562166406687,3.1255096098558743,5.069837878180586,6.406525661606236,7.115054919275817,7.446841322856189,7.5713437107299875,2.452831918447699,0.3823827392333852,0.02008434233553,10.274904404032348,2.348077621745726,6.856710105184084,0.3016010588793189,5.212092219536,11.318176811481235,0.8956660880589085,12.37742092400727,0.6400071225830664,36.6361650664436,5.212092219536,11.318176811481235,0.8956660880589085,12.37742092400727,0.6400071225830664,36.6361650664436,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.4054748023313004,4.07082781357159,4.758553929732344,5.45107811553673,6.1346250343236255,6.799287801618667,7.438587774636457,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_25,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140324196967827,0.4760923451318115,1.2286316728368114,2.507988161863142,3.78663765133706,4.632427910793074,5.074255467655095,5.2799745204499855,5.356999339012388,2.0416913471979687,0.3799682996585308,0.0200423061706974,7.104867802646353,1.4686636624495732,4.840009997659975,0.1547691181845508,3.911867146053347,8.446479543429682,0.6254520331502039,8.915483411254977,0.5680583178371069,24.22230659024753,3.911867146053347,8.446479543429682,0.6254520331502039,8.915483411254977,0.5680583178371069,24.22230659024753,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.495398191137771,4.14261918777544,4.810749595561757,5.483658404153425,6.148664696242244,6.796561934574679,7.421233305002259,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_26,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404451948622364,0.4762674669709489,1.2698114467404815,2.715236337107964,4.20328794699024,5.197000853510204,5.717713495766024,5.960432003189855,6.051347646912145,2.180602502285609,0.3797597082316093,0.0200847019637081,8.808851133406723,2.005824378865047,5.787733445630361,0.1496283223016146,2.895037420351536,6.317279783880694,0.5272130285861505,7.112741649040742,0.2997672234574012,22.42972489927286,2.895037420351536,6.317279783880694,0.5272130285861505,7.112741649040742,0.2997672234574012,22.42972489927286,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.4942427315458024,4.139698390204192,4.806276105527048,5.477930217785642,6.1419737950939925,6.7891548432180295,7.413300781048202,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_27,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404577532954396,0.4820748712172467,1.3574955047557704,3.12543911536335,5.0697893035152,6.406499367230648,7.115041844826466,7.446834693431741,7.571339536628424,2.452758918326007,0.3823369520977462,0.0200751280671345,10.27478078940884,2.347925886506085,6.856682328444388,0.3015509704788197,5.212071152841997,11.318130252306466,0.8956616799410598,12.377364592370474,0.6400060131252013,36.6359618316642,5.212071152841997,11.318130252306466,0.8956616799410598,12.377364592370474,0.6400060131252013,36.6359618316642,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.4054544595317253,4.070803998692311,4.7585275793101935,5.451049987618661,6.134595749861051,6.79925786808633,7.438557602551569,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_28,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403945669678054,0.4761944590995655,1.2287224929549343,2.50807605814598,3.786748217929909,4.632560626527462,5.074401181205894,5.280126552093306,5.357153775659653,2.041776304222637,0.3800678181194238,0.0200622717789477,7.105172233764508,1.4687482856811631,4.840162973065482,0.1547530473649531,3.912117780686492,8.447011141615823,0.6254828233515881,8.915980367499197,0.5681121186212604,24.22320873117872,3.912117780686492,8.447011141615823,0.6254828233515881,8.915980367499197,0.5681121186212604,24.22320873117872,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.4953652420137,4.142587526890396,4.810719312143174,5.483629559483078,6.148637395336177,6.796536355307216,7.421209702722795,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_29,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403719040824225,0.4761571591328967,1.2696882945362744,2.715109386636074,4.203168179782605,5.196891428077629,5.717611068912043,5.960333182539872,6.051250231263307,2.1804756244729826,0.3796542585033706,0.0200639049672563,8.80843290610456,2.0056363681696188,5.787556021323078,0.1496125255370451,2.895197836901324,6.317625200163552,0.5272377514664235,7.113099848632711,0.2997922534215448,22.430653418143027,2.895197836901324,6.317625200163552,0.5272377514664235,7.113099848632711,0.2997922534215448,22.430653418143027,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1618,3.494240986650144,4.139695816551594,4.806272379130225,5.477925205969688,6.141967521324471,6.789147442495325,7.413292459466109,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_30,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006465759397148,0.7236991526840025,2.231811100148961,4.355440360200888,6.230485752158375,7.4074891672691665,8.00997093097458,8.288231501077027,8.392086847822497,3.623166877253044,0.5204322793602437,0.0036077079692515,13.149889948906084,6.370652803450601,7.726380167304286,1.8046422876993005,1.211592714375423,2.651784203960578,0.2283627453137731,3.038494676885608,0.1109786104337386,10.625218478152576,-1.0720347387623077,-2.3734567552965617,-0.2283627453137731,-2.8989367012724925,-0.0488753112859023,-10.625218478152576,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,8.074908274196435,8.854684088538626,9.625182841144694,10.382388870552576,11.121806397854884,11.839081789209278,12.530447601514853,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_31,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165488418812377,0.8935275875424984,2.120221414616672,3.920725975597578,5.680312320921912,6.850148800503153,7.464452141273325,7.751269098692981,7.858788415781799,3.275814960138412,0.7041757803720899,0.0232044431598029,11.338838756662255,5.330972162256489,6.743182100005578,1.637496098506259,2.2882532451328177,5.02471602068774,0.4472683691303715,5.866400198175791,0.179644501964657,20.38663360827152,-2.1844304461708983,-4.817657021578035,-0.4472683691303715,-5.762577399213871,-0.1334433564266028,-20.38663360827152,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.53032468852146,10.327759865233888,11.09827401988298,11.838214065106625,12.544880428443005,13.216504848968164,13.852172616986769,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_32,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0988880823576063,0.7011105976389213,2.124987021121885,4.131660181051465,5.890222490673509,6.978498176159233,7.530076666278525,7.783537943404534,7.877927949667716,3.4397023843717265,0.5066460434415799,0.0035224463382296,12.292051627286853,5.631042141407046,7.353650687982999,1.605676123280622,0.8264127366155787,1.7518718516714222,0.1005961245789499,1.631181733247178,0.1791359342084014,6.143986174656892,-0.1795485091739203,-0.4617981796731512,-0.1005961245789499,-0.9843175058055196,0.1087186470031365,-6.143986174656892,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.9708417014112785,8.764064822680792,9.5478201096218,10.317724888975617,11.068945519442789,11.796905276469792,12.497734365826693,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_33,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0975664039192701,0.6997780112231158,2.1412377296894425,4.1669171324523,5.920963341181698,6.99719786856169,7.540402317137866,7.789557550599746,7.882274223038572,3.4710908233864,0.5044275296920807,0.0034156347550616,12.324353450427555,5.760340270876201,7.358492667679475,1.6214888386536987,0.7920802310208144,1.6510899873332392,0.0692571154468706,1.3461371545957797,0.2226186113413799,5.345543464041484,0.0995090765521081,0.1270511482248187,-0.0692571154468706,-0.4545478470228569,0.1741386305285706,-5.345543464041484,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.586569265212344,8.425831252722906,9.25786551775301,10.074744526786285,10.869592941709987,11.636819707556448,12.372207603343176,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_34,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174719654729054,0.9129180183389216,2.1424032815190275,3.765058310903264,5.233315683485589,6.173645616609293,6.659393485428206,6.884599341417753,6.968781568351517,3.202641963527004,0.7163760890076485,0.023221196996253,9.793435195022695,5.152350798599545,5.736734643984178,1.682550057536455,2.3122063015687435,5.075970478898011,0.4506472695360725,5.917384457857325,0.1839681738179547,20.57397689856517,-2.194266393791981,-4.840757023823425,-0.4506472695360725,-5.799444550080563,-0.1314849148572957,-20.57397689856517,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,10.019822939455594,10.787110341669614,11.523441294915193,12.227814601961768,12.899421598846232,13.537697656493895,14.142400343569586,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_35,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216933188664025,0.9115712450023762,2.1851271484553565,3.9740784807968224,5.622235660975485,6.674959635527991,7.216704893289046,7.467340833579341,7.560940391832956,3.3461833072261604,0.7147559667384237,0.0231962774714366,11.027582737451535,5.703461702655938,6.340385094593503,1.7446215332513075,2.243301587843096,4.930855274864652,0.4431836288200639,5.788770618403606,0.1672999025525574,20.08018051561676,-2.188534700357544,-4.8216309328078415,-0.4431836288200639,-5.734003730918055,-0.1429286376214869,-20.08018051561676,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.922049517290253,10.681559957277258,11.415307311842206,12.120781752548142,12.795867469164463,13.439006832278816,14.04926125253217,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_36,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583905910344583,0.7785065984585556,1.8368796796412483,3.319509909445275,4.784497311497123,5.771271508038726,6.293105491240483,6.537541768207025,6.629298564143319,2.7881797293937702,0.6038719228290339,0.0100399349356858,7.588599189354946,3.924939567819055,4.317690419668304,1.1825323422477103,1.5632018352892525,3.1443754214143054,0.0255443974591511,1.7653489000667617,0.64730797705684,8.319927762989733,1.3087929145551005,2.584535362074926,-0.0253373866876792,1.1037476989769852,0.6294400095176275,-8.31523551883637,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1618,7.275220289790487,8.081093545852841,8.877054595878525,9.657912325754085,10.419209917761451,11.157085298756895,11.868312495231386,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_37,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1603059022145538,0.7866906119575225,1.8948018650360845,3.45793562695029,4.948913689886066,5.924471242737449,6.432581129426234,6.6689329642773725,6.757396685883948,2.903028637607358,0.609225005478875,0.0103044577854496,7.747960445828441,4.437449631571146,4.206779649440512,1.2064253304093762,1.8115778164651564,3.6995332758107504,0.0840079703819227,2.483641579520538,0.6486371838608893,10.738048489964235,0.9714981126459288,1.8508942034119416,-0.0840079703819227,0.2994343495905471,0.5898316045935436,-10.738048489964235,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.328080227487759,8.120097882406586,8.905692382225741,9.678717884198493,10.434042582003867,11.167331842290176,11.875024284474485,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_38,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.100679183786612,0.7238063496515856,2.2319835031916058,4.355661711487599,6.2307340850701705,7.407748153607309,8.010233708813567,8.288495678624107,8.392351493074086,3.623373936740379,0.5205232076648236,0.0036099828621545,13.15092009713292,6.371418201475151,7.72685607476009,1.8049123233905249,1.2116070052306167,2.6518133328542373,0.2283633543540384,3.038513840062924,0.1109838279138022,10.625302113233852,-1.0720265383097678,-2.3734410286506424,-0.2283633543540384,-2.898933373142075,-0.0488705201340244,-10.625302113233852,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,8.07496976908941,8.854751271346515,9.62525169227376,10.382456853280429,11.121871974685996,11.83914408847901,12.530506189757745,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_39,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165200879721866,0.893590619948866,2.120446971204392,3.921068103590184,5.680675309691471,6.85049638814924,7.464785214269757,7.751594152230747,7.859110277003442,3.276129722826392,0.7042106597194757,0.0231847506622468,11.34051048505652,5.331903166731915,6.744038030002003,1.6377887749040128,2.288105960084813,5.024403427669859,0.4472500811580026,5.866106609348832,0.1796132500664867,20.38553142358412,-2.1843948514952127,-4.817567178254191,-0.4472500811580026,-5.762395500759233,-0.1334618067441147,-20.38553142358412,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.530168897681548,10.327618155558673,11.09814085947211,11.838085920217411,12.544755196341695,13.216381402852122,13.852050465284403,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_40,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0989280499974652,0.7012324641365386,2.1251354302393035,4.131779030249021,5.890317413527669,6.978584797092983,7.530161136397352,7.783621880916561,7.878011760967463,3.4398328574965755,0.5067519696958557,0.0035255104131554,12.292648232226624,5.631462928979098,7.354000987345656,1.6058823572259435,0.8262897857584592,1.7516399299675394,0.1006090103298282,1.6311618683970852,0.1790570602940863,6.14362913538886,-0.1798003175398231,-0.4623136590257024,-0.1006090103298282,-0.9846724001784488,0.1086307530632067,-6.14362913538886,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.970819879970468,8.764030951468005,9.547774503153104,10.317668369518133,11.068879279000608,11.7968307170924,12.49765296138015,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_41,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0975540347093975,0.6997476137657437,2.1412467436577955,4.166955607349126,5.921004752035738,6.997237552710056,7.540440891443904,7.789595623190275,7.882312113668272,3.4711236694909817,0.5043967305066523,0.003415022521741,12.324820957459298,5.760376491419854,7.358862093756857,1.621505388228799,0.7921934224678613,1.651345734292867,0.0692862166168003,1.3464831554022638,0.2226144168416978,5.346691444675313,0.0993312562998583,0.126666508807535,-0.0692862166168003,-0.4549584766345441,0.1741140652099376,-5.346691444675313,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.586709929867971,8.425967849390549,9.257999739990703,10.074876687649938,10.869722770094778,11.63694673867932,12.372331363678994,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_42,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217477808998666,0.9129662661349636,2.142480404974468,3.765154206981104,5.233423090293618,6.173758199096173,6.659508029843406,6.884714625583165,6.968897101069291,3.2027323051858203,0.7164156712124934,0.0232167815820448,9.79412336154666,5.152656062851084,5.737139242756524,1.682658559714801,2.312231774425147,5.076028922462148,0.4506546814651231,5.917469226146131,0.1839656118720843,20.574252501428195,-2.194315040226084,-4.840861683612248,-0.4506546814651231,-5.799552491947069,-0.1314926651535015,-20.574252501428195,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,10.01993953859445,10.78722177407766,11.52354533846343,12.227909990941065,12.899507844192929,13.537774820365076,14.142468841903996,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_43,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169010589125873,0.911589027628738,2.185251393476203,3.974283518492613,5.622468792493672,6.675196318953188,7.216940120249751,7.467574732670134,7.561173695587223,3.346367604964087,0.7147560661251549,0.0231808554183281,11.02866229569463,5.704039649120233,6.340951039949484,1.744805900746938,2.2431926359799097,4.930608196015026,0.443154734142726,5.78843050912172,0.1673055964934484,20.07905786275408,-2.1883547054473507,-4.821242169257417,-0.443154734142726,-5.73359257858916,-0.1429027174064594,-20.07905786275408,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.921985407863,10.681508348690723,11.41526513912516,12.120746691279434,12.795837793363772,13.438981273468851,14.049238881829565,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_44,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583941994689211,0.7785295400694975,1.8369575491967147,3.3196386805433,4.784644589107292,5.771422887515764,6.2932574673944925,6.537693741729592,6.629450495735201,2.788295344331052,0.603888334399739,0.0100399705780327,7.589170045752428,3.925218693880456,4.318099374326768,1.1826366674807405,1.5631950437854931,3.144385443073212,0.0255701222352791,1.7655618752662956,0.6472593847179358,8.320452389053534,1.3085223275583726,2.5839648880341897,-0.0253644210101449,1.1032756789256926,0.629373326897499,-8.315789827950494,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1618,7.275081846361202,8.080942208816758,8.876895807983068,9.657749112709045,10.4190441337914,11.156918240446563,11.868145185219715,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_45,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1603032910744765,0.7866582680293405,1.8947161434378068,3.4578188699824595,4.948796684547219,5.924360290643066,6.432474184354354,6.668827992687805,6.757292465395271,2.9029177252495684,0.6092018064893676,0.0103051826044032,7.747593812885928,4.437136777620688,4.206664292810151,1.206328010316224,1.8115339669637456,3.699427184040798,0.0839898905215777,2.483453091136368,0.6486515705709086,10.737467645250286,0.9716350617479682,1.8511859683704084,-0.0839898905215777,0.2997159375753462,0.5898586472058044,-10.737467645250286,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.328454225554471,8.120414611423437,8.905963044764611,9.678950838436837,10.43424431495314,11.167507527284991,11.875178117418326,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_46,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006954412837351,0.7238105505872069,2.231529272866224,4.354274281643996,6.228508040703022,7.404991025918442,8.007202040297857,8.285336511088147,8.389144622432326,3.62231377732728,0.5205458807829424,0.0036114822452839,13.144459436681688,6.365693038945533,7.725121693427331,1.804253063535191,1.2102678303685854,2.648711034678589,0.2279448183654871,3.0338263772924816,0.1111726500787321,10.61023551915267,-1.0691803532862856,-2.3673332247595047,-0.2279448183654871,-2.8927389002101824,-0.0483887227771086,-10.61023551915267,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,8.08031532015177,8.860066121220255,9.63059358214992,10.387852037510369,11.127322008596606,11.844634107790268,12.53601217008682,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_47,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165339445810867,0.8936157144131751,2.12053956504484,3.920365906445837,5.678526926773497,6.84725275858433,7.460952214287961,7.7474849640939345,7.854897529317784,3.275827704323345,0.7042226509614196,0.0231926610982916,11.332968051855245,5.329677967613001,6.739660668577066,1.637887892028977,2.2887805275212467,5.026075009942585,0.447566526881976,5.869312742577055,0.1793200968432494,20.39523317524576,-2.186884741298514,-4.822859148689279,-0.447566526881976,-5.767416956354323,-0.1339764719741334,-20.39523317524576,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.523348780721197,10.32108713637859,11.091961947069793,11.83228964929853,12.539349696116949,13.211360014121002,13.847397293454708,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_48,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0989174322933015,0.7012409703607788,2.125292970896248,4.132215147802367,5.891042441982505,6.979500735630043,7.531176493476159,7.784683465391224,7.879090645077802,3.440165023798732,0.5067466853098143,0.00352438615047,12.293916740371978,5.631671331032259,7.354851247089129,1.6062617814517262,0.8194865778237125,1.7372856624151658,0.0998463699987825,1.6182575378139723,0.1774595833838348,6.0943602890942135,-0.1789771221641126,-0.4598856295204427,-0.0998463699987825,-0.9777480821543728,0.1075671243846871,-6.0943602890942135,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.9628314960644655,8.756651140728094,9.540917619295564,10.311275546610624,11.062906611892966,11.791242830790514,12.49241961451549,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_49,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0976168224495479,0.6999276894783896,2.141394237793479,4.1670712989362135,5.921215807984971,6.99755025543198,7.540813348119333,7.789996921697078,7.882724342581334,3.471233004273676,0.5045594509197755,0.0034193114977531,12.32404881759441,5.760708554806072,7.3588145761289505,1.6217865187797087,0.7924387259476308,1.6520112103109958,0.0694571703643405,1.3480960888623552,0.2224030386135571,5.351337037024964,0.0978670223042253,0.1235700587150929,-0.0694571703643405,-0.457790340610499,0.1737830193585188,-5.351337037024964,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.572105924675532,8.412165535651377,9.245017232505772,10.062690127242677,10.858288020835754,11.62621206142308,12.362244233637876,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_50,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174735256799739,0.9128956035947452,2.14214735061024,3.764384978557016,5.232418656311719,6.172686162993914,6.65842175075991,6.883625893113401,6.967808080754172,3.2020990258634154,0.7163661040569087,0.0232224809676517,9.790205967884772,5.150346912669997,5.7359238766380045,1.6821922975228114,2.3138300855616043,5.079456122346962,0.4508870827704659,5.920926747725332,0.18424110788029,20.586892083217336,-2.195040742143055,-4.842548595300181,-0.4508870827704659,-5.802137404306783,-0.1313798500590358,-20.586892083217336,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,10.019050282391678,10.786336448258911,11.52266431221384,12.227036206612084,12.898644677587102,13.536925324362812,14.14163550137662,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_51,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169364454313658,0.911544022786183,2.18500479042215,3.9735578810872014,5.621006914958612,6.673135208445591,7.214538645066192,7.465009326491875,7.558546085896929,3.3458474071313384,0.7147374858204509,0.0232010235348344,11.022632404718358,5.701478798339,6.338048180587059,1.7445557488121612,2.2399999091688,4.92332479757905,0.4422663007422369,5.778130315106695,0.1675506456884216,20.04532556068873,-2.1826630982535686,-4.808975128730259,-0.4422663007422369,-5.720793504191463,-0.1420357648311438,-20.04532556068873,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.918207721755174,10.677757815357614,11.41160137563515,12.117212592333672,12.79246145509546,13.435778804646445,14.046217242165348,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_52,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1584872034750999,0.7787028271660399,1.837026162554924,3.319766091433555,4.785031251032848,5.772035900531612,6.294001149387205,6.53850082896966,6.6302817226546535,2.7883678964107634,0.6040595951353888,0.0100525874955686,7.589505229432771,3.925294859737559,4.318355717429277,1.1828982561021613,1.5625862220493028,3.143101306456217,0.0257783579093988,1.7679638370768695,0.6468544934370942,8.325817828652928,1.3052007280713875,2.576711142912128,-0.0256987408861841,1.098708474718814,0.6288146853119853,-8.324013176126726,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1618,7.2807242483652495,8.085399411769554,8.880434782299137,9.660550427454636,10.421239047005615,11.158608424688229,11.869413076929902,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_53,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1602236248793845,0.7865692983662594,1.895170566484135,3.45879474285294,4.949391576268679,5.924335258422149,6.432037026762153,6.668181312185101,6.756564662374591,2.903817623981341,0.609087741600384,0.0102929907288374,7.74840857857298,4.440497261344011,4.2040409698945975,1.2068989044534313,1.8114163424993,3.6991797682519256,0.0839774450184262,2.483235902646709,0.6486225630026394,10.736630612865024,0.9716418923150376,1.851212422350048,-0.0839774450184262,0.299822332167628,0.5898383514897411,-10.736630612865024,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.344765575442195,8.131679897583153,8.913711466669536,9.684280664028655,10.437939462026826,11.170122217415036,11.877099480479655,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_54,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006795279323174,0.7237683988977461,2.231491868230099,4.354256591021303,6.228495457567294,7.404975813404006,8.00718403833926,8.285316928290147,8.389124404939906,3.6222906389840257,0.5205078960506888,0.0036100960177573,13.144534178420871,6.365579497512903,7.725173110395156,1.8041707399773568,1.2105533968261797,2.649340899493779,0.2280033486905918,3.034580186350914,0.1111899827927903,10.612833957942737,-1.069480090079738,-2.3679913501840124,-0.2280033486905918,-2.8935068796044723,-0.0484123612906236,-10.612833957942737,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,8.080191998148155,8.859962973687715,9.630509826578573,10.387786300008338,11.127272561487434,11.844599065589064,12.535989634131026,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_55,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2164870635086694,0.893540100882739,2.120495244678272,3.920345908076023,5.678502687012601,6.847218128478695,7.460910665599033,7.747439920827179,7.854851137649728,3.275803512291971,0.7041475882784342,0.0231822780394939,11.333027370420266,5.329602031589594,6.73969060223784,1.637836732965869,2.2887763239973444,5.026063308004873,0.4475633080578934,5.869282788460493,0.1793242615702679,20.39514778114459,-2.18685675658159,-4.822800018729264,-0.4475633080578934,-5.767363221044738,-0.1339700540702571,-20.39514778114459,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.523356194478575,10.321102269972084,11.09198565309742,11.832321896839504,12.53938989986168,13.211407275107826,13.847450567749874,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_56,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0989451664521049,0.7013083142436559,2.1253294255182293,4.13218968320145,5.890968492089121,6.979399928078211,7.531062939479714,7.784564240390236,7.878969337410174,3.440160342444333,0.5068105314666242,0.0035264722071587,12.293630681915294,5.63171799749766,7.354613283465037,1.6063000371543956,0.8195787927322566,1.7374704930897866,0.099847264143132,1.6183569058773126,0.1774989424974816,6.094839246523924,-0.1788938486990635,-0.459720474957188,-0.099847264143132,-0.9776719618441198,0.1076058575972893,-6.094839246523924,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.962850737574602,8.756675661134077,9.540947784163189,10.31131118273168,11.062947215120722,11.791287716892777,12.492468026053889,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_57,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0976095142161011,0.6998925303923925,2.1413878439724288,4.167147594201566,5.92135028266275,6.997710639006812,7.540984044234862,7.790171755220716,7.882900623012256,3.4712814585523315,0.5045289507042295,0.0034193689072441,12.324586309978653,5.760843700114659,7.359061167583545,1.6217835390267792,0.7924206223572849,1.6519689621512452,0.0694512118728179,1.3480303173398287,0.2224061546874581,5.351127349242783,0.0979085036291053,0.123658930259712,-0.0694512118728179,-0.4577011913534385,0.1737903063764856,-5.351127349242783,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.572043456178894,8.412111854447927,9.24496971441576,10.06264724196152,10.858248835505185,11.626175975358118,12.362210834527865,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_58,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174444723538326,0.9129153063123104,2.142220319739549,3.764501868159509,5.232579705859911,6.172879315542413,6.658632469405911,6.883844952980189,6.968030288398586,3.202200822120825,0.7163725090267695,0.0232060129196416,9.790733365984424,5.150626271113264,5.7361664606686,1.6822729831725016,2.3137063782552496,5.079185259786675,0.4508636621500449,5.9206156754556085,0.1842299717922516,20.585805134277148,-2.1949302432452,-4.842304074929381,-0.4508636621500449,-5.801839540445558,-0.1313745917127794,-20.585805134277148,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,10.018959259016643,10.786251894101657,11.522588560730949,12.226970341476608,12.89858891057605,13.53687930225671,14.141598535841952,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_59,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169073511824956,0.911570773429019,2.185080169890865,3.973626030884661,5.621057707624822,6.673177795257358,7.214578235968791,7.465047817862277,7.558584212656157,3.345921651869608,0.7147488771448065,0.0231838889823692,11.022826779017606,5.701640261873847,6.338117359180056,1.7446404655648091,2.239951630152584,4.923224477423027,0.4422623872011143,5.778050727761498,0.1675364994158101,20.04500589478521,-2.18267224185856,-4.80898932937884,-0.4422623872011143,-5.720771339467474,-0.1420471716249695,-20.04500589478521,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.91808921307876,10.677659029328131,11.411519758946842,12.117145855257702,12.792407548982828,13.435735903790334,14.046183728953196,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_60,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1584776036643714,0.7786869776844395,1.8370070188853576,3.3197299032819485,4.784973182383561,5.771961514976925,6.293917732372435,6.538413097173628,6.630192358108887,2.788338684912928,0.6040440106991736,0.0100511159202214,7.589328075641869,3.925211581124688,4.318271530362326,1.182871117969256,1.5625309122027198,3.1429756250308527,0.0257676771019026,1.7678436928431704,0.6468538378561262,8.325392720125032,1.3052425643906171,2.576799236676236,-0.0256899924605178,1.0988421987707806,0.6288213839120819,-8.323631868253644,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1618,7.280944743058986,8.085606217418535,8.880628580898826,9.66073236981193,10.42141036451136,11.158770251332635,11.869566386052336,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_61,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1602140640985082,0.7865069989424753,1.8950669272781664,3.4586808116058294,4.949272519480919,5.924211663260111,6.431910720083903,6.668053678653988,6.756436522790553,2.9037056205236875,0.6090382393354665,0.0102939517580641,7.748036002214165,4.440214437786502,4.203809560724413,1.2067962011988802,1.8114490195350943,3.699242066643193,0.0839746603169495,2.4832463020706905,0.6486423255988367,10.73673830401446,0.9717024163655992,1.8513359995453549,-0.0839746603169495,0.2999051338300031,0.589860063376972,-10.73673830401446,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.344650897482277,8.13157183273882,8.913613080795832,9.68419323357532,10.437863147898785,11.170056523328128,11.877043557583429,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_62,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006804582251236,0.7238098066124957,2.231970709212492,4.355605289374304,6.230639837525717,7.4076340488929215,8.010110771033963,8.288368963810322,8.392223416865875,3.623333354107552,0.520526698405905,0.0036100658931555,13.150520146924286,6.371285417520944,7.7266561321294756,1.8049254801403083,1.211399374422547,2.6513547706054954,0.2283202182577168,3.0379611204842822,0.1109723123848143,10.623401237267077,-1.0718028081546216,-2.3729503586690583,-0.2283202182577168,-2.8983645542163563,-0.0488518403955873,-10.623401237267077,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,8.07500350148191,8.854775639483918,9.625271043056667,10.382473884882204,11.121888289114874,11.839160574529828,12.530523283611704,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_63,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165698212773499,0.8935879248790084,2.120306183761117,3.920821106655164,5.680410131234053,6.85024752047753,7.464551345879905,7.751368551618496,7.858887966556162,3.275907890979946,0.7042285202866975,0.0232061182284254,11.339291084124191,5.3312776716788095,6.743484030597392,1.6376222686826003,2.2882200300095903,5.024642066753905,0.4472608897142399,5.86630714772351,0.1796437451400677,20.386317944332752,-2.184388867132809,-4.817566387070595,-0.4472608897142399,-5.762475984846727,-0.1334388776598998,-20.386317944332752,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.530284611068046,10.327728392413087,11.09824949072095,11.838195146185951,12.54486604096631,13.21649411696234,13.852164828162548,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_64,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0988947474512951,0.7011406817336903,2.125021207727697,4.131668277273037,5.8902126662281855,6.978482927022787,7.53006037429572,7.7835215465200704,7.877911572813555,3.439719855927,0.5066708441160318,0.003522657298483,12.292078270556836,5.631121676826222,7.353701445864927,1.605730098538602,0.8263806235827433,1.7518318527061814,0.1006194470120923,1.6313361996794813,0.1790779143466476,6.144292058155563,-0.1798138465381797,-0.462351400907356,-0.1006194470120923,-0.984769422634918,0.1086443014381831,-6.144292058155563,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.970838464362035,8.764065064120395,9.547823995013273,10.317732354715371,11.068956322557634,11.79691905811888,12.497750708158431,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_65,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0975462466354647,0.6997130492718672,2.141180209497207,4.166904189306886,5.9209878999510055,6.99724458568345,7.540460081257453,7.789620361888478,7.882338909991564,3.471062383143745,0.5043701589197421,0.0034144320726877,12.324606573551328,5.760198739370539,7.358706212767913,1.6213982802900475,0.7921047290481646,1.6511419706945467,0.0692601471540914,1.3461859062808963,0.2226238285125117,5.345726588322652,0.0995032575072497,0.1270364172922435,-0.0692601471540914,-0.4545779197254821,0.1741417255046477,-5.345726588322652,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.586555097619748,8.425820530654093,9.2578571817508,10.074737948855269,10.869587724415954,11.636815580733955,12.372204370443304,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_66,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174477352561532,0.912882585357873,2.1423636148889464,3.765036922495158,5.233327438715055,6.173682013973755,6.659443063889723,6.8846550885084365,6.968839627886499,3.20261123729553,0.7163421398355977,0.0232142941423869,9.793623471705784,5.152239032960977,5.736901516085043,1.6824748885119107,2.312222357334352,5.0760039646170245,0.450648690378619,5.917411880363304,0.1839726545538755,20.57408559424414,-2.19426454645184,-4.840754804483485,-0.450648690378619,-5.799454069480792,-0.1314814287111575,-20.57408559424414,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,10.01988742543512,10.787167123904153,11.523491817305372,12.227859967167106,12.899462654115377,13.53773506104041,14.142434618862229,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_67,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169365883104863,0.9115840445039562,2.185172735489592,3.974172398428888,5.622362719313699,6.67510265936348,7.216854796030191,7.467493640280235,7.561094239886588,3.346261623951848,0.7147656826453298,0.0231965416199404,11.028163133195044,5.703739367782793,6.340695999994714,1.744688036707891,2.243324280619879,4.930903548761244,0.4431865546473733,5.788816717798866,0.1673045149120211,20.080352496046864,-2.188541265853853,-4.8216470432626215,-0.4431865546473733,-5.73403370303284,-0.1429260733411397,-20.080352496046864,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.922098047265813,10.681599124079062,11.415339182600905,12.120807860705256,12.79588897545558,13.439024631111431,14.049276043455508,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_68,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583929922765943,0.7785302197601801,1.8369227969768824,3.3195656160282216,4.784550422942074,5.771314916927835,6.293141531691472,6.537573874030278,6.629329117124895,2.788232586467303,0.6038903765945167,0.0100392682911939,7.588938842394805,3.9250866520143375,4.317933113127821,1.18257040753484,1.5630936359626628,3.144139672736154,0.0255517927446541,1.7654302105897746,0.6472708198842815,8.319946081570702,1.3085496619521158,2.5840024216392967,-0.0253570020574552,1.1034860177042198,0.6293969017065463,-8.315530825994195,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1618,7.275282717578992,8.081146948869877,8.877099251618072,9.657948941665298,10.41923937990242,11.15710853180213,11.868330387101132,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_69,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1603359980726122,0.7867247980373855,1.8948042170005623,3.457936861739707,4.948930624150825,5.924500799122853,6.432617596549709,6.668972701769295,6.757437655367081,2.903026689190072,0.6092635942694478,0.0103097639081628,7.747864723851058,4.437511192838831,4.206617639881255,1.2064211093474762,1.8114560492998089,3.6992544118511472,0.0839730360811962,2.4832403379493786,0.6486484992861719,10.73674096812297,0.9717256884878458,1.8513840869056608,-0.0839730360811962,0.2999413998382757,0.5898673740293344,-10.73674096812297,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.328064923172355,8.120096246690627,8.905700772289974,9.678733635311962,10.434063717394208,11.167356875749704,11.875052085652191,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_70,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006728606562402,0.7237981122279855,2.231994303060897,4.355681866507203,6.230758888838573,7.407777816572108,8.010266689608425,8.28853039113676,8.392386884375247,3.6233922136928616,0.5205129775281112,0.0036094527845883,13.151172592404782,6.371477724596981,7.72704815865532,1.804935029391972,1.2116853220734818,2.65197484063151,0.2283685110273048,3.038633410291921,0.1110090101465026,10.625796830913506,-1.071999788199567,-2.3733929961500686,-0.2283685110273048,-2.8989478764180063,-0.0488489475726106,-10.625796830913506,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,8.074938651127136,8.854721870715332,9.62522410835189,10.382431003733693,11.12184768040232,11.839121137773905,12.530484378052982,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_71,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216537772938454,0.8936029764729685,2.1204345001298472,3.921039282244642,5.680643194283714,6.85046540075855,7.464755453728461,7.751565076186511,7.859081473452199,3.276104625259656,0.7042266286558081,0.0231908068689594,11.340453835834312,5.331862297550118,6.744067909197554,1.637785722899488,2.288083020511368,5.0243482500409575,0.4472409366389378,5.86601051362287,0.1796201879295502,20.38523383533559,-2.1843263458780102,-4.817421125985921,-0.4472409366389378,-5.762253838989513,-0.1334484677177059,-20.38523383533559,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.530213610710012,10.327653534615246,11.09816810901212,11.838106077864904,12.544769186705816,13.216390061934678,13.85205455073093,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_72,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0989434509535483,0.7012794761972238,2.125204809300857,4.131872722756724,5.890431717409221,6.978711201990671,7.530293394020769,7.783756754843014,7.878147596771038,3.439918252596951,0.506793018658925,0.0035265272359013,12.292884305296456,5.63180091609676,7.354094969737004,1.6060133141215798,0.8259557033591342,1.7509522626383818,0.1005882635901615,1.6306618120804268,0.1789472937632618,6.141543788598903,-0.1799269325424813,-0.4625447835601902,-0.1005882635901615,-0.984633041263774,0.1085355092501487,-6.141543788598903,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.970832716633613,8.764039404461597,9.54777877033335,10.317668765012137,11.068876196903618,11.7968245923967,12.497644237433963,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_73,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.097559362909992,0.6997548389477877,2.14125225069861,4.166969449359397,5.921021547177524,6.997252484413142,7.540453796173081,7.789607361334407,7.882323380403939,3.471134705673438,0.5044048450297854,0.0034155354813912,12.324991718927352,5.760409887482518,7.358986358092927,1.621517319039523,0.792217388163143,1.6513948283075182,0.0692874756058172,1.346517193009681,0.2226227209716913,5.34683645293206,0.0993426321049707,0.1266878981141947,-0.0692874756058172,-0.4549571727415671,0.1741214880476193,-5.34683645293206,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.586724798443227,8.425981572521307,9.258013386290688,10.074890761015563,10.869737450309731,11.636962025714084,12.372347164764296,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_74,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174723942216694,0.9129518950418348,2.142462193574425,3.7651342195234703,5.233406400966023,6.17374562980393,6.659498053054999,6.884705941761441,6.968888914263745,3.202712311957365,0.716402687678659,0.0232163597018793,9.794139682731368,5.15260673107817,5.737168697654241,1.682631383427161,2.312255866184542,5.07608227529792,0.4506598273273575,5.917534484803402,0.1839666842133253,20.57447587746985,-2.1943424070890347,-4.840921568150796,-0.4506598273273575,-5.799621025707894,-0.1314951949158246,-20.57447587746985,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,10.019919185557765,10.787205986987631,11.523533330381538,12.227901172986837,12.899501735883751,13.53777100566838,14.142466950285934,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_75,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169092260634137,0.9115899148189665,2.1852545291328225,3.97430601790864,5.622511693953347,6.675251214680079,7.217000700952896,7.467637822481995,7.561237702428727,3.3463824594782245,0.7147586106204297,0.0231848189910873,11.02886891490848,5.704101883076025,6.341064212490724,1.7448320204989116,2.243145454360478,4.930499516071919,0.4431405894880743,5.788270170265072,0.1673111219002731,20.07853906156388,-2.188260440520265,-4.821039588719691,-0.4431405894880743,-5.733385156424859,-0.1428872907413785,-20.07853906156388,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.921955270157904,10.681479611020782,11.41523772735458,12.12072054289864,12.79581284091186,13.438957444413086,14.049216102554151,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_76,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583942752403787,0.7785387683024044,1.8369799896386945,3.3196652042975767,4.7846648996804255,5.771434687003926,6.293263576378797,6.537696927389839,6.629452543412246,2.7883218386786184,0.6038947254976804,0.0100396263361609,7.589441396296245,3.925308675583471,4.318280029139825,1.1826551697628958,1.563153608209659,3.1442911746891293,0.0255804528889118,1.765708372163027,0.6472416545174874,8.320784137109326,1.3083282320508196,2.583534683532042,-0.0253846223428561,1.1030318404526729,0.6293477400964994,-8.316345311398731,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1618,7.2750351435072895,8.080903177917088,8.876863155771234,9.6577215246807,10.419020446939632,11.156897500450384,11.86812664596906,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_77,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1603044680838017,0.7866549818021563,1.894718918111795,3.457835772145389,4.94882054507404,5.924386984977057,6.432502190673997,6.668856605413916,6.757321306600462,2.902930483018765,0.6091994376055843,0.0103056862544207,7.747638739776715,4.437178316882364,4.206663575729803,1.206333822364953,1.811542600034886,3.699453086896445,0.0839983147756753,2.4835291182402885,0.6486396168111331,10.737679295687936,0.9715594522781328,1.8510264911340248,-0.0839983147756753,0.29957293407273,0.5898407964681606,-10.737679295687936,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.328492858944226,8.120438132289602,8.905974914662288,9.67895367570373,10.43424014351096,11.167497936689925,11.875164369219776,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_78,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006777432421902,0.7237703936143784,2.231512582842384,4.354288960999554,6.228535307370319,7.405020670483115,8.007231641309277,8.285365845547954,8.389173820375484,3.622319828761845,0.5205071477631771,0.0036100002052575,13.144587478648472,6.365715000085365,7.725170554959174,1.804207261958918,1.2103966299229267,2.6490004031862324,0.2279763380563171,3.0342073343734635,0.1111708664601078,10.611509910740978,-1.0693667506402442,-2.3677374634388144,-0.2279763380563171,-2.8931774550907803,-0.0484125701793139,-10.611509910740978,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,8.080268468973541,8.86002553826522,9.630559208270206,10.38782357437154,11.127298989394529,11.844615971401344,12.535998321668645,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_79,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216529692214574,0.8936046158267217,2.120536835061315,3.920375303010832,5.678537240636787,6.847259658103676,7.460956386810257,7.7474876762216,7.854899665423507,3.2758342293332463,0.7042123105203499,0.02319233339493,11.33307400190628,5.329722541698216,6.73967211273367,1.6378916078853734,2.2888250381253687,5.026172947003986,0.4475754184912438,5.869428386055319,0.1793232322947066,20.39563356045172,-2.18692914678707,-4.822956876113451,-0.4475754184912438,-5.76753249471702,-0.1339795606491637,-20.39563356045172,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.523290936490934,10.32103638187388,11.091917415888194,11.832250593944355,12.539315449211976,13.211329974899286,13.847370923104735,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_80,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0989257878659687,0.7012546261175174,2.125315788811445,4.1322621358329865,5.891113770484448,6.979586981090955,7.531270071689647,7.784780345911837,7.879188743585312,3.4402029009511352,0.5067597466472715,0.0035254993542729,12.294299309355663,5.63180057634209,7.355059340869269,1.6062843717376976,0.8194680671423877,1.7372579817337743,0.0998553282978373,1.6183106935250868,0.1774345493199174,6.094446901668687,-0.179085215835986,-0.4601104422308522,-0.0998553282978373,-0.9779278422186852,0.1075358195114313,-6.094446901668687,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.962834286654336,8.75665305509277,9.54091815256385,10.311274461164624,11.0629038530869,11.791238463732972,12.49241377700871,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_81,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0976320352531562,0.699972152419863,2.1414399275417257,4.167096722951672,5.921224144343148,6.997549123214594,7.540807706934604,7.789989267873897,7.882715948328456,3.471265667127536,0.5045987833823493,0.0034204705098039,12.324118132568294,5.760823442515462,7.358851434086133,1.621848531100207,0.7925171974528609,1.652173737372752,0.0694630164912459,1.3482213293828282,0.2224269969454369,5.351846317089222,0.0978870325404015,0.1236039387143102,-0.0694630164912459,-0.457817099389566,0.1738028854015648,-5.351846317089222,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.5720835629514465,8.41214468556924,9.24499755438808,10.062671459992997,10.858270284835578,11.626195211165475,12.362228235595031,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_82,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174453504695504,0.9129133214475847,2.1422593749314385,3.7645787061031184,5.232660716339441,6.1729523636518575,6.658698935852769,6.883907875356739,6.968091811061845,3.2022690060661865,0.716368153732337,0.0232083980617159,9.7910591236527,5.15084456866925,5.736349493614335,1.6823540082457382,2.313596459310583,5.078954076009512,0.4508520551531524,5.920412900535801,0.1842028209810484,20.58502339961596,-2.194924092220941,-4.842279840704286,-0.4508520551531524,-5.80174053344616,-0.1313936176261579,-20.58502339961596,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,10.019037257597128,10.78631927986086,11.522644741746324,12.227015455719814,12.898623571071488,13.536904399004692,14.141615091264526,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_83,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169596095969824,0.9116052989964072,2.1850639092860824,3.9735907436754734,5.621014593915741,6.673127302456683,7.214522911943635,7.464990018386387,7.558525450280615,3.3458899164280083,0.7147930528996316,0.0232029308998213,11.022682035765042,5.701646160919005,6.338036516735105,1.7446457728350695,2.2400009014197275,4.923327734916359,0.4422672303565675,5.778138744272268,0.1675493442132146,20.045349114229992,-2.182671402145948,-4.808992648039696,-0.4422672303565675,-5.720809244998487,-0.1420377170363823,-20.045349114229992,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.918187704453528,10.677741638908786,11.411588202968876,12.117201760707816,12.7924524426142,13.435771202482426,14.046210731410758,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_84,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1584714021270608,0.77864811743127,1.836960778397437,3.3197078105515923,4.784976230395563,5.771980301001556,6.293944493309656,6.538443520069388,6.630224144186161,2.788307150944955,0.6040121549204681,0.0100517912567534,7.589366612929961,3.92514116018168,4.31829560618694,1.182840101200046,1.5626113489076807,3.143155223354427,0.025782053281628,1.768018549676522,0.6468587504072018,8.32601744223651,1.305188890537111,2.576683717742154,-0.0257024383924859,1.09866708132028,0.6288163553863747,-8.324212838082623,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1618,7.280737138214026,8.085408509894064,8.880440881737119,9.660554315941924,10.421241412709904,11.158609823082848,11.869413931033815,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_85,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.160223611090768,0.7865676175392203,1.8951615899203555,3.4587835391003976,4.949386729043359,5.92433718039754,6.432043009621602,6.668189282345574,6.75657339069134,2.903805908695253,0.6090868928058846,0.0102929907277493,7.748432754944184,4.44045073980361,4.204106685787103,1.2068934213956275,1.811420948992503,3.699189563511573,0.0839780350223323,2.483245229171162,0.6486235066347908,10.73666544540916,0.97164059876918,1.8512092342669384,-0.0839780350223323,0.2998163185905212,0.5898388821191582,-10.73666544540916,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.344700739706539,8.131622939445034,8.913661845946837,9.68423776842416,10.437902632312554,11.17009078199953,11.877072785883332,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_86,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006708694420005,0.7237295277270519,2.2314528143133745,4.354235300128956,6.2284896994318455,7.404979352951035,8.007192219224375,8.285327228420732,8.389135492271794,3.622263067199051,0.5204743116160069,0.0036101909322359,13.14462051642069,6.365437298085044,7.725298030702454,1.804111854438312,1.2105260473384027,2.649285389716424,0.2280024123985994,3.0345453465271985,0.1111795678182152,10.612678484664004,-1.0694980766475917,-2.3680262563692045,-0.2280024123985994,-2.893517375836387,-0.0484221208608042,-10.612678484664004,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,8.08024909225693,8.860014634958679,9.630556553891797,10.38782854876763,11.127310749900229,11.844633579317348,12.53602082921252,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_87,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165109096827792,0.8936004264338636,2.120547446233032,3.920389317208168,5.678549081044318,6.8472672638681,7.460960949911377,7.74749064086465,7.854902002965586,3.275847775939049,0.7042034022115672,0.0231841872188695,11.3332064600845,5.329752702861838,6.739780476413452,1.6378980412643316,2.288745875981842,5.025996443971674,0.4475573527000571,5.8692046975823,0.1793218784993126,20.394876433910355,-2.186827651018729,-4.822735832016489,-0.4475573527000571,-5.767286472619187,-0.1339682683907271,-20.394876433910355,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.523401834501174,10.321141230728417,11.09201863048473,11.832349531780448,12.539412799107708,13.211426011894654,13.847465676650147,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_88,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0989417885158719,0.7013080700324507,2.125373825536535,4.132279585127352,5.891077282042804,6.979514040614999,7.531178428243306,7.784680114949082,7.87908531934865,3.440237970698626,0.5068066247988721,0.0035262133532451,12.294200233368652,5.6319756722227226,7.354938104389211,1.6063769614870074,0.8196132763884187,1.7375489025585142,0.0998566112775542,1.618466166608853,0.1774967618474321,6.095198607493178,-0.1789528363871234,-0.4598477540419308,-0.0998566112775542,-0.977805726607557,0.1075971339531443,-6.095198607493178,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.962867059587903,8.756691644562023,9.540963719121113,10.311327237104688,11.06296346102078,11.791304157292116,12.492484618739596,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_89,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0976158175911441,0.699936289477384,2.1414634373438965,4.1672272614665165,5.921422231557745,6.997775953277131,7.541045756252845,7.790231781717733,7.882960018400854,3.4713621130832824,0.5045631730518937,0.0034191051486912,12.324846285436136,5.761161570617594,7.359207279361523,1.6219200412414685,0.7923664546391197,1.6518530246638548,0.0694435416284285,1.3479147876665485,0.2223964317611047,5.35070310576417,0.097931038354834,0.1237117804886369,-0.0694435416284285,-0.4576172946725945,0.1737859526212047,-5.35070310576417,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.572049974868714,8.412114929877704,9.24496942212912,10.062643743157436,10.858242388518192,11.626166908997527,12.362199513674556,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_90,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175085069036308,0.9129784543699064,2.14226240353548,3.764518175285581,5.232574086113537,6.17286147375463,6.658608916507435,6.883818888123054,6.968003306206478,3.20222612059301,0.716439574386737,0.0232279885971175,9.79070346921843,5.150812380628789,5.736112372071339,1.6823907132555658,2.313638979801656,5.0790369908368,0.4508502259622773,5.920440787499874,0.1842251723324666,20.585199418253826,-2.194863279821117,-4.842156673580614,-0.4508502259622773,-5.801665087519336,-0.1313699858411271,-20.585199418253826,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,10.01899524832174,10.786286866896967,11.522621629100726,12.227000987669127,12.89861689223076,13.536904569879365,14.141621167782512,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_91,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169033395051521,0.9115617730370876,2.185056418571587,3.9735897778106817,5.621017918201564,6.673137267333006,7.214537543307458,7.465007081224915,7.558543463869985,3.3458882926983766,0.7147411013229659,0.0231835560422186,11.022697321426538,5.7015368006609695,6.338092822118148,1.7445897675901008,2.2399903842466315,4.92330927769813,0.4422696723366988,5.778147762940222,0.1675400853584407,20.045345367967133,-2.182706339120356,-4.8090648423005415,-0.4422696723366988,-5.720863717813947,-0.142048685277248,-20.045345367967133,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,9.918112847800243,10.677677508753684,11.411534133674426,12.117156936116276,12.79241596660314,13.435742155435088,14.046188213024555,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_92,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1584776121975211,0.7786888942942972,1.837028024952316,3.3197884266417,4.785062250155098,5.772067195898963,6.2940311489986085,6.538529918508707,6.630310423692189,2.788384214196535,0.6040448427633068,0.0100511159206253,7.589771220020528,3.925345801277177,4.318537608159008,1.1829024323290394,1.5625288732938518,3.14297162010968,0.0257677359619993,1.767842121548216,0.646852819555998,8.325383692471597,1.3052399384121225,2.5767939398778203,-0.0256900510143464,1.0988391008906178,0.6288203244292832,-8.323622833658133,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM1618,7.280937569162719,8.085602940145334,8.8806289170227,9.660735878190213,10.42141654815591,11.158778617562458,11.869576479232837,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_93,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1602107636011869,0.7865505605990822,1.8951797272681408,3.4588603531866444,4.949498559758183,5.924463948607177,6.432175909478175,6.668324735919064,6.756709757027084,2.903864442897299,0.6090685255906692,0.0102906449523537,7.748942205725283,4.4406131967357725,4.204394566242395,1.2069044399026043,1.811355376975463,3.6990480918607385,0.0839676586936351,2.483096646524544,0.6486137827035151,10.736130058750014,0.9716787900391116,1.851296099124777,-0.0839676586936351,0.2999375204900306,0.5898364216179706,-10.736130058750014,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.344665161115062,8.131582202239692,8.913620372236482,9.684198200034947,10.4378664261267,11.170058622343053,11.877044868027612,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_94,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1281715201149315,0.7189038786658398,1.9919549684458333,3.927770922553397,5.826299841280133,7.091821009492443,7.757284690853988,8.068172250383526,8.184742489778195,3.2333522537554904,0.5394930661382272,0.0076938571470304,11.354983892041789,5.273183269532637,6.734851346890297,1.4558290582033042,1.5580274381807628,3.292815421095004,0.1799821531888157,2.997884663691289,0.3558556727614096,11.389780254680128,-0.2417940937073953,-0.667785450544545,-0.1799821531888157,-1.6816513192179217,0.2298681655292387,-11.389780254680128,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.255973579904577,8.148935530806826,9.019947533876303,9.861529058650383,10.669105823239596,11.44000413064816,12.17283061410105,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_95,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1281711874297901,0.7189019474960947,1.991751385455776,3.9262876662791646,5.8229544111188165,7.0871357524531415,7.751889760067935,8.062446594056397,8.178893076118595,3.2324378323862346,0.5394923199932681,0.0076938385202959,11.344270769230018,5.267676715370653,6.730121635883802,1.4554311342194497,1.5543482206725605,3.2846706896300217,0.1791993440720273,2.987942973248779,0.3556861880642379,11.355727984803348,-0.2376452200477132,-0.6587040603338582,-0.1791993440720273,-1.6712399726239324,0.230246647213819,-11.355727984803348,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.259417791746429,8.152831755143184,9.024311453734963,9.866346158327918,10.674338644436157,11.445600211868472,12.178729521949624,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_96,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1281846289685312,0.7189632596887348,1.9921058358758683,3.927986375702744,5.8265222396760405,7.0920331464143125,7.757488582659813,8.068371778214997,8.184940307131301,3.233553778823474,0.5395387566532222,0.0076945391176394,11.35593652459916,5.2738310415652645,6.735343409321827,1.4560344784632795,1.558088578509226,3.2929608169923226,0.180004908237988,2.9981278444131303,0.3558402144903781,11.390541057305892,-0.2419605038706539,-0.6681407913368866,-0.180004908237988,-1.681999769774558,0.2298367787237866,-11.390541057305892,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.256002465949503,8.148955235080821,9.019956378639284,9.861525690960082,10.66908941480419,11.439974429265137,12.172787894322267,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_97,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1282115245638961,0.7189193432327387,1.9916632793735192,3.9261341121407134,5.822803097400041,7.087001577322129,7.751767295226085,8.062330052408678,8.178778818618975,3.232296420537106,0.5395237058812964,0.0077032652067709,11.343616523932438,5.267333419737412,6.729787993000156,1.4553674682437152,1.5543131531744363,3.2845823874527444,0.1791815311386964,2.987765402284008,0.3557039822775684,11.35519638864611,-0.237502158212528,-0.6584003796504628,-0.1791815311386964,-1.6709544073220994,0.2302769104804809,-11.35519638864611,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1618,7.259412522161001,8.152822649550592,9.024297097891589,9.866325373080464,10.674310623702654,11.445564563510638,12.17868623828094,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_98,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671378552554369,0.3569348375490211,1.215832423126895,2.864703659862738,4.605875897666218,5.784518595555007,6.405985208727167,6.6964481630681805,6.805366854695203,2.248571272749599,0.2630547322919578,0.0046271588649271,7.759856083648626,2.067111900386188,4.975280400556597,0.307333539380058,7.123223856954966,16.44797367002282,0.563166948976186,4.27000285446543,0.8353473787551559,20.65372087636681,2.6881849354437306,7.200366828207838,0.1726887104537163,-4.27000285446543,-0.8353473787551559,6.986982528080379,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.275859835005248,16.036981238933993,16.716791650421452,17.327043546973314,17.877249749881436,18.375120751945552,18.82696874647,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_99,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0682848153225096,0.3465016217177906,1.1427833358937305,2.7007756469822337,4.32915767016216,5.414544857254676,5.981587584033378,6.245444165236718,6.34420014717714,2.118481544660445,0.2588576154824042,0.0048048036024943,7.156761300108044,2.067774227823922,4.42547203837654,0.2721043381785946,7.146152211742442,16.975753926180136,0.4911451043464671,1.2524109595848367,0.5524114259717877,15.757526815289214,5.951050570830015,14.592302968626434,0.4911451043464671,-1.2524109595848367,-0.5524114259717877,15.757526815289214,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM1618,15.40494737686683,16.181245396826355,16.863383500524296,17.468796695976412,18.01041594660279,18.49799682268209,18.93905897949898,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_100,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0668436983524945,0.3397172537867,1.1274607001497272,2.684570651644635,4.301261992820474,5.371318379392367,5.928302030086663,6.187051058743568,6.283829651956314,2.1031039507250187,0.2539824191042392,0.0046137169418573,7.22032289611951,2.065770740265568,4.311016815431972,0.2184407364338686,7.302812119788748,17.228002448230253,0.5744931313124788,2.72313505538165,0.5783124296300163,17.856962298632986,4.931350700087157,12.259877854888448,0.343069080178214,-2.72313505538165,-0.5783124296300163,9.75712050893372,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,16.166643649725906,16.85057853148789,17.456932504981427,17.999763251108995,18.489234391387097,18.93290449221442,19.336580971250484,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_101,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0701942398696565,0.3437840119601613,1.0237500972480502,2.2748531318734138,3.594992317519625,4.485963280245308,4.954547429903911,5.173256417278008,5.25521907207686,1.807483054771378,0.2601051232578579,0.0050789251044988,5.988242132309988,1.410153556331597,3.801117887430765,0.1115261556430553,2.112518210524584,4.653731984328881,0.2364555381999529,3.132182379155762,0.3452099207602606,8.789564774120413,-0.9498780278999898,-1.85143197855065,-0.1492575245031084,-3.132182379155762,-0.3452099207602606,-4.710392420486736,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.570539334123326,16.298538154290704,16.94197307683252,17.516215904103454,18.032711033064093,18.50009484191025,18.92500958577105,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_102,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671251443010702,0.3569326128263587,1.2159092010738752,2.8648687813577656,4.606099418038117,5.78477145940459,6.406251108268164,6.696719647185819,6.80564035374432,2.248709062510477,0.2630439074977497,0.0046253344659688,7.760532668146604,2.067400965183375,4.9756487727274825,0.3074120896659189,7.124287256034549,16.450514214538902,0.5632444954691348,4.270181357981294,0.8354136514418958,20.655977161166533,2.6891285597072274,7.202663791985342,0.1727616907114983,-4.270181357981294,-0.8354136514418958,6.989078994649256,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.28755596916549,16.047330679237653,16.725995033906376,17.335266915320723,17.884631033432534,18.38177495765047,18.83299215235963,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_103,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0682962167110018,0.3465305920371659,1.1428324588221788,2.7008234676806806,4.329194834301387,5.414576297973908,5.981616843517056,6.245472613690114,6.344228325813317,2.118532308195712,0.2588823582524869,0.0048063843208045,7.156870826305438,2.067822430673724,4.42554856593563,0.2721257424231404,7.147389354155225,16.978746281891265,0.4912397803947323,1.252511989418436,0.5524554374872568,15.759862368057004,5.952338123037638,14.595395859111918,0.4912397803947323,-1.252511989418436,-0.5524554374872568,15.759862368057004,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM1618,15.398463569443388,16.1754688725995,16.85821673449502,17.464155170978074,18.006227883793134,18.49420176905497,18.93560612048859,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_104,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0668561078141616,0.3397284963816429,1.127394321971139,2.6844272037906216,4.301098122531904,5.371157830315311,5.928146725217668,6.186898856187768,6.283678708700808,2.102979829759695,0.2539993240682233,0.0046154364866952,7.2199779063617,2.0655102958931475,4.310836460759481,0.2183597782502781,7.300115508182096,17.221419460582293,0.5743133828468331,2.7235174447382966,0.5782342926227627,17.85266378426627,4.928024660109189,12.251944505648517,0.3427971297750134,-2.7235174447382966,-0.5782342926227627,9.749594926752582,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,16.17740949509911,16.859913636107883,17.465084885100264,18.00693013472193,18.49557372089759,18.93854377102082,19.341623971613217,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_105,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0701918208807734,0.3437829329534418,1.0237457975421311,2.2748196636269435,3.5949229822145554,4.485866873121285,4.954435715067874,5.173137295095532,5.25509713045049,1.8074612909686791,0.260102902498135,0.0050785638809116,5.987806014569856,1.4101439242020828,3.800841074767306,0.1115554340701978,2.112406683304969,4.653447689511016,0.2364654383360601,3.1324693439884896,0.3451972051972366,8.789656362981427,-0.9501922219650218,-1.852173795487955,-0.149299353735564,-3.1324693439884896,-0.3451972051972366,-4.712111359525421,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.566522551106685,16.294988094479027,16.938829141926707,17.513423863652438,18.030223564490125,18.497871167148293,18.923014780233206,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_106,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671802617646379,0.3572479577656863,1.2167627458072945,2.8655830437502243,4.60626461869099,5.784500662291996,6.405740932095229,6.696096068184709,6.804974040256993,2.249553807188536,0.263258867301227,0.0046325077830036,7.755834281668084,2.0683660258141887,4.97203457487177,0.3080516282993037,7.139110933443276,16.486472301511874,0.5645039238625053,4.272506090674191,0.8357264625400497,20.684194325422485,2.7044040447822275,7.239253415355272,0.1737596995044075,-4.272506090674191,-0.8357264625400497,7.008146472889065,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.1743615352138,15.945774771547253,16.634909410506822,17.253461190745952,17.81098597087531,18.315281847665624,18.772762983991843,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_107,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.068333247600627,0.3465028671409469,1.1417437270875417,2.698129415727557,4.3255168278715015,5.410401674285981,5.977205051976203,6.2409533767063845,6.339669211909947,2.1163282393952896,0.2589097019423876,0.0048116529782016,7.150056773881693,2.0634308229350493,4.4233275140365365,0.2707462961760369,7.13899332129872,16.958642850546532,0.4906341395780216,1.25138364636246,0.5519593812355146,15.742511596987384,5.94458373411519,14.576572090347062,0.4906341395780216,-1.25138364636246,-0.5519593812355146,15.742511596987384,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM1618,15.641398239666772,16.389425335468736,17.04762591213645,17.632723773591145,18.15702695248705,18.629770613225222,19.05804849305158,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_108,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0666948330684466,0.3394967231743877,1.127740228079263,2.684802366779381,4.300682948124948,5.369977202113532,5.926512449306177,6.185042699504367,6.281737854811217,2.10347466491284,0.2537324065428636,0.0045933263452425,7.216952356756226,2.0670312602964183,4.306787474541957,0.2179002120935448,7.336221687285295,17.30769697266572,0.5773465185226797,2.7345318352723136,0.5800386560781515,17.932835702697822,4.957727646307264,12.32428616659909,0.3446996814967621,-2.7345318352723136,-0.5800386560781515,9.79019640679071,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,16.654559434732402,17.27763470248939,17.833777981212737,18.33477444376203,18.78904817098916,19.202826824911348,19.580895331491966,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_109,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0702495099180443,0.3436128637722236,1.0220636839953667,2.2705512267885792,3.588203731550183,4.477516791393095,4.945221736485876,5.163517739408144,5.245325149762744,1.804107753558006,0.2600610514962423,0.0050875124709841,5.982390162367036,1.405667129802301,3.796480427055276,0.1093076285270741,2.059916847362195,4.532450297034631,0.2327494413667498,3.1055492263276694,0.3384146968589899,8.63964582780831,-0.9714326447374966,-1.908887708290348,-0.1511131261698974,-3.1055492263276694,-0.3384146968589899,-4.79554403597434,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.637801572317672,16.351358684269957,16.984404271803584,17.55101083349554,18.061773159551105,18.524764607650617,18.94624863123849,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_110,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.067165035422458,0.3572136217873418,1.2166983819957926,2.865461692202333,4.606086839789528,5.784287536795824,6.40551014759425,6.695857263564331,6.804732266541931,2.249453464708339,0.2632284371370277,0.0046304112315306,7.75513309525992,2.068167590994037,4.971587780369213,0.3080153170942495,7.13898899559727,16.486216923965078,0.5644974555156472,4.272356866955331,0.8356885784306604,20.683634373359883,2.704493368092218,7.239430182412064,0.1737637217610645,-4.272356866955331,-0.8356885784306604,7.0079536919494885,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.165465246120329,15.937891689999894,16.62789570968869,17.24719502276474,17.805364404716848,18.310218028350874,18.76818358574169,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_111,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.068336887453037,0.3465006722545776,1.1417068665790688,2.698064957628897,4.325440057766483,5.41031829395505,5.977118126868176,6.240864742453076,6.339579926193876,2.116270756486794,0.2589113982314855,0.0048121876746982,7.149904444262231,2.063293809416179,4.423257369760263,0.2706972935758189,7.137767554588587,16.95567948788019,0.4905406005769657,1.2512803476649987,0.5519143487051549,15.740186682812997,5.94331512746383,14.573523289843934,0.4905406005769657,-1.2512803476649987,-0.5519143487051549,15.740186682812997,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM1618,15.64847484271892,16.395705128393633,17.053223785099163,17.637737288415337,18.161537960842125,18.633847529274377,19.061748539638533,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_112,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0666928820623534,0.3394943007642028,1.1277482774382863,2.684808569789378,4.300681425816123,5.369971934396627,5.926505927416278,6.185035767178533,6.281730797300598,2.1034831983834428,0.2537291473569336,0.0045930637576315,7.216642259893383,2.067071971088259,4.30653920108702,0.2179341550822202,7.338468394604834,17.313145759557024,0.5775041903226991,2.7344716754928107,0.5801228242498245,17.936813814913815,4.9602385943199865,12.33030470877858,0.3448988338466625,-2.7344716754928107,-0.5801228242498245,9.795626338252536,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,16.64719059081525,17.271252707888387,17.82821677721026,18.32989971787964,18.784750989876947,19.199018418111816,19.57750295772802,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_113,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0702663922868527,0.3436302569694118,1.0220294605715474,2.270478049550205,3.5881189293454754,4.477431970730012,4.9451387016761865,5.163435905553771,5.245243822759263,1.804044110243144,0.2600837235287473,0.0050899844778037,5.982187527821649,1.4055647720433293,3.7963060992776776,0.1092638845543506,2.0599408406027737,4.532506621370548,0.2327375589050436,3.105386354730192,0.3384317023229058,8.63957912355091,-0.9713342311188669,-1.908648996597582,-0.1510920631937505,-3.105386354730192,-0.3384317023229058,-4.794457649906884,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.647106838468243,16.359588275600874,16.99170935551798,17.55752081535752,18.067597858667224,18.529996907624653,18.95096705847454,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_114,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671096193748007,0.3568878417571975,1.2158058041380526,2.8647001402197,4.605890292402687,5.784544401930625,6.406016995488377,6.696482747664436,6.805402489447894,2.24856045693603,0.2630073664843061,0.0046232284448754,7.759807866132408,2.067102038360051,4.975239082997208,0.3073350822116806,7.123222400316172,16.448003701280165,0.5631643076222485,4.269822301549603,0.835324236593364,20.65339239676693,2.688397012676571,7.200844453662118,0.1727071483522072,-4.269822301549603,-0.835324236593364,6.987391822315487,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.273494914584814,16.034871103994792,16.714902501229993,17.325346036810316,17.875718678962148,18.3737346107166,18.82570921968599,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_115,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683039525944169,0.3465472885582003,1.1428475774296498,2.7008416444352044,4.329224777078422,5.41461588825834,5.981661753888814,6.245520043875078,6.344276705129884,2.118547887209512,0.2588977536288964,0.0048074642772819,7.156900555478612,2.067871068574423,4.425529195989519,0.2721339283122638,7.14652385769069,16.976623854940364,0.4911683174294861,1.2525040485368562,0.5524526184246061,15.758441046321014,5.9512979404289394,14.592925046849398,0.4911683174294861,-1.2525040485368562,-0.5524526184246061,15.758441046321014,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM1618,15.406708187825274,16.18281941330454,16.86479515434048,17.470067604058702,18.011564724502012,18.499039309080967,18.940008594275376,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_116,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0668716807773539,0.3397769528794062,1.1275138978942134,2.684592606139461,4.301260025568302,5.371303465277819,5.928280899487654,6.187027125334847,6.283804681732593,2.103136544820479,0.2540376289993782,0.0046175436421534,7.220292744453414,2.065794248456964,4.310940576096091,0.2184122678710769,7.303028925555516,17.228503973206234,0.574516107540513,2.723334337120844,0.578330846011906,17.857636948634738,4.931402339456184,12.260023360538822,0.3430662373353647,-2.723334337120844,-0.578330846011906,9.756891491454551,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,16.163802368745706,16.84811059374723,17.454770964359852,17.997855430674942,18.48753861778281,18.93138754477236,19.335216135726867,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_117,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0702089892771811,0.343822049775584,1.0238128756107467,2.2749384561129458,3.595094242258273,4.486073253755944,4.954660689376631,5.173370997386885,5.255334113018041,1.8075610136050144,0.2601376722250784,0.0050810189864945,5.988497008162592,1.410275721525242,3.801183432675995,0.1115296389914425,2.1124440002704787,4.653532857599665,0.2364478334741826,3.1322378189383384,0.3452245798206973,8.789582674797003,-0.9500588681030104,-1.8518475973877373,-0.1492689485616224,-3.1322378189383384,-0.3452245798206973,-4.710504696456175,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.57109285344186,16.299036997241657,16.942423761717347,17.516624542588456,18.033083035269865,18.500434864874848,18.925321586780072,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_118,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671017155664741,0.3568905915707966,1.2158934270782793,2.864891023791993,4.6061430336281575,5.784823859608476,6.406306925671764,6.696776828666848,6.805698011892451,2.2487199047295907,0.2630023190935392,0.0046220962378938,7.760654666108373,2.06744223883426,4.975710073450041,0.3074063664671618,7.124182732271334,16.450251014177034,0.5632416895870064,4.27028407552547,0.8354123077495735,20.655921575358107,2.6889268323178865,7.202188838256716,0.172741527757185,-4.27028407552547,-0.8354123077495735,6.988415911314354,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.289794502864211,16.049320909253026,16.7277707762957,17.336857218656153,17.886060694785428,18.383065075689625,18.83416066123559,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_119,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683152544328241,0.3465699977260711,1.142861122363634,2.700828991251477,4.32919809850411,5.414586592130423,5.9816328104580485,6.2454916176480895,6.344248526666457,2.1185437301342422,0.2589191691720012,0.0048090460864073,7.15686520436625,2.067807453718088,4.42556717861588,0.2721356668143724,7.147948727414584,16.980078100951047,0.49127877033318,1.2526034834164257,0.5524957624169776,15.761073643523606,5.952818481470213,14.596570094951892,0.49127877033318,-1.2526034834164257,-0.5524957624169776,15.761073643523606,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM1618,15.39667403700522,16.173872576176578,16.856787318500153,17.462869748869288,18.00506698614019,18.49314897106992,18.93464759141765,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_120,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.066873373692061,0.3397578255899767,1.1273900496410392,2.6843814665497945,4.301027177469622,5.371072500894509,5.928053918258334,6.186802525521473,6.283581048937487,2.10294620865896,0.2540294621324733,0.0046178114745439,7.219804678213448,2.065409266387952,4.310772995440735,0.2183255498121507,7.300024675978835,17.221196065847554,0.5743100773177442,2.7235722025416407,0.5782299611084343,17.85255942620324,4.927886113326695,12.251615030507672,0.3427832318801705,-2.7235722025416407,-0.5782299611084343,9.749119835888164,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,16.180252643600745,16.8623814611121,17.467244432515965,18.008834196830236,18.49726412212038,18.940053914012488,19.34298077030656,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_121,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0701806697880701,0.3437668526253771,1.0237423463230275,2.274822355365085,3.5949301735132275,4.485878441414352,4.954450055845587,5.173153035303514,5.255113411796138,1.807462537347408,0.2600856565493216,0.0050769345928101,5.987883401895397,1.4101677591444948,3.800828395287188,0.1115412199348565,2.1125461144976825,4.653714469192968,0.2364911713648256,3.1329822014404933,0.3452401165516264,8.790694228404297,-0.9505550691966248,-1.8529790726142816,-0.1493418429672462,-3.1329822014404933,-0.3452401165516264,-4.7134612732182175,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.566116256068469,16.294620806525817,16.938497029553854,17.51312296236478,18.02995016311404,18.49762194973506,18.92278685153528,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_122,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671801986191428,0.3572432461981236,1.2167355382606009,2.8655178779429185,4.6061641679707925,5.784378429852426,6.405607816214615,6.695957999476094,6.8048341357122,2.249502187071301,0.2632563397855748,0.004632507770163,7.7553995781498,2.0682832345076307,4.971728394130625,0.3080365757477863,7.139091569970476,16.48642589401666,0.5645030966981979,4.27251084015849,0.8357247361124132,20.68415999294399,2.704382434559617,7.239201064362182,0.173757453641559,-4.27251084015849,-0.8357247361124132,7.008062485961629,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.173264198829042,15.94479724684416,16.634035685754736,17.25267735905591,17.810280088915537,18.314643724564544,18.772183949554663,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_123,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683331791682768,0.3464969143849697,1.1417143792710074,2.698083414786943,4.325470510332141,5.410359842889717,5.977166555590841,6.24091662168659,6.339633136925495,2.1162856834069164,0.2589065475594141,0.0048116529682132,7.149880650372882,2.063372702837793,4.423225529693769,0.2707379477230871,7.138988278931234,16.958630750720122,0.4906337710908329,1.2513830258412404,0.5519591087884437,15.742501370295638,5.944578950157642,14.576560505880508,0.4906337710908329,-1.2513830258412404,-0.5519591087884437,15.742501370295638,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM1618,15.6421139931404,16.390065418845616,17.048201014299888,17.633243056052635,18.15749811020705,18.63020005836898,19.058441563778416,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_124,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0666948333125964,0.3394968558503387,1.1277425260609475,2.684814198662305,4.300710006571291,5.370016709316635,5.92655908208196,6.185092781597246,6.281789248900608,2.103482261419336,0.2537324596041958,0.0045933263452435,7.217029678111178,2.067045251933948,4.306851943558944,0.2179055689287738,7.336022176197123,17.307222419921114,0.5773296316774466,2.7344596842640625,0.5800271380074873,17.932371805435263,4.957577217606389,12.323917262969555,0.3446903228578167,-2.7344596842640625,-0.5800271380074873,9.789995996748216,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,16.65365888853638,17.27685816470832,17.833104097331898,18.3341861816047,18.78853181512857,19.20237123184592,19.580491375686623,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_125,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0702495099340898,0.343612976630228,1.022066960047222,2.2705631569163445,3.588224264868692,4.4775429203319685,4.945250790666507,5.163548159704989,5.245356082461003,1.8041164744998888,0.2600610828912037,0.0050875124709841,5.982424992379193,1.4056801497162552,3.796519575913167,0.1093177538994192,2.060096897246969,4.532831743292814,0.2327795271597281,3.1060083025682594,0.3384450697729628,8.640624035256556,-0.9716638146382552,-1.9093923686118563,-0.1511470459640746,-3.1060083025682594,-0.3384450697729628,-4.796806024076544,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.638120270426732,16.351638800029654,16.9846509295935,17.55122844708195,18.061965543046696,18.5249350635034,18.94640002010944,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_126,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671650355132609,0.3572137423638318,1.2167003805189116,2.865470122299384,4.6061059931689465,5.784315774879753,6.405543635192903,6.695893297603122,6.80476926958156,2.249459049756041,0.2632284794581835,0.0046304112315308,7.755249707560678,2.068175308666264,4.971692426831623,0.308018016114003,7.138982107655368,16.486197587003367,0.5644975505935715,4.272375980841536,0.8356897206847246,20.683651257433286,2.704466601094504,7.239368401209366,0.1737611025626689,-4.272375980841536,-0.8356897206847246,7.007875576351695,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.16662026290448,15.938920126528778,16.62881381404372,17.248017137085416,17.806103013557703,18.310883905637528,18.768785983871386,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_127,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683368934585774,0.3465036179569684,1.1417393910739009,2.698140608973096,4.325539657936551,5.410427427147498,5.977230925776022,6.240979004492442,6.339694700368199,2.116333391343391,0.2589125821902652,0.004812187674749,7.150318668614232,2.063440733888277,4.423484020517153,0.2707119600351321,7.13784404746428,16.955860102220235,0.490545660340406,1.2512961233794089,0.5519213183004329,15.740363383478226,5.943373561613213,14.573667888763156,0.490545660340406,-1.2512961233794089,-0.5519213183004329,15.740363383478226,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM1618,15.647698010618116,16.395017112441895,17.052612192541638,17.637191397731304,18.16104865502819,18.633407110630618,19.06135052055648,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_128,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0667277652509141,0.339576609611682,1.1278755493039003,2.684964407828107,4.300847238759289,5.370140843788734,5.9266759512638005,6.185206237341565,6.281901425345215,2.1036320817139247,0.2538015744590028,0.0045978253833963,7.217205043114043,2.06729950251453,4.306855974214741,0.2179740352078487,7.338627545344696,17.313537457382107,0.5775189947929636,2.734487760935024,0.5801204521381826,17.937077849791603,4.960428111659814,12.330753402139292,0.3449101794823744,-2.734487760935024,-0.5801204521381826,9.79576931392098,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,16.647894841650594,17.271865595911457,17.828753622939043,18.33037284083296,18.78517035155465,19.199392126540403,19.577837657279503,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_129,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0702010387207236,0.343510293594108,1.0219350548003068,2.2704213362958585,3.5880894557650125,4.477418799389483,4.945133835288858,5.163434879487091,5.245244231524867,1.8039756544999,0.2599675659527707,0.0050805270051381,5.982214199224836,1.4055057180860957,3.796419019206702,0.1092727005502853,2.059710759077355,4.531999041387288,0.2327119184890353,3.1050498523134764,0.3383945413724986,8.63862941087858,-0.9712357528424734,-1.908458618609415,-0.1510762930214192,-3.1050498523134764,-0.3383945413724986,-4.79395799198733,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM1618,15.646653471105848,16.359191882336667,16.991361090923405,17.55721351639964,18.06732563085546,18.52975484180641,18.950751031168664,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_130,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.078427958192016,0.3461201008937062,1.060009492569698,2.60567377390211,4.385394041833109,5.639889616996165,6.312892271698456,6.629743306372637,6.748906664821397,2.006732884644736,0.2668799045539457,0.0063766600354897,7.936461017922107,1.6731703620616345,5.373743391323877,0.1596253971338802,5.6284088549442455,11.973202362565264,0.7256817709888489,11.433863022855038,1.1439886198460971,28.14204427472123,-5.6284088549442455,-11.973202362565264,-0.7256817709888489,-11.433863022855038,-1.1439886198460971,-22.655679694498204,-2.0,-3.9887,0.0,-2.0,-0.8900000000000001,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1618,16.342370128300722,16.995166073002064,17.560516185727558,18.056852066653644,18.498126254211165,18.894777526335627,19.25457866080804,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_131,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0784283361627392,0.3461738616178182,1.060252559519668,2.605286918710727,4.38355574088391,5.636879024389408,6.309236026348787,6.6257817387454345,6.744830207586486,2.0067047645579272,0.2669059778517142,0.0063766599634811,7.929267961831264,1.67108116276861,5.3696923876365945,0.1592121956960189,5.62159902838482,11.95821698511027,0.724319805676964,11.416157473800531,1.1435119319869371,28.107995141924103,-5.62159902838482,-11.95821698511027,-0.724319805676964,-11.416157473800531,-1.1435119319869371,-22.59439125546338,-2.0,-3.9887,0.0,-2.0,-0.8900000000000001,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1618,16.29564860632241,16.955611145780736,17.526715678429245,18.02773733937132,18.47287366815892,18.87274142552847,19.235245137507253,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_132,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0784281358904731,0.3461345683639831,1.060085811511349,2.605823491532502,4.385593054530793,5.640113847948325,6.313128055350756,6.629984156408065,6.749149365075206,2.0068596245503296,0.2668875988385676,0.0063766597727979,7.937332611428878,1.6733802420036008,5.374253551039482,0.159628782181953,5.62838036576291,11.9731396706403,0.7256760731525816,11.433788950983558,1.1439866256034037,28.141901828814547,-5.62838036576291,-11.9731396706403,-0.7256760731525816,-11.433788950983558,-1.1439866256034037,-22.65542329186617,-2.0,-3.9887,0.0,-2.0,-0.8900000000000001,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1618,16.342546860794467,16.995314912483213,17.560639616785945,18.056952166288514,18.49820494060836,18.894836679200857,19.254620157620423,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM1618_133,RSM1618.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0784952540552869,0.3462959077485839,1.0603625376727337,2.605367552236096,4.383616660476344,5.636930606524287,6.309283668432439,6.625827743547355,6.744875630116794,2.006794781804364,0.267022630125249,0.006387474246341,7.929364659904376,1.6711765579692257,5.36973125993704,0.1592441440908636,5.621597536530875,11.95821370220809,0.7243195073061752,11.416153594980278,1.1435118275571607,28.107987682654382,-5.621597536530875,-11.95821370220809,-0.7243195073061752,-11.416153594980278,-1.1435118275571607,-22.594377828777887,-2.0,-3.9887,0.0,-2.0,-0.8900000000000001,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1618,16.295644886532433,16.955604566702526,17.526705069212134,18.027721867273023,18.47285285483252,18.87271511926265,19.235213457760835,O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Cd].cat0,"linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM0254_0,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,64.0,157.25,6.0,3.0,1.2,196.0,0.0004361529818183,0.0848040195803792,0.9072274730434738,2.9061733487625694,5.159904688848632,6.729961279339796,7.568527689288735,7.962656889587862,8.110787091156427,2.136263295946118,0.0377409281234136,3.488513158059945e-08,8.339348994655404,2.4341314969891807,4.95827764643374,0.2048551824945087,56.06113970719532,141.37253397504497,4.0,12.938860292804684,2.212792830298085,129.69430146402345,-56.06113970719532,-141.37253397504497,-4.0,12.938860292804684,2.212792830298085,-129.69430146402345,-56.0,-141.2506,-4.0,13.0,2.24,-120.0,-58.0,-145.2393,-4.0,11.0,1.35,-130.0,RSM0254,17.16874869461281,17.367772431986193,17.522843217091474,17.6458919222962,17.74509721010326,17.826204224762517,17.8933376473672,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_1,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,64.0,157.25,6.0,3.0,1.2,196.0,0.000474078145888,0.0857296081577823,0.9117429780656194,2.926033975721339,5.191071354376912,6.763825613194646,7.602272740241279,7.996003202363383,8.143929440919472,2.150354459780504,0.0384151999771948,4.72075273778716e-08,8.447100372810276,2.474025539723061,4.984098216208229,0.200915854683575,56.07027409910384,141.40108385091904,4.010021921583061,12.889638214563927,2.227519128867036,130.35016401529512,-56.07027409910384,-141.40108385091904,-4.010021921583061,12.849550528231685,2.227519128867036,-130.35016401529512,-56.0,-141.2506,-4.0,13.0,2.24,-120.0,-63.0,-156.24206,-5.0,-2.0,1.0000000000000002,-165.0,RSM0254,18.32795081922137,18.517961971278734,18.66679187622618,18.78538618578088,18.881326469515955,18.95998366855445,19.025240693737057,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_2,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1347836797657949,0.4934781311740558,1.6789763041285453,4.304502497723191,7.186933628886652,9.152076711863696,10.189158476770274,10.673850786621676,10.855585481262962,3.3014925937510218,0.3818393012815108,0.0184692237131899,18.94686062792339,5.430518186244395,11.582835950815335,0.6371331780742657,2.158343656164067,4.72830700384586,0.4110671411286518,5.446880785193283,0.1897120373767875,17.982981598185294,2.158343656164067,4.72830700384586,0.4110671411286518,5.446880785193283,0.1897120373767875,17.982981598185294,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,3.254945122707105,3.899152239969851,4.566239018932811,5.240275598884612,5.908506739481019,6.5615519019176,7.1931017616981805,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_3,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1394304629140968,0.5136601362813482,1.776074267306882,4.55472488371013,7.628092200279573,9.733937202839886,10.847561858382234,11.368448081785765,11.563814575546749,3.491191430052748,0.3948674305590947,0.0197353376503896,21.04554516113218,6.1596903873666005,12.617021514600848,0.6401090782994592,3.9574147344863575,8.592674892153422,0.6791445441174722,9.390571087426135,0.4876535366261686,27.753044415791265,3.9574147344863575,8.592674892153422,0.6791445441174722,9.390571087426135,0.4876535366261686,27.753044415791265,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,3.072306096406236,3.726494967463904,4.40106569511476,5.0804279722633146,5.752328334438412,6.4078327516737135,7.040953492283608,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_4,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1431788775338551,0.5463849887397474,1.8271614020862432,4.431130232798722,7.222768288719676,9.119316418353204,10.120293134609438,10.588281033426414,10.763788275838484,3.449965817917883,0.4169885143343131,0.0205245497925344,19.89490863168196,5.944221078256337,11.78862904135994,0.6372187654185674,3.4634023752294425,7.50047314073837,0.5753936564141299,8.06655162654248,0.4623509512006082,22.96054407284188,3.4634023752294425,7.50047314073837,0.5753936564141299,8.06655162654248,0.4623509512006082,22.96054407284188,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,2.852721108139044,3.5059431093771187,4.188231587420474,4.880644331448912,5.568356642161208,6.240599700534558,6.890154110427724,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_5,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398831733196848,0.5934304435510784,2.0096477491961515,4.764010571679337,7.592856996605554,9.466737800622008,10.444093552867637,10.898669243191254,11.068783812567224,3.742382792313401,0.4463037867616213,0.0182174504344051,21.157133363547672,6.862250535097992,12.37954227224942,1.0967664004788502,3.955603095592088,8.618989993103499,0.7081725292765533,9.620983329804517,0.4324198851449414,29.794061571398288,3.955603095592088,8.618989993103499,0.7081725292765533,9.620983329804517,0.4324198851449414,29.794061571398288,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,3.452930933875046,4.041522103006919,4.648926870958796,5.2646865167452335,5.879395322485321,6.485400473514411,7.077013217426499,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_6,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1308940347922716,0.564453396782938,1.7248867441529496,3.933378489296099,6.358947281500634,8.04690613514401,8.949201842070698,9.373523516300311,9.53304327160749,3.0982864350586548,0.4281028209537263,0.0158485132220401,15.906887644542335,4.480383983222515,9.448812710109534,0.4516310906330592,2.237782573426641,4.858529220456566,0.383708737202494,5.307452471046594,0.2763593629201792,15.67069873704137,2.237782573426641,4.858529220456566,0.383708737202494,5.307452471046594,0.2763593629201792,15.67069873704137,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,3.0436342078180822,3.5542212513101825,4.095833496733758,4.659636412966909,5.236465331229877,5.817984756716149,6.397280987972923,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_7,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1448862894674632,0.6379690450443823,2.036715358107477,4.386750284317253,6.7191244464558055,8.268986424181128,9.081813992472112,9.46105505965378,9.603177483160822,3.535424005889782,0.4750223041326119,0.0195564638206102,16.057593176825545,5.954545526700486,9.032024303876517,1.0662212926114698,3.45736477010913,7.47346008378168,0.5548476900940967,7.871490162305605,0.4938767430760498,21.58425006705417,3.45736477010913,7.47346008378168,0.5548476900940967,7.871490162305605,0.4933885029066182,21.58425006705417,63.0,156.24206,5.0,15.0,1.2399999999999998,165.0,0.0,0.0,0.0,0.0,-1.0000000000000002,0.0,RSM0254,2.937890442908454,3.37913449526252,3.8585370867460647,4.368521921253969,4.900015161034855,5.443988040476016,5.992400046669758,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_8,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.131595388782634,0.5469749209660693,1.637535154291102,3.745927669028488,6.0762381445695794,7.699456746214157,8.567046936292204,8.974981524849841,9.128327438130048,2.945884172779545,0.418529296543632,0.01630243452142,13.761168578796708,3.789133541788298,8.276102291148973,0.4321802873745935,2.9268639026664607,6.54785161748608,0.4598540244663813,5.666686013122364,0.2760408328323169,18.764089041747745,2.9268639026664607,6.54785161748608,0.4598540244663813,5.666686013122364,0.2574465737179575,18.764089041747745,63.0,156.24206,5.0,15.0,1.2399999999999998,165.0,0.0,0.0,0.0,0.0,-1.0000000000000002,0.0,RSM0254,3.7915891443656538,4.349563760245692,4.927934897153782,5.5174157771949455,6.109226541125292,6.695983774436086,7.272035397675053,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_9,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418482403211181,0.6203906413319099,2.066550418873863,4.847815665689645,7.824388622740389,9.859017246673076,10.936889109427923,11.441712019350357,11.631172539734314,3.804560120189382,0.4635004883678474,0.0185370489711564,21.556249969538275,6.862723232146436,12.933378038069282,1.159703098493366,2.1359374928932744,4.677687000121069,0.4053113560192117,5.378428341046967,0.1905333918014849,17.69210745687845,2.1359374928932744,4.677687000121069,0.4053113560192117,5.378428341046967,0.1905333918014849,17.69210745687845,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,3.4458900029702297,4.040319765846626,4.649605178825396,5.264780483108574,5.877526862765004,6.480912453942336,7.0696861976105065,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_10,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1300127964036812,0.7234502574008495,2.5025683507429584,5.491243236370222,8.397138994066685,10.291961541786351,11.275447521702043,11.732097571707872,11.90288166407182,4.413906114254186,0.519126387969278,0.0139289466499444,24.55972468188589,9.853792121736928,13.83218948299069,2.447512501014644,3.40805396494627,7.442836815484173,0.6265549223514617,8.420493343757965,0.341793534992099,26.81857473987097,3.40805396494627,7.442836815484173,0.6265549223514617,8.420493343757965,0.341793534992099,26.81857473987097,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,2.504171632288719,2.981559669094842,3.498591842316587,4.0473236924616565,4.6188755912137,5.204702662866794,5.797302366948582,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
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RSM0254_12,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1441127155785018,0.5303833371059716,1.8479386019207704,4.671219460810871,7.754703600828921,9.860988924870377,10.974167196626054,11.494785334444346,11.690047288657333,3.597616015125275,0.4061641478707686,0.0210551376948296,21.713316446226045,6.559134870888168,12.921883550809614,0.7339245313121208,4.011151754422213,8.705298139047946,0.6844333591488012,9.48661862761262,0.5016499823138821,27.854576368305025,4.011151754422213,8.705298139047946,0.6844333591488012,9.48661862761262,0.5016499823138821,27.854576368305025,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,3.215920580868992,3.8867511881456736,4.573017836642763,5.259721997069742,5.935258515585552,6.591294944377587,7.222362026341219,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_13,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1457279817885997,0.5622320765639675,1.9065484916664044,4.5731877905896905,7.378330912951618,9.267272118387398,10.260581693596942,10.724281608011877,10.89807558256886,3.5763243336856494,0.4265158739556523,0.0212686876771073,21.334952964390133,6.53701509928458,12.457245536603084,0.6699200163286446,3.4329440168601595,7.438542359474757,0.5742431784848817,8.026889444739213,0.4509541278436175,23.032302409640923,3.4329440168601595,7.438542359474757,0.5742431784848817,8.026889444739213,0.4509541278436175,23.032302409640923,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,2.998778159891484,3.64906731209357,4.324530649593955,5.007730115337986,5.6849809340392685,6.346298094838053,6.984954093431518,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_14,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1468017033523258,0.6039220554488455,2.031063788700129,4.801667588782776,7.645537678430509,9.52895227413131,10.511061408057428,10.96778398078783,11.138690611392226,3.7744183571672094,0.4559716257856578,0.0201169360520729,21.79521336202599,7.068771159492196,12.789663203703082,1.042236485411162,4.052567909797403,8.835418560286005,0.7305261339672302,9.896776981535249,0.4336562186712868,30.87398982871912,4.052567909797403,8.835418560286005,0.7305261339672302,9.896776981535249,0.4336562186712868,30.87398982871912,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,3.7029160083834873,4.241775595143976,4.80888679471873,5.39262809804048,5.982054076401324,6.567952798640162,7.143228686621322,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_15,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1462941853188195,0.6129659959998731,1.9531780260804563,4.438801747202681,7.003743238686714,8.724992951756475,9.630219959763728,10.052975665981496,10.211461294082424,3.519317243530127,0.4633837003476315,0.0197750911436228,18.90466739928084,6.130580162249503,10.647028693179386,0.6814456180370007,2.8649638422716124,6.208487171094581,0.4798658909808745,6.70389097011861,0.3751603642217276,19.26579315730316,2.8649638422716124,6.208487171094581,0.4798658909808745,6.70389097011861,0.3751603642217276,19.26579315730316,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,3.4557253716171363,3.980909140167021,4.535291124413151,5.108291143438783,5.689603035087585,6.270280001975758,6.843211517865886,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_16,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1520976520270647,0.6539185196247103,2.114892739323928,4.610115075973296,7.087392140024951,8.731330588059855,9.59287375070605,9.99471563690134,10.145288174048703,3.7052102900605752,0.4879027545907823,0.0213840564274949,17.329481424163436,6.605415135562341,9.566936229869784,1.0975945879177218,3.760200420486872,8.119648423333047,0.6018299674445974,8.574840160043651,0.5448579981580377,23.32709561868746,3.760200420486872,8.119648423333047,0.6018299674445974,8.574840160043651,0.5448579981580377,23.32709561868746,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,3.363621202717694,3.81038963752233,4.295281854197764,4.809476986407188,5.342987394464049,5.886219663782914,6.430870411537273,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_17,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405100603758487,0.5794928155490631,1.802532678800303,4.177583562856395,6.722518151568458,8.456393952337097,9.373066854971553,9.801985401108157,9.962895502270564,3.2845293751809663,0.4418223971341864,0.0183449024375173,16.077367920352845,4.938092188444327,9.38650298094278,0.6351995322027796,2.950388605368188,6.414356950932266,0.514300962954986,7.064796309008075,0.3486086238482443,21.249124380008087,2.950388605368188,6.414356950932266,0.514300962954986,7.064796309008075,0.3486086238482443,21.249124380008087,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,4.143528709256192,4.680781993831147,5.239558926127229,5.810439768945537,6.384318824897685,6.9534295554015255,7.511766215850156,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_18,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1429387573472546,0.6171998478084355,2.063762276320345,4.868498929692815,7.855046593562043,9.888142128469678,10.963216678150223,11.466344058153735,11.655110798467517,3.8174787943807056,0.4621256780624312,0.0189375423069684,21.84064275105584,6.908226023569084,13.094838595066973,1.116306450498474,2.466392789581417,5.3930667533094825,0.4599531463397862,6.146017960299707,0.2351326419766315,19.864756295877942,2.466392789581417,5.3930667533094825,0.4599531463397862,6.146017960299707,0.2351326419766315,19.864756295877942,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,3.6224102600888815,4.214914777640641,4.820034749268141,5.429652175868072,6.035998468241058,6.632493142788869,7.214107463530389,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_19,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1344115957801571,0.727165306851071,2.557389372696879,5.624179940169647,8.586951833667905,10.514809416883407,11.514960974574237,11.979302265488665,12.152959137569004,4.521884212020551,0.5210004528337732,0.0154348137524784,25.835910900601544,10.429666739130187,14.375514217774338,2.410722053455576,3.215346036634688,7.033991081830647,0.6027737011942248,8.037535646188486,0.3006282965632643,26.117428900422293,3.215346036634688,7.033991081830647,0.6027737011942248,8.037535646188486,0.3006282965632643,26.117428900422293,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0254,2.59523502367432,3.057054070175298,3.556420364707477,4.086475275040412,4.638952213378831,5.20559330754722,5.778998755373283,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_20,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1037658683953946,0.8073185717843537,2.7734237590052424,5.780367250651565,8.581569815217458,10.3939209058757,11.334844368688596,11.772115447842852,11.935732494057923,4.721033049880476,0.5661606213882847,0.0037404655278865,24.9552600020645,11.63332926215266,13.686021676454184,2.698143447857403,1.3752991215780792,3.011848976603972,0.2609297421797352,3.4627370590159607,0.1227648425152415,12.0950904514851,-1.2339983002192734,-2.730045683527037,-0.2609297421797352,-3.321436237657155,-0.0598859770105729,-12.0950904514851,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,7.221062561548561,8.026568412743643,8.813318761491269,9.579733121749598,10.323850211982736,11.043438781129986,11.736299880222193,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_21,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2159723378266119,0.9134048388053148,2.4287726044430906,5.201632463180996,8.111708173597625,10.064106054148148,11.08763127290782,11.564647612125311,11.74330156222957,4.1664091614119085,0.7139076098611542,0.0220068936497532,22.756552357542343,9.207980455099628,13.159946069189786,2.092797123992633,2.171731250229396,4.75920326987364,0.4151376329799361,5.492832314068884,0.188037344514701,19.161408910745703,-1.9796450795699645,-4.376116215419002,-0.4151376329799361,-5.3007461434094525,-0.1025589985712539,-19.161408910745703,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,9.080207136526749,9.853658258965968,10.59828959427572,11.313368741138524,11.99774261772523,12.650381873575522,13.270631523225552,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_22,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1077650430707916,0.7818243204770606,2.532162467797691,5.281149061238405,7.975582366738406,9.764350694004834,10.702606993742162,11.140417333749102,11.30449677310966,4.2935321379741,0.5576625052604733,0.0042217962083512,21.71338746758181,9.287073616272192,12.491105637094476,2.2917617651992304,1.3856200026071208,3.0245744633223435,0.2533081261314946,3.412085011659078,0.1416481646636163,11.994262535665497,-1.147461258707825,-2.549602572426783,-0.2533081261314946,-3.173926267759782,-0.0356675236284296,-11.994262535665497,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,7.748441174225262,8.516278777406871,9.263901685680535,9.991394615211062,10.697928578113212,11.382028919065178,12.041966609389704,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_23,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2146817909942828,0.9120097281947152,2.490952879900668,5.345722179525937,8.317111409907053,10.315089957579474,11.36571014587162,11.856225573109326,12.040084160300044,4.2856784099515135,0.7092933136860371,0.0228267210414392,23.70251338340587,9.7117793274253,13.48304765331461,2.206157830532839,2.1198388265854007,4.6535953460215325,0.4130850158785457,5.424518953613767,0.1687938730582299,18.86089445049792,-2.0110113322000567,-4.436555232594122,-0.4130850158785457,-5.315691459228423,-0.1203656380567517,-18.86089445049792,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,9.028851568022803,9.834539417462947,10.61002495593462,11.353500912589832,12.063179167393413,12.737734945649931,13.37646608105446,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_24,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1050977468507978,0.8018412259741196,2.7197583493217845,5.786874902171514,8.76523210471367,10.726259003131672,11.75078392268716,12.228023803319797,12.40675476795592,4.686882778689585,0.5657805458517947,0.0037853753005486,26.050303681976043,11.39285529011592,14.678476365237756,2.600125908929574,1.6386983693592316,3.604734215327928,0.3264722188886078,4.250476120468094,0.1170853639487184,14.722936224568311,-1.6260238195268455,-3.579456726869709,-0.3264722188886078,-4.237801570635709,-0.1114451892733067,-14.722936224568311,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,7.386107823163135,8.164198741649628,8.926676864863856,9.672449709162269,10.399431102862131,11.104996476541348,11.786473617854917,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_25,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2209078443421786,0.9947688140483864,2.697756756524545,5.58994002132806,8.520872708069252,10.45827459419354,11.467276246333764,11.936175003939695,12.11158171578888,4.527669545991774,0.7650353399210553,0.0234808043500177,24.94356957709568,11.01934541900258,13.944981581210156,2.365544075979164,2.5014926504531,5.50466465493987,0.50029853009062,6.503880891178061,0.1751044855317168,22.5134338540779,-2.5014926504531,-5.50466465493987,-0.50029853009062,-6.503880891178061,-0.1751044855317168,-22.5134338540779,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,9.101834575353822,9.90402426878538,10.678637263926534,11.422394261146506,12.132570666775642,12.807289040702752,13.445558509930793,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_26,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3054977762992136,1.1856892526355158,2.720594532804112,5.035202273738786,7.381706363191203,8.96851267478615,9.80739691001762,10.200129276200345,10.347509925091256,4.193637113688089,0.9438801468663108,0.0352630138762944,18.0471485743571,9.611051748138918,9.469988868411749,2.200237339811846,2.5461052206728385,5.601090033124711,0.5075266838108599,6.606318691159718,0.1814042910540506,22.881059779581392,-2.5291616174357605,-5.567298558008844,-0.5075266838108599,-6.58937508792264,-0.1738643876135509,-22.881059779581392,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,8.858381972416334,9.740502593714888,10.591498764737237,11.403758365444023,12.172540748021776,12.89544925572243,13.571885899986563,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_27,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1507990290927078,0.8104026098960286,2.1215898141789733,4.179298246329269,6.361108648309033,7.875258338940714,8.68503815053983,9.06601288214776,9.209265393121006,3.419030985225823,0.6141241440619534,0.0090320965945179,13.149717936460418,6.073167597638296,7.399316999404883,1.5518103901106073,4.570315562262505,10.511606110021912,0.4144548021315181,4.875701728500778,0.6104360487570122,21.61455913617748,1.9499458957897893,4.745346399726045,-0.1096191311630248,-2.775557499491636,0.324128133152056,-12.469489007122672,58.0,145.2393,4.0,2.0,0.8900000000000001,120.0,-5.0,-11.00276,-1.0,-13.0,-1.35,-45.0,RSM0254,6.591114593802158,7.315315676883616,8.042514197106803,8.768848301214247,9.489254625677765,10.198284304617111,10.890769147961764,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_28,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3119741039610306,1.1966945324424616,2.6935803647245784,4.794527577747204,6.862730604416826,8.259956797989712,9.000920748198466,9.348525203382623,9.479096509086943,4.043856003175745,0.954044220928698,0.0370668319731289,14.830747775420644,8.84815262002942,7.490882157183428,2.1721548834208213,2.547892825911661,5.600824515254625,0.503811270402521,6.578382989131831,0.189166175525962,22.81568953760873,-2.49021987811355,-5.48580447181346,-0.503811270402521,-6.520710041333718,-0.1635017137558023,-22.81568953760873,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,8.980455392655273,9.827270184472864,10.652011941419373,11.445599636229792,12.201685517461884,12.916415882295748,13.587986038930786,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_29,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1561997705912869,0.8403457128684906,2.1789932842578774,4.225415453401571,6.33110219454145,7.764353048354141,8.523755485806982,8.879566023477631,9.013131417967829,3.47698491022593,0.6370819636990647,0.0094455113243186,12.884074279030616,6.363619254766035,7.004310571383878,1.6094571737715118,2.014543324445154,4.150671643220121,0.1289678704502661,3.0462862880472823,0.6546570222838445,12.652074031231088,0.7248646199424925,1.3126665906693815,-0.1289678704502661,-0.3068783436596361,0.5643795129686583,-12.652074031231088,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,6.828001517877857,7.557225542867791,8.285423007066353,9.009719147475852,9.726025158561132,10.429775672477774,11.116537712073756,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_30,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3018105637471417,1.19411110886856,2.830416998385159,5.418832711556257,8.083542097987197,9.893332053857506,10.851552131431996,11.300424563684246,11.468913427869458,4.46990644308023,0.9465034460694708,0.0338004324658731,21.221559682439192,10.731500892697168,11.518808036686735,2.4123506818937943,2.47528338341121,5.437342143913478,0.4856991961351785,6.360876952492638,0.1908151128645286,22.09040083975962,-2.381708577940575,-5.250721230623117,-0.4856991961351785,-6.267302147022003,-0.1491743244300959,-22.09040083975962,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,8.246553072341529,9.140569246785931,10.00700691007292,10.838066053509452,11.628443489534073,12.375054957802302,13.07662411088793,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_31,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1586180738085162,0.8267718231773846,2.163213235656421,4.388691578085477,6.839709470845686,8.561803205138244,9.486215644987992,9.921658267563837,10.085463318205107,3.551595783581297,0.6292717329169696,0.0100643537448796,15.338672465054575,6.69451086800227,8.696119527940269,1.5633620839374112,2.303699668395187,4.819331732834369,0.2181824610531693,4.0491593568205415,0.6160542379611658,15.88214756303932,0.1218750578634941,0.0181132224796312,-0.2181824610531693,-1.62358463056186,0.4633265152239474,-15.88214756303932,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,6.610279346380048,7.343675547765891,8.076970574133671,8.806046212569672,9.526497855255505,10.23385632039884,10.923909981352612,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_32,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016513459046768,0.7996857605169057,2.768858635938093,5.809994321971371,8.646531181963322,10.475923055073547,11.42333801804039,11.8630578998268,12.02749832087665,4.7366111191167,0.55967617069116,0.0036454644303006,25.8145876345477,11.73142303459417,14.184169363287236,2.6548266531995264,1.3065875144778178,2.8688683710343703,0.2551629582016995,3.3478911800914144,0.1030008973144422,11.63619673642308,-1.2450420675391771,-2.746125208932293,-0.2551629582016995,-3.2863457331527743,-0.0756131734267472,-11.63619673642308,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,7.45997985205097,8.282513249421857,9.083574237634906,9.86188278281614,10.615551502119336,11.342394751898755,12.040308112379966,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_33,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1900363290324964,0.8685031302400311,2.362386642721663,5.080133513227596,7.947792253764367,9.881647637120771,10.898170911703817,11.372499292846502,11.55023600826052,4.064517532608456,0.6715052854506809,0.0163358558370627,22.3546665806684,8.790528028346454,13.124432414791844,1.9833652546578973,2.2908281101644388,5.041086379478575,0.4581656220328877,5.95615308642754,0.1603579677115105,20.617452991479947,-2.2908281101644388,-5.041086379478575,-0.4581656220328877,-5.95615308642754,-0.1603579677115105,-20.617452991479947,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,9.082632675346922,9.872940762860182,10.633818322403496,11.364371879648372,12.06322095311254,12.729139380039651,13.36134973130894,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_34,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1020722661953695,0.7677827526708986,2.526773186295044,5.282198760051996,7.964589081353277,9.739503965213077,10.66936654122671,11.103064311535237,11.265574813732616,4.294854957904176,0.5444307126087216,0.0037699219178337,21.835216681268623,9.29001869793517,12.539326273975687,2.274346287631703,1.4707013542575589,3.21272211229549,0.2712183843337392,3.640448428927473,0.1459276320188524,12.777874457962575,-1.2414824890798335,-2.7555794685282944,-0.2712183843337392,-3.411229563749748,-0.0439252370147648,-12.777874457962575,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,7.70587920575074,8.49456835806732,9.264318256656155,10.01411970838404,10.742157280797883,11.4461872853946,12.12396255869572,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_35,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190767944995002,0.9212611198580336,2.5319694436235194,5.441423634741018,8.438972637949343,10.438468393971466,11.485410358837692,11.973242093921147,12.155942884183991,4.364294621156143,0.7166073576173992,0.0241104536724372,24.50758090845793,10.070322895532987,13.861168829978135,2.2755680758169743,2.1225931238195166,4.659836182373254,0.4138103276241744,5.433075744812912,0.1686595758043577,18.88917217158108,-2.015510152422227,-4.44627525836707,-0.4138103276241744,-5.325992773415622,-0.121007653532564,-18.88917217158108,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,8.893134965062872,9.704997868662591,10.486638081500766,11.236333754083104,11.952292535387604,12.633121861894017,13.2780231900627,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_36,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1061623800643616,0.8125229001835652,2.772436518377145,5.911941163214172,8.952389633310876,10.949611480721906,11.99171057819673,12.476844068812811,12.658484900043534,4.786751895850475,0.5726100846831139,0.0038463412591007,27.352165573403614,11.947816344039223,15.353802015914718,2.69273041538788,1.6802028848100572,3.6970546785568232,0.3357310358152549,4.366051171332097,0.1181945915868723,15.115635140355383,-1.677107473342492,-3.6908813446964848,-0.3357310358152549,-4.362955759864531,-0.1168171334838058,-15.115635140355383,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,7.435058567797002,8.21723173947021,8.981957338258537,9.72881754396646,10.456213760716157,11.161850576373364,11.843263762236916,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_37,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.22506059997845,1.0051227321578915,2.77477825112981,5.777036997118091,8.765508467087264,10.718956852706148,11.731038492480238,12.200306296195247,12.375689083221248,4.680992119359947,0.7720114774402701,0.0244250592647475,26.52485940432058,11.783075011322616,14.592127089492294,2.479800585652135,2.5354018243519927,5.577758416751921,0.5056010982973238,6.580210610730584,0.1802517525291543,22.78903108770644,-2.520609158621246,-5.548256663851805,-0.5056010982973238,-6.565417944999836,-0.173669016278972,-22.78903108770644,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,9.104247612655014,9.898176049766006,10.664745204113736,11.401637941826776,12.106583231308688,12.77782876824904,13.414311667851456,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_38,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3227815723675706,1.2014151668852042,2.755777482205658,5.166720451856499,7.608947761692986,9.24716094255712,10.108576260913146,10.51078179196259,10.661544071993152,4.2874904303023325,0.9610380765262576,0.0408673761549353,19.394551357082765,10.025389850767876,10.160766392921492,2.2359870303811005,2.5622300124768054,5.633379635690778,0.5076538639854729,6.623460924360587,0.1883413605794166,22.96422734209348,-2.5143086273779227,-5.537807621318822,-0.5076538639854729,-6.575539539261705,-0.1670163442104139,-22.96422734209348,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,9.068158830183672,9.969391205973546,10.842463021601928,11.676693962511427,12.46532512225097,13.20481739169166,13.894077954270587,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_39,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.154531494322961,0.8162909640964633,2.119531795943021,4.120431295004319,6.207822874436263,7.649182440330926,8.419225277870598,8.781443048943945,8.917640336705032,3.3866234636480352,0.6199428123608337,0.0096867773360475,12.625371842582762,5.983799147628635,6.9956010830986965,1.5201317527615343,2.0137381671842487,4.17646740674958,0.1536904874455882,3.237324517753576,0.6066691263737075,13.123710872822318,0.4798396466500774,0.8010439495910687,-0.153089216661246,-0.7524651302922105,0.4990933010466002,-13.105672749292054,58.0,145.2393,4.0,2.0,0.8900000000000001,120.0,-5.0,-11.00276,-1.0,-13.0,-1.35,-45.0,RSM0254,7.005878279007958,7.731346229504635,8.456274526731908,9.1766728699257,9.888072258379616,10.585928217879676,11.266008237291205,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_40,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3251773013883758,1.2148508684046155,2.743325194041619,4.962574477326254,7.183746103792067,8.690329990127687,9.489705925290313,9.864694447480092,10.005542198051993,4.162923396702965,0.9713419765017824,0.0408735647342101,16.037719062821807,9.337111857139114,8.058235402864543,2.240182961035761,2.549805497073084,5.6025854155749855,0.501819402806259,6.564360719523156,0.1937520659357863,22.7854155414906,-2.468388530989506,-5.440211489266203,-0.501819402806259,-6.482943753439579,-0.1575215160285946,-22.7854155414906,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,8.826178854683661,9.68302276343867,10.519898451394916,11.32592201778498,12.093685466477638,12.81876634391221,13.499107299258135,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_41,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1572779186844329,0.8400145393616253,2.170600377640153,4.283987903388636,6.528500472864426,8.074240167638793,8.896430904221813,9.282194780824726,9.427078473749845,3.5000295307345874,0.6379721727724584,0.0095889133803797,13.752559005787186,6.501572325036864,7.543737897726777,1.5972165051621183,2.0625294185356444,4.25663454352619,0.1389210557313986,3.173897864386833,0.6573486117519892,13.091068207306192,0.6733188612216578,1.199604473207784,-0.1389210557313986,-0.4380495846295312,0.5601038727400103,-13.091068207306192,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,6.9532671474292345,7.66446665795187,8.37628751365659,9.08605635888669,9.789702663367748,10.482567881374248,11.160065917672998,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_42,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3089813833055969,1.2032342856724414,2.8579607206738915,5.503639162437738,8.215860016493343,10.04830945389288,11.015700482146569,11.468251913742344,11.63802444910649,4.53393106934508,0.9555513304294264,0.0357034699540849,22.20081556636844,11.101410934590774,11.98383456725174,2.4726329762118646,2.4833192803530464,5.453385378198616,0.4857155327557608,6.369043542399134,0.194360455840054,22.13090705688045,-2.3738360472045623,-5.235037492168936,-0.4857155327557608,-6.259560309250649,-0.1456404170889782,-22.13090705688045,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,8.33333598287534,9.24104396001876,10.11845280604905,10.9578453087317,11.75416814267701,12.504656897453437,13.20836789831458,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_43,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1534747917120354,0.8173161041637149,2.149375060360053,4.329727837935621,6.694634184055753,8.344931074510551,9.22845076680398,9.644193253977026,9.800523291152976,3.51477528241581,0.6201846006752103,0.0093752205894517,15.06934595552947,6.578354871302156,8.535047724661778,1.564997920086487,2.4330032066398672,5.114578930916131,0.2544291381789814,4.468436312071717,0.6056317928691506,17.253598796778963,-0.1112881751499472,-0.484266557864209,-0.2544291381789814,-2.1467212805817986,0.4275313961438637,-17.253598796778963,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0254,6.732877907934723,7.465774337813642,8.20468547979098,8.943643584185246,9.67646810838192,10.39719981572643,11.100497729568747,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_44,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0629283464891685,0.3516989443050755,1.3579233155694015,3.461639380251903,5.703797616557837,7.217533005566647,8.014166481129116,8.386172803873036,8.525618511559276,2.669078485170453,0.2550814442257457,0.0040739115039652,10.915648178639906,3.359293241188155,6.594528382583508,0.520287941181823,14.020251211621254,34.807391039477665,1.0214493322807248,5.115476140757105,0.8675370579732465,35.94851659988638,11.480460917182931,29.513874828752133,0.8000301054910032,-5.115476140757105,-0.8675370579732465,28.19884366224613,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0254,13.610490880394329,14.29564888850231,14.911212116011496,15.46782698895566,15.973484708756269,16.43437365560749,16.855449787392374,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_45,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0656578356842854,0.3663012303663212,1.4701023347914697,3.842052523851229,6.397618842312916,8.129092947242976,9.041355912844562,9.467528553372818,9.62730180335777,2.943736347692626,0.264262737988683,0.0044291575759684,14.230435193131456,4.176057441361663,8.865034707031064,0.6837801368806982,9.661222827569324,22.842426112008063,0.880172496033781,8.840605644045725,1.0576525046819352,32.582119834258926,2.0793595857761527,6.771222285036512,-0.0415594665091042,-8.840605644045725,-1.0576525046819352,0.3215011452579402,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0254,13.833973949153483,14.557664349370642,15.207605803701812,15.79459608513,16.326919967944683,16.811136666726043,17.252596042870938,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_46,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0562484633696892,0.3456741944258574,1.362216148214168,3.397649944551133,5.549541688734274,7.007727186453804,7.777679335813849,8.137854021135917,8.272967867839807,2.635990833247512,0.2460442739606675,0.0032503659568899,10.406173498217298,3.3188384221898395,6.111322027064317,0.4864111914468896,16.406157827261968,40.92881700823466,1.191618868671896,5.361829711095973,0.9016135715062392,40.87623100522751,14.322578910612837,36.57926337510209,1.0032908983191613,-5.361829711095973,-0.9016135715062392,34.284752042881784,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0254,14.104275748569652,15.018563131984727,15.830516911614692,16.554021403256673,17.20057438231885,17.7798037436657,18.29987148296746,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_47,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0730921116819676,0.3849727788178014,1.4482981749664925,3.730564410249765,6.199063180936853,7.86551550517696,8.740491292114791,9.148469371527549,9.301291683620525,2.8634277009526694,0.2816608622056372,0.0054474048756343,13.44965989770029,4.024532140803292,8.259777113984725,0.6076057738425057,10.145261291291554,24.589404412717844,0.813773415898263,6.287568779893824,0.8903572404861303,29.990546779290103,5.337439267660304,14.463108865358675,0.2921337668840126,-6.287568779893824,-0.8903572404861303,11.73315906379134,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0254,14.569702946560689,15.358449142831155,16.05562741146331,16.676865810145976,17.23420585965741,17.737038610275007,18.1927901949695,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_48,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0676565541109491,0.3524673218614416,1.3832439079901608,3.784160183606735,6.442230841757314,8.243987464712646,9.190401242630426,9.631659135753146,9.796936170312328,2.8597538727108214,0.2592836087881719,0.0047278511556692,14.384111111364287,4.107939394713311,8.797013411098423,0.5213276580418003,9.491334963905732,22.81496428616262,0.7838935284414676,6.690076715916955,0.917588622464946,29.31186186848761,4.056792039538242,11.357911930134929,0.1838298289473875,-6.690076715916955,-0.917588622464946,8.309632386194815,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0254,14.670585381640343,15.46716109170364,16.17244174452991,16.801414287944883,17.365687986874725,17.874371101325362,18.33473091805472,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_49,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0682975628123652,0.3726330841678356,1.4656722444413008,3.780431178819154,6.259546755958351,7.932580211249389,8.811946727002299,9.222259390067515,9.376006513822926,2.905925281160955,0.2698492581680942,0.004793145965725,13.588076312233106,4.125852487670708,8.137301266996076,0.5728169891548356,8.81890306080827,21.26972103288948,0.7163281195590533,5.873649918722389,0.8252989107382532,26.74275910692473,4.13707489970547,11.40955861906305,0.2090988776204994,-5.873649918722389,-0.8252989107382532,8.989735639075343,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0254,14.720281859735625,15.487671170613575,16.17130216152158,16.784065851782124,17.336184178466016,17.83580369397026,18.289494388570606,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_50,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.059039048033161,0.3251187487032453,1.234526397433125,3.292376312719011,5.586485895801259,7.157715888983392,7.988009073650109,8.376227251439728,8.521812208041528,2.500377534987086,0.2385296754078361,0.0036069192379841,10.779383065637674,2.8855579102023388,6.715971431519842,0.3485180564876645,14.999004613840471,36.898343480098056,1.1556669148678371,7.166213559355803,1.0510688098001169,40.83877032234762,10.504330770477726,27.42953910983364,0.6659998982977483,-7.166213559355803,-1.0510688098001169,23.700424742394524,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0254,15.277035945656095,16.03616547921725,16.71399480207197,17.32249873563364,17.870768307124074,18.36604880984681,18.81434163745164,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_51,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0736787969158146,0.3779995966493276,1.440336578937268,3.669269137506016,6.022500347331479,7.600938423367386,8.429249870315132,8.8155949394965,8.960348345719861,2.831775599684536,0.2772909625103081,0.0055811724424418,12.86072946226949,3.837141896997648,7.7511246263120706,0.4991322376002035,10.357070396882268,24.671571084923286,0.929276130840452,8.777426234574808,1.0420996917788703,33.75764556634917,3.1036170619374746,9.280753557411778,0.0322015447895292,-8.777426234574808,-1.0420996917788703,2.360035054566874,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0254,14.908183523919178,15.612978430945857,16.24537842271329,16.81611962062128,17.333752817853032,17.805148238970702,18.235880209595404,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_52,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0568943877179752,0.3384786112827216,1.3382594550888691,3.4364543152905465,5.694190103203438,7.228383042621816,8.038307528104266,8.417038964073495,8.559085206630016,2.643605943523001,0.2428453846368942,0.0033368762719354,11.02415431219245,3.4077908921611555,6.494529627541074,0.4731391824890681,14.44120585590973,36.05297517617687,1.0330155175119322,4.467160335124572,0.7980269711827204,35.72968995778742,12.794460837671991,32.64442235718803,0.9123892463153336,-4.467160335124572,-0.7980269711827204,31.507770465906457,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0254,14.785673660179503,15.62639376735694,16.373728583675682,17.04078964057386,17.638150884460934,18.1745160382384,18.65719071392654,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_53,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0732266804426285,0.378665517081052,1.4303083358498927,3.7348700235510366,6.278214710262684,8.018014378948035,8.937609994365236,9.367693499118252,9.528999421212069,2.8531386963371324,0.2778487106741298,0.0055037538206384,13.791875602233675,4.034230310855111,8.490835439273992,0.5851824395081671,9.977064869929317,24.160675586329305,0.7932685551096308,6.168002055957694,0.8970005683066175,29.57490183994924,5.188050603978029,14.090782623647424,0.2899539787408938,-6.168002055957694,-0.8970005683066175,11.958891667043453,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0254,14.769516253696905,15.519077574675132,16.184226868953868,16.779127576931256,17.31468481763041,17.79940243790539,18.24000920057116,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_54,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0646831820906066,0.3444284553817494,1.3363272328825142,3.60893876528109,6.146874707083162,7.886768059698094,8.806830446480145,9.23718582346745,9.398600292969771,2.7334494587208167,0.2527573861683555,0.0043252963501919,13.174111391830593,3.6675070287311056,8.189658214624451,0.4856594687195328,9.646387476123634,23.263989848967377,0.7834175485291346,6.427786588505181,0.9037800091505398,29.260054828915106,4.519284829147984,12.466540731800452,0.2284161875616951,-6.427786588505181,-0.9037800091505398,9.835007195054722,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0254,14.8614121313236,15.663428882088338,16.374280306810867,17.008415641876823,17.57707624082403,18.089157873618408,18.55184210119432,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0254_55,RSM0254.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664412919986608,0.3762398583652779,1.4434380009309444,3.602399292750421,5.930797517555133,7.525052968074005,8.370326036450024,8.766375269060097,8.91504015903031,2.78863003323226,0.2706364089037932,0.0045222167557317,12.696654853266336,3.824926236451169,7.696590827314847,0.5150188043861845,10.508221136231064,25.290159237761173,0.8984930794267738,7.653899468219013,0.958929181884151,32.45657307430283,4.488229876885456,12.535871181405188,0.1726819929386918,-7.653899468219013,-0.958929181884151,7.053185047219965,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0254,14.46865863601185,15.293829254080473,16.02752920407086,16.68301231073823,17.271147205081757,17.800833462543206,18.2794064504108,[Gd].[O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-].cat0,"linker [O-]C(=O)Cc1cc(CC(=O)[O-])cc(c1)CC(=O)[O-], nodes [Gd], topology "
RSM0203_0,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0029017281568374,0.1652909041450356,1.170266969834406,3.2671822915620727,5.42365119635472,6.8424104748170125,7.5787161021668705,7.920301966113216,8.047989793177551,2.4865068759307944,0.0876393341679876,2.282619147698326e-06,9.633980638248412,3.1535369711237773,5.766029631873609,0.3863622222828345,17.13409269170559,39.22582288914239,2.0191560988150843,8.942531703554748,1.866246437469296,73.67046345852795,-17.13409269170559,-39.22582288914239,-2.0191560988150843,8.712658517773738,1.866246437469296,-73.67046345852795,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM0203,20.307868993299667,20.704180511018883,21.017955859030007,21.27016576848889,21.47564506762333,21.64508806281028,21.78633979400072,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_1,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0029055786004555,0.1653509067000188,1.1700135884152716,3.265920985971305,5.421573025541658,6.839931580858931,7.5760664968876,7.917581046035057,8.045243441170905,2.4856060558646167,0.0876863160566466,2.288863583937744e-06,9.624730567622812,3.1513223549396634,5.760852859925126,0.3862774038725779,17.1325872519094,39.22259878335852,2.0189410359870568,8.943176892038828,1.8665131153760488,73.66293625954698,-17.1325872519094,-39.22259878335852,-2.0189410359870568,8.715884460194147,1.8665131153760488,-73.66293625954698,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM0203,20.303862177459884,20.70080284119985,21.015071080939485,21.267674401752323,21.47347268449805,21.643177827541017,21.78464754194269,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_2,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0029050509660844,0.1653368933514526,1.1699827986222011,3.265911929966621,5.421597148748612,6.8399780823477085,7.576124506329004,7.917644355253728,8.045308724468622,2.485586367179239,0.0876773629536713,2.2881086710408134e-06,9.62489279836192,3.151262872753368,5.761036060374145,0.3862592406084337,17.132617442897413,39.22266344149984,2.0189453489853446,8.943163953043967,1.866507767258173,73.66308721448708,-17.132617442897413,-39.22266344149984,-2.0189453489853446,8.715819765219832,1.866507767258173,-73.66308721448708,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM0203,20.30382463503537,20.700771962305208,21.01504525537095,21.267652494817213,21.473453874956647,21.643161507036776,21.78463325058621,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_3,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2060773347249394,0.5641778078424388,1.3424511293298125,2.75258128491912,4.2005686755365375,5.164445354108458,5.668571294574057,5.903346381273132,5.991252986468397,2.231172832391858,0.4663867320084985,0.0428222955160649,7.365402140549536,2.1115895531135,4.664233473500159,0.3188037176951203,3.96115329331156,8.53320786811565,0.597857236573324,8.505448160659382,0.616710179658738,22.146481390105784,3.96115329331156,8.53320786811565,0.597857236573324,8.505448160659382,0.6093260860203952,22.146481390105784,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0203,7.458344989723439,8.045806325934876,8.597309632096913,9.11783386362306,9.609536714922218,10.073236202982404,10.509300034500251,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_4,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404299016850544,0.4754250834950274,1.2348098078939236,2.5370051476794497,3.878236811637053,4.790563877311929,5.274543734524919,5.50151199364481,5.586749320680902,2.0589601475264447,0.3793432646978896,0.0200876949095805,7.606346818232576,1.5411771994372463,5.155574044090142,0.1008234817840559,4.069681313926234,8.85458496909745,0.7160124932528904,9.79778125994936,0.4684847598480051,29.77246795807114,4.069681313926234,8.85458496909745,0.7160124932528904,9.79778125994936,0.4684847598480051,29.77246795807114,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0203,3.688517253009077,4.39732355984938,5.115415860852052,5.826601078622885,6.5191257750187095,7.185178059789983,7.820171424713083,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_5,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2061530488502259,0.5638210289363788,1.3397544580494387,2.7463738724613083,4.191712834761128,5.15412882637202,5.657553190610631,5.892013020767034,5.979803256222793,2.2261245118971047,0.4662426765604441,0.0428561751804089,7.344698364155011,2.099089908111446,4.653262146303962,0.3140541880272161,3.9444733097061855,8.497001799887972,0.5953942046944798,8.474728571515552,0.6144998855608358,22.055041369688293,3.9444733097061855,8.497001799887972,0.5953942046944798,8.474728571515552,0.6072911263115403,22.055041369688293,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0203,7.466466105934115,8.053364210930049,8.60432191957016,9.124332996638692,9.615560064914956,10.078821503649085,10.514483387542985,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_6,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404805002128877,0.4756055540387268,1.2355305465020916,2.5385509273374387,3.8805239823211743,4.793315277268003,5.277531222612014,5.504608071827289,5.589885849910242,2.060218726828947,0.3794699531946124,0.0201015794624994,7.610774379707161,1.5429677532409405,5.15809250251353,0.10113870816602,4.067127213914787,8.849145436168858,0.715677129317759,9.792544248456856,0.4679769927212819,29.76176298266919,4.067127213914787,8.849145436168858,0.715677129317759,9.792544248456856,0.4679769927212819,29.76176298266919,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0203,3.690415013640941,4.39934323739914,5.117478498871112,5.828648293437053,6.521117474227308,7.187088752492346,7.821986515663522,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_7,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2061358930499006,0.5640818061218287,1.3415922590121243,2.750773241258788,4.198158940099054,5.161749634672584,5.665751355054788,5.900473563740705,5.988361121113176,2.229658474361883,0.4663678963801719,0.0428477523358126,7.359166167363133,2.1083236492404613,4.660609868679296,0.3174932039379397,3.9585144149144273,8.527355355627932,0.5973124723383694,8.498846884451693,0.6165988147907518,22.121372693043583,3.9585144149144273,8.527355355627932,0.5973124723383694,8.498846884451693,0.6092269695069281,22.121372693043583,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0203,7.451247609441069,8.039602852500055,8.591866985309403,9.113035832289327,9.60528493579406,10.069448614617317,10.505908572746618,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_8,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404000358867492,0.4754470960568847,1.2350803196551927,2.53741959882194,3.87852148097829,4.790665283512721,5.27452665684597,5.501435223898049,5.586649515218128,2.0593612383489446,0.3793370245314644,0.0200787818519219,7.607017068154007,1.5417392152048923,5.155798231078496,0.1009536937180026,4.072283544789138,8.86015517457719,0.7163814968108729,9.80333551927612,0.4689508709107791,29.78528705281542,4.072283544789138,8.86015517457719,0.7163814968108729,9.80333551927612,0.4689508709107791,29.78528705281542,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0203,3.688887044542698,4.397668575261425,5.115709498607571,5.826828403472288,6.51928090991438,7.185261457949077,7.82018754429899,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_9,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2060764450775604,0.5641795303294528,1.3424554557671509,2.75259674605964,4.200605463806025,5.164498211838431,5.668632646776975,5.903411667346545,5.991319739251859,2.2311825836970622,0.4663874910000669,0.0428218976675625,7.365550215352665,2.1115945628280364,4.664458499068285,0.318848270298331,3.961130651232339,8.533147166333485,0.5978492571238033,8.505465086042607,0.6167259104126024,22.145991723438893,3.961130651232339,8.533147166333485,0.5978492571238033,8.505465086042607,0.6093450173451213,22.145991723438893,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0203,7.467047459943688,8.053634087565847,8.604379568891066,9.124248915823976,9.615384053178747,10.078588574629483,10.514218021764387,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_10,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404336141193148,0.4754830355713678,1.2350113797458926,2.537294756573417,3.878547320578168,4.790874933881501,5.274852769896312,5.501819681771195,5.58705644568389,2.0592302763592154,0.3793791835529637,0.0200883036890059,7.607397344932829,1.541542217903643,5.156151481162934,0.1008644809008099,4.069591938438645,8.854398802613288,0.7160048109990964,9.797630426431418,0.4684593919818912,29.77237707774352,4.069591938438645,8.854398802613288,0.7160048109990964,9.797630426431418,0.4684593919818912,29.77237707774352,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0203,3.68846266779069,4.397250634032021,5.115326204969217,5.826497026881122,6.519009984623553,7.185053209474199,7.820040019941162,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_11,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.206149423632815,0.5638222694363526,1.3397791847079374,2.7464383045799003,4.19181333677702,5.1542494040467135,5.657682874077349,5.8921466115357255,5.979938255346997,2.22617462363246,0.466241429734098,0.04285463514695,7.3450556184556275,2.0992393360658976,4.653502178224327,0.3141163893242256,3.944456934740417,8.496958595080573,0.5953969857755187,8.474923977556886,0.6145072625084175,22.055236692036097,3.944456934740417,8.496958595080573,0.5953969857755187,8.474923977556886,0.607304369736894,22.055236692036097,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0203,7.465832878653424,8.052805583855946,8.603831630554248,9.123903645611112,9.615184155104712,10.078491982289387,10.514193891321314,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_12,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404372395009031,0.4756072855761277,1.2357057129770668,2.5388286708808105,3.8808106185457625,4.793588098111136,5.277793506404648,5.504864894801803,5.590140550829936,2.060476057836405,0.3794468905408162,0.0200887208703644,7.612057698514437,1.5433382484848168,5.158856556103294,0.1011722773398909,4.067066395519318,8.849018563063426,0.7156717172088272,9.792440133189936,0.4679600762395453,29.76168822702131,4.067066395519318,8.849018563063426,0.7156717172088272,9.792440133189936,0.4679600762395453,29.76168822702131,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0203,3.690542963181344,4.399490950694516,5.117643461885593,5.828827334533377,6.521307223482609,7.187285963373629,7.822188256277147,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_13,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2061861780926764,0.5641540778247905,1.3417006316464128,2.7509284156571785,4.198345311790104,5.161950630283944,5.665958462624382,5.900683195749381,5.9885716482000175,2.229798748111758,0.4664352704514858,0.042868264066351,7.359543763055936,2.108589738572627,4.6607962354340575,0.3176128239434039,3.958828791829346,8.528031881206617,0.5973557400946349,8.499437629042067,0.6166502674720256,22.122859454711005,3.958828791829346,8.528031881206617,0.5973557400946349,8.499437629042067,0.6092762625051764,22.122859454711005,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0203,7.455273024443151,8.043231915193052,8.595153551987039,9.116026791914296,9.60801958798024,10.07195947780712,10.50822255514824,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_14,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403967276734589,0.4754395884801199,1.2350557665301676,2.537372715064372,3.878458480003743,4.790592600056547,5.2744489319268615,5.501355131444504,5.586568531569953,2.0593213973626234,0.3793310816164785,0.020077848812404,7.606895265117278,1.541670430359858,5.155746424309881,0.100942791551356,4.072328565740325,8.860252030633866,0.7163883527314472,9.8034353875919,0.4689580503829808,29.785541862499684,4.072328565740325,8.860252030633866,0.7163883527314472,9.8034353875919,0.4689580503829808,29.785541862499684,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0203,3.6891619418554895,4.397965446932881,5.116020050177948,5.827145622402053,6.5195992084014565,7.185576580270774,7.820496376587937,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_15,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1188918555045566,0.786547299466155,2.189354439405017,3.9559135493281854,5.477321426894474,6.435335971871071,6.927751544133124,7.155677085780544,7.240827230399547,3.3576570196306967,0.5761503263794405,0.0048088921408796,10.52444328089154,5.310645474379204,6.357301933257967,1.7272988904484377,1.5119913896494253,3.223736459752421,0.2020314369454122,3.1282428852127224,0.2940272241213463,11.600585687155371,-0.5083229798046967,-1.222070366578586,-0.2020314369454122,-2.1245744753679943,0.152605218259558,-11.600585687155371,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,7.688433543363645,8.47468028011277,9.240015424169997,9.984287986862231,10.706431020298975,11.404754805488702,12.077371818248798,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_16,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173502323009611,0.8982667708840106,2.117823245630293,3.7307052228194313,5.129620904615646,5.99919765664851,6.442389963430951,6.646719086806216,6.722927915974065,3.178709967780429,0.7072811834676128,0.0232668191252317,9.89737097708609,4.916973359644929,5.974815433371443,1.633930405623804,2.1860907935808265,4.8038872123330965,0.4307010001408087,5.631698794707296,0.1652460278794515,19.54447397072031,-2.120919207827259,-4.673912260285471,-0.4307010001408087,-5.566527208953728,-0.1362446722191142,-19.54447397072031,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,9.338680511412376,10.135194663435254,10.90300266063087,11.638429542541092,12.339085753114196,13.003644083589744,13.6316348190074,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_17,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1189083174313355,0.7866083141915731,2.1893990544235806,3.955669501141484,5.47663921143126,6.4343330646788335,6.926577444562785,7.154422933480443,7.239543080407267,3.357543941508506,0.5762013218017538,0.0048099501180097,10.52130591314855,5.310163873150516,6.355108589953238,1.727477144002187,1.5118133697817502,3.223333612496204,0.2019850617083929,3.1276938634488944,0.294034958849642,11.59876808307661,-0.5080372473021793,-1.2214527026290716,-0.2019850617083929,-2.123917740969324,0.1526454156537671,-11.59876808307661,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,7.686555334599558,8.47300621547145,9.23853154969748,9.982974254830788,10.70526582696974,11.403717468823572,12.076443742470422,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_18,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174658424881868,0.8985488304767913,2.118300817256386,3.731231810643384,5.129976308731157,5.999369903108246,6.442450893331016,6.646725108828743,6.722912913830663,3.1792522304989395,0.7075270326071471,0.0232857263688997,9.898022579774327,4.918378617300724,5.974581331706382,1.6346017843342056,2.1859296106629,4.803512893201964,0.4306497261679418,5.631127420006433,0.1652704401800996,19.542642576673337,-2.120567651016517,-4.6731582689812,-0.4306497261679418,-5.56576546036005,-0.1361843681374592,-19.542642576673337,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,9.33628768154615,10.133047883072418,10.901065452307598,11.636670055037774,12.33747722610274,13.002164544745629,13.630266441042526,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_19,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1188926981138294,0.7865347719735473,2.189357365983996,3.956234481149511,5.478154773558164,6.436552924787476,6.929175416130716,7.157198181104069,7.242384831529189,3.357829570216848,0.5761434273098869,0.0048088911196505,10.526110682212105,5.311336752402907,6.35804631283902,1.7273693056458068,1.512335978470025,3.22449802215283,0.202103532934826,3.129164241948633,0.2940453861663623,11.603750551046645,-0.5086993508782348,-1.222895313915143,-0.202103532934826,-2.125527614356843,0.1525729131119843,-11.603750551046645,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,7.687348202806311,8.473707220527219,9.239148213863688,9.983517315380247,10.705746421279237,11.404145819416245,12.076828660774847,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_20,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173983799375127,0.8984554912786987,2.1181007389131827,3.730946495514828,5.129735892471861,5.999212626010222,6.442351398680998,6.646655624588357,6.722855156470692,3.178980285671664,0.7074414084507439,0.0232639008667084,9.896881885212668,4.917648326865066,5.974079940866027,1.6342938788125885,2.186699371909336,4.80523723835408,0.4308332082003998,5.633365037512536,0.1652689551239048,19.55016102355468,-2.1216327100946617,-4.675471541363984,-0.4308332082003998,-5.568298375697861,-0.1363142906163747,-19.55016102355468,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,9.337509677839735,10.134174684318412,10.902101034395974,11.637623071873463,12.33835749454039,13.002981367915224,13.631027951482965,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_21,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1188731045410714,0.7865070683736384,2.1893492804057546,3.955937742164509,5.477346043961144,6.435352738208047,6.927762481313601,7.155684976172936,7.240833930175511,3.357675219379928,0.5761101658811995,0.004807319265687,10.524656691051526,5.310638999552193,6.357618888330555,1.7273283735488667,1.5119953594481728,3.223746991617389,0.2020339729992198,3.128267143441931,0.2940242355808998,11.600656257225262,-0.5083443705440249,-1.222115641896402,-0.2020339729992198,-2.124616154537783,0.152600454481446,-11.600656257225262,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,7.688419455098747,8.474659567904531,9.239990797007382,9.98426161684512,10.706404566240552,11.404729463830549,12.077348393131352,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_22,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174387567042673,0.8985077272180257,2.118085210664022,3.730919078366812,5.129788644148632,5.999337273974692,6.442515462928111,6.6468381259131295,6.7230445532408565,3.1789418288414377,0.707497752465183,0.0232739932224895,9.897560764880984,4.91767054847752,5.974743026507705,1.6342684026924112,2.1859255922229104,4.803531962887035,0.4306759954193206,5.631333555577475,0.1652193971279686,19.543147869500963,-2.1208343619702967,-4.673717267832735,-0.4306759954193206,-5.566242325324861,-0.1362537996655555,-19.543147869500963,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,9.338669010504905,10.135180059444478,10.90298589992416,11.638411394106162,12.339066820912414,13.003624828801598,13.631615584896773,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_23,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1189156445479201,0.7866383628970722,2.1894736447988,3.9557939681332894,5.476804232094321,6.434522123805939,6.926778285800135,7.154629086173648,7.239751193755961,3.357651905285351,0.5762245194470323,0.004810507599349,10.521996122416349,5.310485432139101,6.355638939015497,1.7276115940307537,1.511830853530807,3.2233716824854484,0.2019881666970092,3.1277361871068807,0.2940369172643168,11.598917601594218,-0.5080508134392852,-1.2214829595289218,-0.2019881666970092,-2.1239561470153587,0.1526452005764104,-11.598917601594218,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,7.686599895816934,8.473069526245004,9.238610697458109,9.98306647180086,10.70536853557167,11.403828320984726,12.076560645560631,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_24,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175250143454381,0.8987899338219953,2.118654436409709,3.731613606559226,5.130346909088748,5.999725808085496,6.442797870116322,6.647067712044505,6.7232538486050535,3.17963150061444,0.707730901000628,0.0232809458520115,9.89908886351752,4.919460330356186,5.975011236200498,1.6350662403184784,2.18564404740595,4.802896067089023,0.4306038361848729,5.630474736884933,0.165229408249011,19.54029696072721,-2.1203943144427786,-4.672765262153922,-0.4306038361848729,-5.565225003921762,-0.1361932770803997,-19.54029696072721,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,9.336350904212154,10.133113242587624,10.901132711148374,11.63673881873398,12.33754701076504,13.0022348379893,13.630336747030832,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_25,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1188859588223503,0.7865273959761041,2.1893644977362268,3.956244001127936,5.478152061854551,6.436537391575398,6.929152113430233,7.157171051077148,7.242356236936286,3.3578404691805046,0.576134097144305,0.0048082733039935,10.526084380223407,5.311369606643261,6.3580230877117145,1.7273788657082636,1.5123167833348548,3.2244609463177616,0.2021047026448761,3.129154404493864,0.2940346511248675,11.603677969571798,-0.5087302431139069,-1.2229581298281145,-0.2021047026448761,-2.125567864272916,0.1525613592734543,-11.603677969571798,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,7.687343317908176,8.473717069345671,9.239172943556715,9.98355641562085,10.705798874177471,11.404210264469816,12.076903547277208,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_26,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173964673017627,0.8984533513372619,2.118091156551745,3.730929413280825,5.129714828680862,5.999188749673969,6.442325797171022,6.646629146898483,6.722828338135393,3.1789651623923514,0.7074396664648165,0.0232630737001819,9.896841018366915,4.917607425178805,5.974085180701401,1.634279742048253,2.1867099484230272,4.80526217749236,0.4308369383952579,5.633405455585091,0.1652666675571384,19.55028851002029,-2.121659435529552,-4.675528687103257,-0.4308369383952579,-5.568354942691615,-0.1363191893195417,-19.55028851002029,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,9.337548960138568,10.134226898084869,10.902165959181126,11.63769973809272,12.33844449367609,13.003077084138065,13.63113072442758,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_27,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1542193430512212,0.7850114670673721,2.005922394829072,3.837648756597784,5.576666960709691,6.699623885808848,7.280035943644956,7.549050707729491,7.649587795888085,3.1850820967408944,0.6029539716203357,0.0092690897662522,9.82121014876378,5.146235752667096,5.459842006459255,1.3980831582818394,2.2544885011205102,4.761998675514022,0.2577662033387961,4.316618127830879,0.5199357517383845,16.427766572378474,-0.3231735322674501,-0.910280667381922,-0.2577662033387961,-2.38530315897782,0.3394994094012274,-16.427766572378474,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,6.347057427672021,7.129625758201962,7.91582356440037,8.697178431790173,9.466607107805665,10.218158819727265,10.94696204677349,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_28,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1234544906976127,0.741322450197133,2.024177027777392,3.8878398288129135,5.6455122863617655,6.786573443438837,7.378764997238957,7.653807614496089,7.756689175678628,3.2283057257373144,0.5537587944939917,0.00545587453204,11.3298740527474,4.89731135859797,7.009932841321232,1.45526466854397,1.39257267086504,2.9400872683205668,0.1579130776431602,2.655877292010321,0.3236078179540173,10.121124907188404,-0.1865581055665624,-0.5348721200175485,-0.1579130776431602,-1.4498627267118442,0.2130686636038052,-10.121124907188404,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,7.221018139530929,7.977037950869342,8.729205267294088,9.473641637947232,10.205668197920096,10.920518164790904,11.613867799041172,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_29,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1015846498708364,0.7313990487996035,2.181557346923233,4.0393273121533335,5.593953475381967,6.550624295958311,7.036741797504046,7.260606567697358,7.344064078560093,3.4151063525557186,0.5263165264247299,0.0036380073544778,11.286424215750186,5.418350529391543,6.9488367082379945,1.7357152696742333,1.0843377805361265,2.3486554478790804,0.1805088168561478,2.5284083153853087,0.1440762807332988,9.031865239803588,-0.7207503880253523,-1.6235349316252186,-0.1805088168561478,-2.164820922874535,0.0177201089339954,-9.031865239803588,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,7.655067287762353,8.443885680316352,9.222241670716652,9.985513246660336,10.729286545965646,11.44955636766998,12.142953897031928,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_30,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1541886642553811,0.7849441320138945,2.005867709690888,3.837623806845588,5.576666026713093,6.699638390035871,7.280058640630818,7.549077266849816,7.6496158097277025,3.185047394522412,0.6028908526532962,0.0092654476980887,9.82122206727831,5.146110380990705,5.45984040546235,1.3980157224769243,2.254560127662228,4.762162257390784,0.2577863132148288,4.316850633380858,0.5199299195318873,16.428526902607715,-0.3233030044860607,-0.910559613784396,-0.2577863132148288,-2.3855935102046915,0.3394795002815072,-16.428526902607715,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,6.347028059539633,7.1296001632048265,7.915800332451576,8.697156562286787,9.466585936708109,10.21813793938279,10.946941233696045,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_31,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1234675633030395,0.7413431424813673,2.0241686850141623,3.887794903307188,5.645440238730661,6.786485275663034,7.378668696530348,7.653707574226321,7.756587741823194,3.2282723882674644,0.5537809585688218,0.005457458580354,11.329502703039452,4.897239648927531,7.009685436497053,1.4552646479100888,1.3925852543023796,2.9401089796462645,0.1579097949858039,2.6558636141888106,0.3236195725661765,10.121122171227976,-0.1865126955556595,-0.5347781721097438,-0.1579097949858039,-1.449791055442091,0.2130827160761139,-10.121122171227976,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,7.221064922740099,7.977059921579268,8.729204868809472,9.473621712302982,10.205631702998025,10.920467974258605,11.613806575453069,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_32,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1015784845553443,0.7313779378440106,2.1815277578529098,4.039296583959131,5.593922868706006,6.550593511238612,7.036710819885293,7.260575478457734,7.344032944146391,3.415075632524791,0.5262985090777907,0.0036376425571502,11.286267542834384,5.418261216592007,6.94868244029973,1.7356787407468377,1.084281476595066,2.348534809473642,0.1805007193201535,2.5282872311562947,0.1440664083595165,9.0314217693784,-0.720725716606469,-1.6234773795403827,-0.1805007193201535,-2.164731471167697,0.0177159048354092,-9.0314217693784,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,7.655088273084306,8.44389708716357,9.222244282152545,9.985508086962788,10.72927474116478,11.449539042660357,12.142932109067948,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_33,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1542068611285412,0.7848219027996369,2.004582032472245,3.834598875468512,5.572243624747813,6.694350751224363,7.274323924097137,7.543134515679105,7.643595129904825,3.182596243246833,0.6028520885503683,0.0092688474876107,9.803960356611466,5.1383131900423855,5.450446114355579,1.3963726231272318,2.2531347489787894,4.758786499897991,0.2572692925113653,4.311289089069712,0.5202650398367513,16.411059595121255,-0.3195581761348637,-0.9025580618467086,-0.2572692925113653,-2.3777125162257864,0.3401765350787957,-16.411059595121255,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,6.349672769525751,7.13220090147614,7.918288527129721,8.699485881077878,9.468730057069145,10.220086167796111,10.948694006519338,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_34,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1234391678185326,0.7412894647502022,2.024256913023813,3.888408228944445,5.646696674833957,6.788189144650421,7.380610260425552,7.655760573071344,7.758682580616525,3.228671745973936,0.5537264112000788,0.0054543509332341,11.332066832002171,4.8988146723090615,7.010336351391175,1.4553941897996323,1.3928955833638272,2.940807732820208,0.1579872417712327,2.656793517533689,0.3236124562758417,10.12422275224379,-0.1869768343485003,-0.5357836757214902,-0.1579872417712327,-1.4508747685183625,0.2130213870359789,-10.12422275224379,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,7.221953312925716,7.977857813972822,8.729935194885057,9.474305300141893,10.206285015309552,10.921102744252307,11.614430378334,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_35,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1015754489951818,0.7313557289694713,2.181384680778621,4.038620541323761,5.592572905346459,6.54879069324095,7.03467516159919,7.258432646358647,7.3418502049108465,3.414623512807052,0.5262821578442324,0.0036376913899343,11.280084873004226,5.416851700024586,6.944215249347079,1.73541286878363,1.084673958273207,2.3493605383273723,0.1805424095258068,2.5290132344796614,0.1441628935706892,9.03421798188217,-0.7207501369848611,-1.6235690653409598,-0.1805424095258068,-2.165089413191316,0.0177832069026246,-9.03421798188217,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0203,7.65586803410809,8.444974711388907,9.223509158458851,9.986882252897413,10.730703912823458,11.450985755200003,12.144370751814462,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_36,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0648339461134298,0.3730199366295829,1.3370207267461347,3.148114780047448,4.979706013190035,6.181560996640669,6.805164957511596,7.094490880522655,7.202650491832325,2.4806230814792034,0.269955849783325,0.0042490659177251,9.001642570428723,2.930680942750307,5.372415895589815,0.4076573655924741,6.449077924532292,14.11430749891923,0.7916465704090477,9.25901238417758,1.102909300671482,30.48377057084792,-1.457823944393907,-2.6817976849518392,-0.2044402198045319,-9.25901238417758,-1.102909300671482,-4.37926708662738,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,15.211877302379117,15.935982872535185,16.587443033814644,17.175320697750923,17.707240200679134,18.18963574720048,18.627980380648903,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_37,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2444496970031913,0.7513916882225736,1.6971623186286546,3.2389825944831494,4.772868574634071,5.78605229513117,6.31496748987991,6.561155634252097,6.653319845424734,2.678511823358632,0.6158410988996585,0.0444899931755531,8.298855954764287,3.4726282030519746,4.898024358780811,0.8340779917863369,5.271431183555404,11.454860535932456,0.6455849529104984,8.206384010266067,0.9564724198331518,25.24229251949036,-2.112651555076529,-4.219648854369467,-0.2739638201482777,-8.206384010266067,-0.9564724198331518,-6.941914537566801,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,15.934002717182036,16.661937821699837,17.30127094527189,17.8662664923327,18.36802630646399,18.815384978899257,19.21553575781158,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_38,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0649607543435967,0.373440942245185,1.338105130418749,3.149779920038764,4.981607841084459,6.183533382803455,6.8071583841813785,7.096491363437791,7.20465322876829,2.482134255576679,0.2702847828191623,0.0042654852407169,9.005669650717113,2.934394117157846,5.373817965029275,0.4086096289611143,6.449417119974116,14.115630507279638,0.791608010972917,9.253502324096855,1.1026881248539853,30.482696158040284,-1.450313701454938,-2.66514148774995,-0.2034781970294842,-9.253502324096855,-1.1026881248539853,-4.345321122043758,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,15.182225470398208,15.909761901401897,16.5641644053574,17.1545673501475,17.68865908687194,18.17292918073985,18.612897581018103,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_39,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2445381715942229,0.7514604727742821,1.6966825976500113,3.2374561387481644,4.770573268767909,5.783373759229447,6.312119510304581,6.558234964574341,6.65037290453534,2.6773360442285217,0.6159351808750749,0.0445244512239497,8.288023586278355,3.4699654744272763,4.891217986628765,0.8346948056925523,5.269607204521266,11.451120580121035,0.6452158705384918,8.199361117485287,0.9561726102590814,25.232049496934373,-2.107645381784056,-4.208620055467085,-0.273220361981173,-8.199361117485287,-0.9561726102590814,-6.9132186412538985,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,15.94394813585552,16.67054154208229,17.308771022342004,17.872850739985726,18.373844377603,18.82055722707089,19.220159805177,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_40,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0649767559939892,0.3730931266486165,1.3361154420946966,3.146007413297655,4.9767154517037255,6.178030679417067,6.801353574589567,7.09054786269158,7.19865800618768,2.478894148906195,0.2701150600973906,0.0042682712013407,8.988722636009951,2.925695307954752,5.365457456527575,0.4073265205073391,6.4479019215138775,14.112162054009268,0.7914095210733597,9.25235277741461,1.1025427227727578,30.47609695122631,-1.4515660618751696,-2.6680121517009434,-0.2036053022923352,-9.25235277741461,-1.1025427227727578,-4.349421866573004,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,15.187166181884898,15.91448171764505,16.56865424375878,17.158813518717604,17.692652716148416,18.17666847322617,18.61638712487326,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_41,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2445159057744977,0.7514579541696855,1.697073401542202,3.2387422549557234,4.772690511196166,5.786006597934752,6.31501459999987,6.561250939662636,6.653433972058433,2.678299434159412,0.6159165126678985,0.0445158635742008,8.296906837872013,3.4728408659253334,4.8965555543220844,0.8345632909894584,5.27115287982499,11.454336205154114,0.6455539314560766,8.205351423499879,0.956366145548251,25.24064794513809,-2.1116562601955486,-4.21748224924524,-0.2738484467937894,-8.205351423499879,-0.956366145548251,-6.938435293607226,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,15.938110792193502,16.66583548565278,17.30492797371859,17.869673260397178,18.3711858413349,18.818307696213925,19.218236033101835,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_42,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0649562458816301,0.3732790440855966,1.337298994444543,3.148344392051939,4.979882012289828,6.181704020588388,6.805291737747988,7.09461033112943,7.202767236151408,2.48087236898182,0.2701953377769565,0.0042652100992353,9.001995378275042,2.9311006316895654,5.37255779791604,0.4078465473144581,6.449252147995482,14.11470864998284,0.7916576668244586,9.258934288320422,1.1029386660216651,30.484471142842043,-1.4575149561119514,-2.68109203539168,-0.2043944677793372,-9.258934288320422,-1.1029386660216651,-4.377353568290804,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,15.212192829568794,15.936253712058146,16.587677459692586,17.175525214586536,17.70741995106034,18.189794822469864,18.62812205828412,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_43,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2444483910223943,0.7513871015692576,1.6971482280046228,3.2389701010891683,4.772862655346649,5.786049903461321,6.314966499050202,6.561155188466426,6.653319586314459,2.678497391608358,0.6158378946648524,0.0444895680192654,8.298886279055656,3.472566358702067,4.898143999745889,0.8341016282949617,5.271313519076764,11.454597720725074,0.645573523674692,8.20630705468545,0.956452087909798,25.24177026848939,-2.1127210928758973,-4.2198148275765925,-0.2739744147098842,-8.20630705468545,-0.956452087909798,-6.942407574970775,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,15.93438767533124,16.66226444956608,17.301553092918724,17.866514328137747,18.36824722186166,18.81558434212409,19.215717491329148,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_44,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0651080066569143,0.3737652090515171,1.3384799760645067,3.150091191253879,4.981837222728107,6.1837115561614375,6.807311289003883,7.096632863352102,7.204790517322851,2.4824740735723734,0.2705799563415557,0.004284942558699,9.006258244807306,2.9349729491775665,5.374092574290808,0.4088433681522987,6.4495792559936405,14.116018722392823,0.7916184992883949,9.253312027643124,1.102705611767428,30.483288668639364,-1.44985769056193,-2.6641138320875504,-0.2034159621787818,-9.253312027643124,-1.102705611767428,-4.342917482711824,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,15.182927326135337,15.910385621255656,16.564722232502408,17.155069114631864,17.689112769352274,18.17334131843392,18.613273573307275,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_45,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2445351572821302,0.751453988492325,1.69666305164585,3.237439806104245,4.770571261506408,5.783382053697728,6.312133024784044,6.558250846031452,6.650389660573905,2.6773162212523465,0.6159304626274421,0.0445229723383901,8.288286115009956,3.469895970240273,4.891478874766992,0.8346323704051045,5.2697158162273965,11.451338634613204,0.6452419148786401,8.199883210183788,0.9561885621668664,25.23269511860062,-2.1080445890410315,-4.209503721547068,-0.2732805940331851,-8.199883210183788,-0.9561885621668664,-6.91559269331326,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,15.94470179418245,16.67121131226859,17.30936778300887,17.873384454677826,18.374323715650466,18.82098956615656,19.22055137027356,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_46,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.064963802961825,0.3730762759442262,1.3361167898267712,3.146018730389064,4.976721852931413,6.178029289476087,6.801347138958887,7.090538891751376,7.198648058334505,2.478904150996774,0.2700962921141585,0.0042664969961863,8.988622648705556,2.9257519061771995,5.365386360003171,0.4073658341680368,6.447975244941472,14.112344763612525,0.7914217542954652,9.252331296102856,1.102536960625603,30.47636723310619,-1.4513664354048277,-2.667569667234877,-0.2035854237617423,-9.252331296102856,-1.102536960625603,-4.348883998896076,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,15.188051054100807,15.915279809891592,16.569378610881312,17.159474952518075,17.6932599942064,18.177228702818304,18.616906079274827,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_47,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2445591147581495,0.7514921287596332,1.697072537072538,3.2387098970151142,4.7726440726702535,5.785956021707436,6.314963019514657,6.561199120647773,6.65338209850477,2.6782757581656185,0.6159557388459327,0.0445358651558529,8.296833884537635,3.4727567564078297,4.896500861921465,0.8344789132473114,5.271189690620938,11.454409938645282,0.6455738569685671,8.205710913740923,0.9563582620598388,25.24091363679041,-2.11192437773049,-4.218085792794985,-0.2738955848638085,-8.205710913740923,-0.9563582620598388,-6.940516827342735,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,15.938468299823736,16.66615342835533,17.30521336002653,17.869931718262045,18.37142174934719,18.81852443241565,19.218436217306675,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_48,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.051927919254867,0.3593126157987604,1.3673393439961556,3.312282232715296,5.35545268632418,6.727255760363081,7.446719374601479,7.782087919097782,7.907700297269835,2.585696096940304,0.2525375769024737,0.0026545814374946,10.011722432481712,3.04790063388487,6.223044640566726,0.5276610573160234,6.540769695543216,14.71629581732109,0.7295425205830471,4.953120564090249,0.9472844802974392,28.99185382965741,3.976548473956354,9.373711156455,0.5077890287698433,-4.953120564090249,-0.9472844802974392,21.23048161619528,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,13.508804377478391,14.492940233894124,15.370826281342875,16.152955679488823,16.849902518783406,17.471607029401444,18.027078110632687,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_49,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0519482610252034,0.3593594240414972,1.3673927802804753,3.312312058074184,5.355440890322018,6.727212163021201,7.446658473144062,7.782018855202292,7.907628163482655,2.585737561983376,0.2525802949168239,0.0026567297545567,10.011680083064173,3.0479607366060124,6.223007518018354,0.5277000521847355,6.540705309497034,14.7161511644631,0.729531893170531,4.95301384819941,0.9472791789554302,28.99155324415424,3.976552383273951,9.373717286850342,0.5077925412731145,-4.95301384819941,-0.9472791789554302,21.230675927744656,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,13.508690064137364,14.49282495591896,15.370712081519008,16.152843897231758,16.84979401322751,17.471502331940993,18.02697752667769,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0203_50,RSM0203.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0519170948451062,0.3593100215685098,1.36713839840195,3.311605481230423,5.354535805762358,6.726289511728732,7.445753634221952,7.781127653848382,7.906742875669828,2.585168549867605,0.2525321458333897,0.0026532763111073,10.007121410436625,3.046742309499304,6.219796042210223,0.5273263471436862,6.54233728668383,14.720105606279194,0.7297707975983176,4.952896557649447,0.947263860143906,28.99788287850869,3.980106118895813,9.38164076445356,0.5081637207051699,-4.952896557649447,-0.947263860143906,21.24163518724853,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0203,13.517439969394127,14.501427833371716,15.379097510289816,16.160961808913317,16.857611122493598,17.478998668668932,18.03414340299709,"[Mn].[O-]C(=O)c1cc(O)c(c(c1)O)[O],sod.cat0","linker [O-]C(=O)c1cc(O)c(c(c1)O)[O], nodes [Mn], topology sod"
RSM0148_0,RSM0148.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0043944393986182,0.2212445187064859,1.3867763992922977,3.4236389362584285,5.339592385374198,6.5695705597241805,7.204796263386932,7.499268045425581,7.609338020282925,2.6982553726114205,0.1194770389610311,5.505808747515735e-06,9.26151025923356,3.552074531632905,5.443929917573689,0.5829750880336347,21.63179438737704,48.85121559017641,2.043755613608808,4.893272975928659,1.3549665861104192,65.90392101573138,-21.63179438737704,-48.85121559017641,-2.043755613608808,4.018160703752486,1.3549665861104192,-65.90392101573138,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0148,20.37163441475125,20.74081363314059,21.034822065225704,21.27227430377009,21.46649777093411,21.62719402800717,21.76153660266193,[Cu].[O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-], nodes [Cu], [OH], topology "
RSM0148_1,RSM0148.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0043935613322735,0.2212537224300638,1.3868535774429045,3.423783121362942,5.339769799654683,6.569762630571092,7.204994807035074,7.499469413319319,7.6095404198211,2.698381040072348,0.1194797663505622,5.49940853590024e-06,9.262014321448476,3.552425736806624,5.444091358841404,0.583045965716566,21.632036119639366,48.85173138686033,2.043788296668745,4.893423440385574,1.3549202582198965,65.90500016861532,-21.632036119639366,-48.85173138686033,-2.043788296668745,4.017657507010673,1.3549202582198965,-65.90500016861532,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0148,20.370946627995547,20.740243058897686,21.03434085894765,21.271862826910805,21.466141777917027,21.626882930596604,21.76126236297992,[Cu].[O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-], nodes [Cu], [OH], topology "
RSM0148_2,RSM0148.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0058432194058447,0.2160303633260281,1.21567011696476,3.0084450042172146,4.7647325691863935,5.910376902042827,6.504651529536679,6.7804591298306764,6.883586433009646,2.358993573869559,0.1227717136182615,9.542601961467468e-06,8.349109661938982,2.476125383319764,5.423723609633065,0.4247560651513692,22.57660645507899,50.85801864398856,2.171318490955885,5.4742940608289,1.159832373190676,70.03298077029469,-22.57660645507899,-50.85801864398856,-2.171318490955885,1.949496730456604,1.159832373190676,-70.03298077029469,0.0,0.0,0.0,5.0,1.54,0.0,-28.0,-62.53806,-3.0,-10.0,0.0,-101.0,RSM0148,19.752972878565384,20.209887670664703,20.57518224530769,20.871086954321363,21.113689048420213,21.314791139433265,21.4831720919499,[Cu].[O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-], nodes [Cu], [OH], topology "
RSM0148_3,RSM0148.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0058440723899495,0.2160427133872319,1.215692860613435,3.0084607443790743,4.764739075540526,5.910378235365839,6.504650499983897,6.780457076354021,6.883584008237285,2.35901271549725,0.1227804167942664,9.545623236829243e-06,8.349093044919448,2.4761705035801884,5.423706555046852,0.4247795760963476,22.5766498420974,50.85811069262073,2.171323852975574,5.474315018651698,1.15982338519686,70.0331391859574,-22.5766498420974,-50.85811069262073,-2.171323852975574,1.9494104599843405,1.15982338519686,-70.0331391859574,0.0,0.0,0.0,5.0,1.54,0.0,-28.0,-62.53806,-3.0,-10.0,0.0,-101.0,RSM0148,19.75297693303528,20.209891165782874,20.57518527090066,20.871089587323965,21.11369135286384,21.314793167985968,21.483173887767137,[Cu].[O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-], nodes [Cu], [OH], topology "
RSM0148_4,RSM0148.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405935502566691,0.4773329492089853,1.2350032313964452,2.4320942362431848,3.539447693371485,4.241767161038863,4.601695226481171,4.767893575656997,4.829909953938169,2.0088396291404527,0.3804004203141629,0.0201301283663305,7.058725924233422,1.4813330832685012,4.815985858988502,0.1178028260727212,4.4276638688872,9.49285771133586,0.6426186694800937,9.568613224727953,0.7654004163796284,22.84498751917056,4.4276638688872,9.49285771133586,0.6426186694800937,9.568613224727953,0.7654004163796284,22.84498751917056,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0148,3.3734569714980176,4.045340190331935,4.741101303223423,5.442052749520547,6.133649318819589,6.805525261396911,7.450980951823771,[Cu].[O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-], nodes [Cu], [OH], topology "
RSM0148_5,RSM0148.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407240286612578,0.4798486290439968,1.242689493809488,2.6040795693358203,4.089802554940756,5.131690974974084,5.691628501292704,5.955644386666826,6.05501035159874,2.0933182643174506,0.3822432638371062,0.0201482230464626,7.666200290447164,1.6281313231230063,5.2045732162276765,0.1302723492496309,5.008736015031257,10.89283010109759,0.8763682951437991,12.01968237618165,0.5887775244887254,36.302100584909645,5.008736015031257,10.89283010109759,0.8763682951437991,12.01968237618165,0.5887775244887254,36.302100584909645,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0148,3.4158292089806874,4.072366959114579,4.752180465971402,5.437734323357894,6.115265712672805,6.774842675293329,7.409929044143532,[Cu].[O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-], nodes [Cu], [OH], topology "
RSM0148_6,RSM0148.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401418658023359,0.4775709214523784,1.2558906862916737,2.7506054772677886,4.444689239703368,5.642175537694674,6.286128492011864,6.589656537447126,6.703865704757552,2.178845718920442,0.3805701119430024,0.0199894527225554,8.583858543498481,1.911129458227092,5.719974528672035,0.1457190560173748,4.929900234949092,10.729401826321435,0.8703416255130917,11.892633239053826,0.5653070593643019,36.27441261117098,4.929900234949092,10.729401826321435,0.8703416255130917,11.892633239053826,0.5653070593643019,36.27441261117098,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0148,3.434446030978197,4.095284610108484,4.778579059349845,5.466819531841177,6.146328009530705,6.807288691386345,7.443291341387632,[Cu].[O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-], nodes [Cu], [OH], topology "
RSM0148_7,RSM0148.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1808344070464709,0.6758773965113111,1.695220471421005,3.2994458613612667,4.834838158683237,5.829476342570869,6.3445081749750045,6.583440421287768,6.672771035234349,2.725321698133841,0.5347918315105478,0.024125307713976,8.085965344675744,3.636735206621023,4.629947006717488,1.2801251296731226,11.435503269976374,25.10014476259033,1.4456587513145185,13.641939502887633,0.9316723447953548,50.92630688750949,11.435503269976374,25.10014476259033,1.4456587513145185,13.641939502887633,0.7979747194009988,50.92630688750949,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,5.0,11.00276,1.0,10.0,-0.3000000000000002,35.0,RSM0148,1.4844135338139894,1.9145151422272104,2.423087756176017,2.99850128268499,3.626676568447407,4.29330389800763,4.9851526005282265,[Cu].[O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-], nodes [Cu], [OH], topology "
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RSM0122_43,RSM0122.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0728610393852646,0.3928107376642711,1.2753201945354251,2.82476161687256,4.368268980120675,5.381334828226176,5.907972468611752,6.152596032171934,6.244093821542101,2.25925371798388,0.2893993439094014,0.0052593329642543,7.388543309353802,2.1415612748635366,4.660361646601216,0.3923196707150622,4.694090109372362,10.292938688450786,0.4910040197538386,4.627190640266545,0.7195211342270972,18.47678601294115,0.7276028131700666,1.958316705727504,0.0797004984085222,-4.627190640266545,-0.7195211342270972,4.081162765855074,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0122,14.598097155135624,15.33441468091006,15.999682982392867,16.602128964665727,17.149101386481057,17.64697215774631,18.101198013079788,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Co], topology "
RSM0242_0,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0009737414105749,0.0939129772191112,0.7869149678133278,2.299020609357856,3.878509990993192,4.926824106391931,5.473311676838899,5.727359667310044,5.822407086535315,1.7323888388162163,0.0462443118333097,2.893249061490831e-07,5.071940031295102,1.479716473167608,3.159477727255961,0.1635593900845716,40.32457250719802,97.00370303612505,2.9901136851139585,3.5303721027516626,1.5407487841771357,75.45909804603205,-40.32457250719802,-97.00370303612505,-2.9901136851139585,3.528520635935388,1.5407487841771357,-75.45909804603205,0.0,0.0,0.0,4.0,1.75,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0242,21.510821642629264,21.698938114714032,21.84678115416425,21.964938268191688,22.06076693959939,22.13949983763164,22.20493527425629,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_1,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0009729714689635,0.0938120029435347,0.7863615702870735,2.298513721388981,3.8786794934162905,4.927599369690759,5.47443095569922,5.728643658376715,5.823753370737818,1.7317617906092606,0.046194365388094,2.893868591729251e-07,5.073786910479488,1.478345654890498,3.161611630061139,0.1632592974675804,40.32459934036963,97.00281957301962,2.9899363491713618,3.5277512091813525,1.5396290140021005,75.44276421931264,-40.32459934036963,-97.00281957301962,-2.9899363491713618,3.526126345424957,1.5396290140021005,-75.44276421931264,0.0,0.0,0.0,4.0,1.75,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0242,21.52627383336453,21.71187548664123,21.857764248365005,21.97437412174639,22.06895784460956,22.14667475807399,22.21127066666965,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_2,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0009709816737227,0.0937873914698968,0.7861745202735113,2.297264507422851,3.875967935520948,4.923860621994436,5.470151738946564,5.724112980397344,5.819128634003587,1.73097572036402,0.04617392680509,2.874812969795197e-07,5.065706062551251,1.477449334561005,3.156281006798583,0.1632572486501995,40.32557490558547,97.00592322550668,2.990128201792174,3.529603369141609,1.5405418134699589,75.45613688517086,-40.32557490558547,-97.00592322550668,-2.990128201792174,3.5284367677232016,1.5405418134699589,-75.45613688517086,0.0,0.0,0.0,4.0,1.75,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0242,21.538427501061364,21.722326757769533,21.86681027086459,21.982258514940447,22.075877373171704,22.152787752480418,22.21670476549722,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_3,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0009733838950235,0.0939032278305499,0.7868980320458792,2.299023966712744,3.878533874289257,4.926858453227367,5.473350524060964,5.727400400696641,5.822448493396962,1.7323838262676383,0.0462379375553885,2.89046432184198e-07,5.0719919001487135,1.4797113914162052,3.1594940214498988,0.1635405376985804,40.32442058385569,97.0033597847388,2.990105718954516,3.5304077673559453,1.540768503443479,75.45913912638358,-40.32442058385569,-97.0033597847388,-2.990105718954516,3.528575383354066,1.540768503443479,-75.45913912638358,0.0,0.0,0.0,4.0,1.75,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0242,21.511076358007227,21.69915234332915,21.84696367789601,21.96509553177889,22.060903772639225,22.13961992619989,22.205041477469283,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_4,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0009731489609554,0.0938194688814839,0.7863951779554648,2.2985679268607573,3.878735410091573,4.927651332692427,5.474479903856511,5.728691037651769,5.823800139174205,1.73181150346167,0.0461986613217,2.895255649197788e-07,5.073874744844433,1.4784305145017569,3.161623183514506,0.1632739946467381,40.32447269736243,97.00254283334178,2.989931545561689,3.527807764113543,1.5396566070027458,75.44296470532535,-40.32447269736243,-97.00254283334178,-2.989931545561689,3.526194940963346,1.5396566070027458,-75.44296470532535,0.0,0.0,0.0,4.0,1.75,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0242,21.526428365243508,21.71200203508649,21.85786989484081,21.97446372001376,22.06903483745126,22.14674165885401,22.211329355605024,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_5,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0009712396692064,0.0937986615968409,0.7862219132477053,2.297338242077607,3.876044407127521,4.9239327289005015,5.470220409355664,5.724179848810247,5.819194799024466,1.7310437206213114,0.0461804407078565,2.876520824464843e-07,5.065871145690412,1.4775719564735477,3.156337549270077,0.1632804106171414,40.32542051173193,97.00557179595764,2.990119941195675,3.529636946903945,1.5405590497249984,75.45615490951585,-40.32542051173193,-97.00557179595764,-2.990119941195675,3.528481543180904,1.5405590497249984,-75.45615490951585,0.0,0.0,0.0,4.0,1.75,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0242,21.538382624671573,21.72228639027327,21.866774138525383,21.9822261989335,22.075848429169096,22.15276176107052,22.216681350644407,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_6,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414064224400583,0.4964371848277745,1.3663273016585096,2.8096181319930675,4.184762135363774,5.0674763774595775,5.521817027678436,5.73195317324684,5.810413518031362,2.2925398288141774,0.3907230872761357,0.0202861938760569,7.651459743146516,2.011329148536218,4.995114782028169,0.282041415925836,16.25437898268462,37.42813435499962,1.705874938173068,13.572629274205765,0.9358227175597542,54.468099972555045,16.25437898268462,37.42813435499962,1.705874938173068,13.572629274205765,0.6908914793518031,54.468099972555045,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0242,3.3653118343199253,4.052942385720399,4.757734197334479,5.462607705697538,6.154607545201658,6.824679927533441,7.467102853196999,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_7,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414497987406419,0.4965734365467981,1.3670139438808686,2.810865019819606,4.186018238719546,5.068543879752291,5.522741473016087,5.732802238060434,5.811233034540264,2.29365988490034,0.3908172979563233,0.0202983852998821,7.654823144537495,2.014294098555818,4.996504616883366,0.2830136492965631,18.5874791404962,43.040422209908265,1.8800841860030533,13.3851596001329,0.9045670594806172,58.9114903461205,18.5874791404962,43.040422209908265,1.8800841860030533,13.3851596001329,0.6009221640548013,58.9114903461205,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0242,3.3634484280160075,4.051426535898895,4.756533549926658,5.461681634612407,6.15391428943938,6.824180345869463,7.466762110553456,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_8,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414197858605778,0.4964196344738471,1.3665338375064748,2.810203557929215,4.185437015309612,5.06812105663246,5.522429995215741,5.732548799814363,5.811002304806966,2.2930271229019845,0.3907130089912958,0.0202904631721582,7.651453632955801,2.01231441711013,4.995449828732033,0.283020619859834,16.22040348531666,37.34778843975587,1.7034782485159723,13.570266606611025,0.934835617403093,54.4194228363682,16.22040348531666,37.34778843975587,1.7034782485159723,13.570266606611025,0.6906661744005919,54.4194228363682,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0242,3.3652212182939176,4.05302351468441,4.757984631205674,5.463012727847468,6.155145767364212,6.825327461187762,7.467836044109932,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_9,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414065416430658,0.4964414886280752,1.3663512313834243,2.809673234211686,4.184838879194362,5.067562771121737,5.521907218540833,5.732044869919452,5.810505737749884,2.2925846302093675,0.3907255619176509,0.0202861940034514,7.651644951503262,2.011414139013318,4.99521813688447,0.2820630051024576,16.252695884046574,37.42414059235594,1.7057512189855355,13.572514443663122,0.9357911719761528,54.46529710102235,16.252695884046574,37.42414059235594,1.7057512189855355,13.572514443663122,0.6908983040921366,54.46529710102235,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0242,3.365253974971865,4.052879876589685,4.757668537399159,5.4625402390567634,6.154539402139812,6.8246120143615165,7.467035868513032,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_10,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414013127538989,0.496515836916708,1.366988437645259,2.810859431623019,4.186014533184932,5.068537729496519,5.522733445292909,5.732793238698289,5.81122365799896,2.293650324642269,0.3907565453348198,0.02028443698929,7.654778908717489,2.0143258752402136,4.996459659004403,0.2830237622609302,18.586118759857904,43.037173146487255,1.879984180505596,13.385172441306487,0.904561641507838,58.90911859869838,18.586118759857904,43.037173146487255,1.879984180505596,13.385172441306487,0.6009493450688951,58.90911859869838,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0242,3.3633014607240144,4.051268316449939,4.7563671952577335,5.461510139671489,6.153740312126656,6.824006118814799,7.466589430875804,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_11,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414199162773081,0.4964209260425661,1.366532109117378,2.81019320118595,4.185415043652317,5.068089381960208,5.522392627914324,5.732508642122396,5.810961080047976,2.293020170496776,0.39071410505277,0.0202904634072883,7.651591190994628,2.0122572079603382,4.995582940290209,0.2829933985757707,16.22335143701572,37.354835766501154,1.703698637918909,13.570254143696614,0.9348377970647564,54.424833865915446,16.22335143701572,37.354835766501154,1.703698637918909,13.570254143696614,0.6905975011147006,54.424833865915446,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0242,3.36527811041828,4.053080033728804,4.758040190233938,5.463066862157243,6.155198133516471,6.825377824597496,7.467884261524276,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_12,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1528866791027541,0.767175900378032,1.7978777393530128,3.1637067373142127,4.458848631468958,5.310464782560174,5.755375040754472,5.962617698781699,6.040230870723265,2.682222037707273,0.5935073844218925,0.0093001415310047,6.665851299491746,3.488599651837358,3.923840995168234,1.1328138195570232,1.6491894813285086,3.366564316629621,0.075172185082696,2.250566961990077,0.5929414721611312,9.749391108296466,0.8974676305015479,1.7123612943486517,-0.075172185082696,0.2960901498399794,0.5403209426032441,-9.749391108296466,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0242,6.850673892631587,7.643449639537285,8.434681543946997,9.217318825544528,9.985215304805727,10.733076610669004,11.456523258473114,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_13,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0962592427351274,0.6936078652958593,2.065225741540064,3.8305066297196273,5.266057725972641,6.1226305807321335,6.55019258914613,6.745429476829309,6.8179536021768765,3.240866350446688,0.5003203301283149,0.0033256520830973,10.18292273355869,4.800385775132352,6.272330020771458,1.5265846029922816,3.133306106972953,7.336442823218361,0.2502465683233613,1.2156464496828552,0.1776227918666827,8.300122757845246,2.468168019306678,5.872771874128163,0.1172189507901063,-0.7586895909917721,0.0257230102508494,0.0290956753933529,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,7.865640236503383,8.672359835087086,9.469751015797907,10.25231813569199,11.014611205845576,11.751802290519176,12.460008723051988,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_14,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216264159096657,0.8993084962287452,2.1134715002970226,3.692094217456286,5.067315652663858,5.923683206268051,6.3596097684706905,6.560352445583832,6.635177492990701,3.1516338530869192,0.7067838689303699,0.0233099812430544,9.195015764875796,4.803578781499933,5.397908036599664,1.6246920561959484,5.51814295840899,12.893044138308568,0.5303872405970765,3.4243490115524,0.2526324576649313,18.19764463414419,3.184688617266288,7.758156520998313,0.0636963723685361,-3.0386880173957,-0.0810133152651999,-4.731749406923634,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,9.330236617308737,10.144582500497698,10.92770490499746,11.67665318863302,12.38957276214967,13.06547229209553,13.704067891016525,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_15,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1188506271799049,0.7332947040903748,1.963846641168548,3.613790273997023,5.071107905228989,5.979976584865319,6.442147248825281,6.6547997610263145,6.734032030869932,3.044600351568854,0.5464143066963225,0.0049912599878058,9.463645103886048,4.331950987324469,5.90992876106584,1.3609038316780129,5.656279463069067,13.32559260364044,0.3790756070426452,0.8727411306266162,0.3157146663122751,11.193207516599964,5.529340512384933,13.046256841834568,0.3536878169058185,0.0541909095488922,0.0967700915658261,5.416096759565216,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,7.468551297870682,8.332395103471397,9.175579817637644,9.994595638811148,10.786059895679688,11.546900874471785,12.274600107483971,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_16,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1529138713981915,0.7672029120339215,1.7976537426366814,3.162932958664444,4.457655273920406,5.309098105889328,5.753951276066339,5.9611750081817405,6.038782326391487,2.681641567694758,0.5935456167857914,0.0093039922455109,6.664607892276044,3.486395191188054,3.924990692339204,1.1326259160297818,1.6474442868066408,3.3630390409109747,0.0751287839285262,2.248474558234851,0.5922462377629687,9.739797112603732,0.8961564475213788,1.7097910835961114,-0.0751287839285262,0.295126176093169,0.5396560890130003,-9.739797112603732,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0242,6.846327133963749,7.639561872766286,8.431102159991513,9.213958876602389,9.982021988448585,10.73001861401412,11.45358210964602,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_17,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.096269040874077,0.6936477093511663,2.065290800536132,3.830599130867905,5.266278823507778,6.122992136004019,6.550642345773405,6.74592340333318,6.818464546397878,3.2409393182835142,0.5003515586347489,0.0033265297248672,10.184466051319689,4.800468373856715,6.273481861276488,1.526665372402907,3.12959548252376,7.328740182933379,0.2506066370670776,1.2179991869649585,0.1759034072453552,8.298816760159177,2.459364764397713,5.853862635699671,0.1165604934418681,-0.7693787671687277,0.0237326795639675,0.0236381980435951,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,7.849449871371915,8.657691038102795,9.456528724751324,10.240424528046931,11.003913766988406,11.742169173450089,12.451316463609922,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_18,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163200247692247,0.899404003472976,2.113650034032668,3.692639389173714,5.068252250399407,5.924845190808758,6.3608764998850775,6.561664866647088,6.636506520036793,3.1520320640896866,0.7068746070846413,0.023323209932123,9.198529485016316,4.804724704057314,5.40015874521567,1.624949553491588,5.584629698358469,13.052751578141406,0.5359986335111685,3.434967010994108,0.2524824705093199,18.324282808864943,3.242292623615712,7.898317043642076,0.0675312185626168,-3.05746261805292,-0.0844930156504914,-4.644272828525811,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,9.313432706957602,10.128727625731928,10.912791808530867,11.662649267387412,12.376431902349296,13.05314250021598,13.69249580112304,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_19,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1188509847462765,0.733316931085821,1.9641287234440643,3.6146246213433617,5.072421167835576,5.981553458636973,6.443845725829132,6.656551267041942,6.735802820074697,3.045237722137152,0.5464226507549227,0.004991641823718,9.468329295938767,4.333891501017708,5.912014303462386,1.3612938804081829,5.605546576551134,13.203610628894364,0.3752031210904366,0.8704592523966613,0.3155471630429431,11.112797130168325,5.480099252933317,12.92755727001253,0.3501136563668728,0.0607516926854593,0.0988417075186005,5.327716492197353,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,7.456836789569265,8.321556089641563,9.165653447102608,9.985554534489022,10.777844923684343,11.53944013106226,12.267819337534464,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_20,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.152923159018991,0.7672134273275857,1.797779990617841,3.1635430680906422,4.458654526635335,5.310212868583728,5.755076016606437,5.962292491535209,6.039895152787149,2.682067882503405,0.5935573146230059,0.0093053029016231,6.667139975465731,3.4878712125133027,3.925676763591099,1.1327282544328954,1.649472466709131,3.367112132836985,0.0751561273466126,2.2507214854820314,0.5930975089106646,9.750484880477906,0.8979111932430051,1.7132624693885554,-0.0751561273466126,0.296662174470104,0.5404882197680358,-9.750484880477906,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0242,6.849225792396998,7.64185101973087,8.433069468436894,9.215758634379489,9.983731811640142,10.73167379196159,11.455195682589345,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_21,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0962687272371785,0.6936407165553935,2.065310674192122,3.8305889224764935,5.266058870913678,6.1225495935461245,6.5500617732574,6.7452740453264655,6.81778873676941,3.2409609473003007,0.500345639101444,0.0033265144155077,10.183160397187155,4.800759894267516,6.27236858777438,1.526746088714877,3.150763387708675,7.378958980533528,0.2517809128305817,1.2164686342796702,0.1770011866858475,8.326849330672523,2.483833348187385,5.911344748204876,0.1183949049263237,-0.7643333469802878,0.0241990161623777,0.0638025384840004,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,7.864985995934429,8.671635975978695,9.469074584529563,10.251752206876091,11.01418380321277,11.751519846463886,12.459865162848724,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_22,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2162738613131457,0.8992725849004877,2.1132440604361182,3.691774420709014,5.067044958186137,5.92347864366057,6.359446084296473,6.560208930025667,6.635041693149924,3.1513231287964034,0.706770638931981,0.0233138610193074,9.19498786238126,4.802564094945565,5.399071475921332,1.6243621246902833,5.535229965462339,12.934323902822042,0.5322948918261322,3.431958827131301,0.2519416393124634,18.24315211486716,3.1942952376416858,7.78297530564685,0.0641079462620017,-3.0520733572611523,-0.0828926052202471,-4.724687784869458,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,9.341819562293214,10.1553364104517,10.93769571688062,11.685948408475296,12.39823504092521,13.073557871050085,13.711626824596078,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_23,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.118855962035326,0.7333120798284565,1.9639698620488584,3.614114243314368,5.071655156227948,5.980682643715896,6.442938853612855,6.655631688044384,6.734879127413754,3.044848956618388,0.5464246076464462,0.0049923570458819,9.46591569317356,4.332633404132444,5.911224871628546,1.3611371582675185,5.651532493434201,13.314263285649862,0.3786711933573258,0.8715878354427673,0.31566284906144,11.18293837525958,5.525436593384396,13.036782700603466,0.3534520133473653,0.0556563575101521,0.0969608168026091,5.411854310046755,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,7.481521788542451,8.344198012190066,9.18629877446931,10.004327985265007,10.794904334859584,11.554951290343777,12.281942763464292,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_24,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1528902471504904,0.7671836084772222,1.7978826837767958,3.1637068253479863,4.458846674322187,5.310461859121863,5.755371568642524,5.962613947107026,6.040227009611511,2.6822234285428816,0.5935146288870783,0.0093005489295074,6.665818138977476,3.4886139571424697,3.9238224931189927,1.1328398824169128,1.6494028200892896,3.3670571940355414,0.0752375629629844,2.251303323793165,0.5929138243841382,9.751765359706138,0.8970271904594455,1.711415497502328,-0.0752375629629844,0.2951266867555701,0.5402475303100491,-9.751765359706138,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0242,6.850641035952864,7.643422094609337,8.434659287843617,9.217301329505494,9.985201877013608,10.733066559307678,11.456515960351124,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_25,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0962634591347155,0.6936194456461724,2.0652340222559946,3.830507748696788,5.266055352571772,6.122627020917666,6.550188632932188,6.745425376670156,6.8179494540286365,3.2408695490617845,0.5003308978714193,0.0033259796139341,10.182901977195373,4.800399227113981,6.272328451816976,1.5265915435643205,3.133846667985843,7.337731813386026,0.2502618028695327,1.2153864670917909,0.1776588683718718,8.300218865792317,2.468988619220351,5.874677104459023,0.1172901931164342,-0.7582791236891344,0.0257538994423101,0.0309597098896036,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,7.865618898902435,8.672345483405671,9.469742371164232,10.252314202144078,11.014611166702377,11.751805455814704,12.460014502132903,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_26,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2162678992079053,0.8993199740003689,2.113491533135332,3.6921296086356894,5.0673662315935095,5.9237425219518425,6.359673146510682,6.560417594851838,6.635243285773245,3.151663439755493,0.7067936825843391,0.0233102740350971,9.195156126839017,4.803661104349976,5.39798217724076,1.624719286153843,5.5092255790400815,12.871740274213568,0.5297877686897087,3.4243455080424363,0.252402706982923,18.18433938549312,3.1753395580095485,7.735902722862786,0.063010564483602,-3.0389570354191555,-0.0809048366655632,-4.747577166898079,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,9.330155950733278,10.144502044036605,10.92762607121974,11.676576886630013,12.389499540888185,13.065402446867113,13.704001541701995,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_27,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1188546907285505,0.733304265605658,1.963855607119001,3.613792814453349,5.071099970174186,5.979960737755087,6.442127144298934,6.6547776615891925,6.734009183461848,3.044605860091391,0.5464231900073431,0.004991655953548,9.463638630765976,4.331975775156469,5.909917754942054,1.3609137778991076,5.655815845048116,13.324449355327063,0.3790659674261588,0.8731865002918682,0.3157144838061114,11.193809026866337,5.5285110539891145,13.044308542752596,0.3536050092143585,0.0537467257781192,0.096770801795033,5.413399776985388,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,7.468596676430705,8.332432083007076,9.175609552195183,9.994619084200156,10.786077891448768,11.546914176255555,12.274609397638429,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_28,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.152876514903801,0.7671516631173971,1.7976438516778004,3.1629699372947724,4.457716720548941,5.309169352772562,5.754026333753395,5.961251595898258,6.038859450966301,2.681665015860665,0.5934918863246675,0.0092978395523216,6.664909147417943,3.4864036919321904,3.925169067327575,1.1325866157189348,1.6475658310363734,3.3633172816236425,0.0751635449668296,2.248874190771011,0.5922351479983807,9.741100054518462,0.8959303813680773,1.7093043895851736,-0.0751635449668296,0.29462202163344,0.5396206665216,-9.741100054518462,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0242,6.846391349424888,7.639625795029078,8.431163776862332,9.214016961918157,9.982075913146067,10.730068161394914,11.453627327717829,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_29,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0962696680626901,0.6936584474016972,2.0652995904024394,3.830597457843796,5.266267332454156,6.122974327148972,6.550621294819588,6.7459008588124725,6.818441445481912,3.240941361409125,0.5003603686701065,0.0033261618179458,10.184378568432653,4.800504986751067,6.273363031231199,1.52669030059106,3.129782656232905,7.329154325946061,0.2506145032621376,1.218094574949784,0.1759424457418908,8.299421632488452,2.459545798946008,5.854263269169665,0.1165671318047582,-0.769309010707412,0.0237671303459646,0.0233620956945191,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,7.849602072028125,8.657838561260405,9.456672540063142,10.240564998397913,11.004050897943335,11.742302791921084,12.451446333940304,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_30,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2162878219397921,0.8993881285976225,2.113667415809328,3.692678420376336,5.068306124639854,5.924908475905354,6.360944692082099,6.561735343890744,6.636577852846188,3.152064848121173,0.7068519709722331,0.0233105756179523,9.198727721874544,4.804773852912015,5.400285868850639,1.624971532558506,5.579107880810696,13.039565981334734,0.5356432130174754,3.435138825902889,0.2523197070189925,18.31651020615897,3.236323293939511,7.884146673126174,0.0670862956432381,-3.057920772402669,-0.0844576732113948,-4.654641343182799,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,9.313030389010647,10.128346314794292,10.91243096722265,11.662308193519458,12.376109776590209,13.052838427245788,13.692208843337898,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_31,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1188573145155839,0.7333380331173655,1.964140002868292,3.6146231525448855,5.0724227218994775,5.981561241765505,6.4438574334897245,6.656564899183981,6.735817184899301,3.045238527542647,0.5464418405475796,0.0049917502910418,9.468363667829106,4.333857535163919,5.912081488869052,1.3612628577807464,5.60580396047113,13.204232282581676,0.3752277676833382,0.8705219569970707,0.315540759112737,11.113340198553129,5.480293851578731,12.92804076143829,0.3501257459048585,0.0606266648180374,0.0988203775949861,5.328006109446002,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,7.456577543176242,8.32132122645218,9.165439447420244,9.985358471503693,10.7776643803488,11.539273121584117,12.267664231658912,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_32,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1529456210779015,0.7672666177650115,1.7978303096928363,3.163568732274711,4.458657816539271,5.310202855050164,5.755059429068057,5.962272919613587,6.039874475191385,2.682102476139246,0.5936060322059528,0.0093078841673124,6.667143415740687,3.4879537404279,3.9256915939214334,1.1327700621074672,1.6492939994752334,3.3667183350618286,0.0751193947763813,2.250249157686284,0.5930869645607638,9.748857892903796,0.8981000517114198,1.7136769909222729,-0.0751193947763813,0.2971448935003688,0.5405033882172969,-9.748857892903796,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0242,6.849069383834116,7.641711629499096,8.432947728593055,9.215653750306943,9.98364230472176,10.731597928996871,11.45513171275362,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_33,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0962577920258677,0.6936154677867091,2.065287567943074,3.830568683597396,5.266037117321988,6.122525341020292,6.5500358895355415,6.745247340893946,6.81776171606094,3.240940290662862,0.500321879341025,0.0033256323850852,10.183127284173429,4.800677694543878,6.272368193889727,1.526695156079916,3.1504858414380257,7.378320140726762,0.2517628227838006,1.2163613662280777,0.1769716686492372,8.326094012693776,2.4835890467939348,5.910779065479119,0.1183834638549824,-0.7643344909390808,0.0241802908543664,0.0638884844519706,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,7.86500503228488,8.671652530630942,9.46909096652516,10.251769372649791,11.014202019686186,11.751539050135088,12.459885150126132,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_34,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2162942439790772,0.8993305001031021,2.113305686102044,3.691810577600276,5.067057550659717,5.923477954893416,6.359439097605902,6.560199146032067,6.635030882767175,3.151368841747528,0.7068219745209336,0.0233154730737335,9.194986624082764,4.802709545767887,5.399071458852703,1.6244448886385705,5.538946626251978,12.943233639779692,0.5325980774156857,3.4325024976191445,0.2519594337022308,18.250128943830163,3.197604327700583,7.790988162017825,0.0643296177054066,-3.0529392753618763,-0.0830537997977464,-4.719767854418734,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,9.341880067651626,10.155394970220264,10.937753387225676,11.68600574361414,12.39829225975454,13.073614980922118,13.711683710140836,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_35,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.118893242236444,0.7334265477484821,1.964123346929509,3.614253716402625,5.07176897938116,5.980779759690848,6.443027604661802,6.655716638867971,6.734962671074524,3.0449965765010023,0.5465234450788027,0.0049951369787591,9.466189084062467,4.333079556740286,5.911325480346857,1.3613502712373438,5.651997567161343,13.315426219749645,0.3786966710271209,0.87126848349628,0.3156335744418803,11.182654142596476,5.526110131209834,13.03840437079168,0.3535191838368194,0.0558172467797322,0.0969195755309452,5.41423856765284,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0242,7.481523100740798,8.344211867577087,9.186321492537832,10.004357055000826,10.794937964778876,11.554988152814497,12.281981846172746,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_36,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637494473227233,0.3402581807710262,1.1580180730582783,2.706637986504084,4.281143334111349,5.318292232806138,5.857634971787733,6.108136038766279,6.201824526925985,2.1347277249204875,0.2513730004071755,0.0041910816144404,6.47151744705407,1.9196850033485435,4.080689836523603,0.3822187369986872,13.17051471267716,31.35285364186383,0.943276285893548,2.4937308060621795,0.92599076992455,28.799152036066967,11.126810879007328,27.210747258517376,0.8790231334827887,-2.4937308060621795,-0.92599076992455,26.550291701690394,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,15.256814772730744,16.000434020768644,16.66840363185801,17.271054742848534,17.81657084261968,18.31160965780028,18.76172435133765,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_37,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664137477458049,0.3640716146137945,1.1893142505108103,2.528430696598518,3.799991875046698,4.622880088683046,5.049132604484448,5.246934660661546,5.320897666877396,2.0510959960527213,0.266675340616491,0.0045067312088247,5.723162019013972,1.721634732536251,3.638669663453309,0.2728462671971705,8.417171173133553,19.34122921806296,0.7611280110976358,6.666684823994773,0.956411212647787,26.145517975230703,2.0355094107596043,5.8527622664888925,0.022823032694351,-6.666684823994773,-0.956411212647787,0.3048437311157346,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,15.152167349493949,15.884652687279262,16.548649699184857,17.15112080250029,17.69846532197271,18.196398656590315,18.649971997183723,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_38,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0468467852296378,0.3217514307309446,1.1989969361613984,2.737419108632233,4.235074161624085,5.207274860351712,5.710490972172773,5.943835287419192,6.031055838957321,2.181031423749486,0.2266861673376764,0.002235442567825,6.676084377480433,2.027989505187121,4.284187202254202,0.3988681904408416,14.15751536776786,33.568085951283216,1.103527065301393,4.401320256680167,1.0019395698961624,32.99927318405833,10.621700143563928,26.157009403524683,0.7549140980484907,-4.401320256680167,-1.0019395698961624,20.79781933020674,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,14.652807115940185,15.615931861479924,16.46098758202818,17.204401400599764,17.860342008102485,18.44086986535397,18.9562087901823,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_39,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637706093428237,0.3403457518578434,1.1584902271736808,2.707886247889953,4.2830819327869465,5.320603953993675,5.860113444489393,6.110685613234625,6.204399665183097,2.135695413718483,0.2514325145035214,0.0041938673297615,6.474234696107827,1.920998743321673,4.082668606003181,0.3830627591466374,13.130460251152629,31.25977428154128,0.9389911055482656,2.458282874712053,0.9229580329912824,28.67795194008218,11.11501470994964,27.17885156245391,0.8794195165344045,-2.458282874712053,-0.9229580329912824,26.59294632459704,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,15.09832496408514,15.866890870678166,16.55447344820817,17.17278616519999,17.73098504203552,18.23642499421421,18.695167665465164,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_40,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664225875531055,0.3641460946837428,1.190140325850253,2.530839323444737,3.8038700305868782,4.627688239261545,5.054419458624008,5.25244333942626,5.326489265114042,2.052939005779418,0.2667128999106311,0.0045079338666205,5.727901011723616,1.7237245350483603,3.643178346890703,0.2744392059155746,8.504025979112662,19.551020147370508,0.7680590524189924,6.67863576439357,0.9594172047496824,26.314742539618884,2.122457532982048,6.061886796996255,0.0289272109881108,-6.67863576439357,-0.9594172047496824,0.4451280895380246,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,15.1423088626877,15.878792298538585,16.545453341069848,17.14971960443252,17.69828264054061,18.197045075768703,18.65118043090263,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_41,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0468651203099011,0.3218418260731958,1.1994926965422197,2.738635799218704,4.236681961357137,5.208965055933701,5.712176330281976,5.945508236623441,6.032722559563071,2.182018050608453,0.2267484085738882,0.002237152412825,6.681486157616538,2.0304794277560805,4.2863949671089525,0.3990798904189422,14.131298067547135,33.50572870326334,1.101254272830232,4.391152062468004,1.000482070885269,32.93779062270301,10.60227551608085,26.109356369619373,0.753763745941867,-4.391152062468004,-1.000482070885269,20.775622181610228,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,14.67096552758889,15.633653913505368,16.477748410338283,17.219973335961893,17.87466403801043,18.45397061305682,18.968161783764867,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_42,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0638116608847801,0.3404700767157361,1.1592020750518774,2.709619027902625,4.285333333626083,5.322995201667389,5.862531511372326,6.113107228603416,6.206821274780029,2.137116302417106,0.2515265656592776,0.0041992315427459,6.4793164844994,1.9245076340994525,4.084214836098017,0.383689396833003,13.110674591006116,31.21269824152208,0.9374522813205588,2.4528982795370378,0.9216798603683456,28.63333734556237,11.099184825038616,27.140083810376385,0.8782871748827963,-2.4528982795370378,-0.9216798603683456,26.562558620240683,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,15.802763178142026,16.484392958431496,17.099264387865176,17.656329286834918,18.162575724417003,18.623651135166902,19.04426583128616,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_43,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.066393079350229,0.3640045163711014,1.189382608268429,2.529017175058153,3.80106068498116,4.62421982774112,5.050599276176964,5.248457234453516,5.322440666987179,2.0514890707990583,0.2666187950917679,0.004504012856302,5.724358375885928,1.7216624109922585,3.640310253107821,0.2734397278200499,8.449850611761079,19.41926925112044,0.7636705415384943,6.67432357347642,0.958301381208536,26.21664060526708,2.063337882362408,5.920563844380462,0.024818595520767,-6.67432357347642,-0.958301381208536,0.3568224946466181,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,14.793846802333498,15.566930029866835,16.265194770016063,16.896865980447384,17.469286216487763,17.988899081813738,18.461329639791405,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_44,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0468810087508335,0.3218947603493804,1.1997287754583077,2.73917083878718,4.237474568271216,5.209944378552428,5.7132625406262605,5.946646665505785,6.033880953003113,2.1824547177629787,0.2267896538849086,0.002238643585346,6.6800899902008375,2.030668194954768,4.285909922803478,0.4000326318580399,14.17005329826802,33.599623272498135,1.1040010099712243,4.390877431377803,1.0019786133010462,33.007525799798074,10.644858630611992,26.21151080056208,0.7571173846947767,-4.390877431377803,-1.0019786133010462,20.86659891512241,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,14.656191529369282,15.618358516304008,16.462489465116768,17.205085816677535,17.860340209872522,18.44031201977537,18.95521268764437,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_45,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637662103502825,0.3402937814897371,1.158058200163653,2.706675578720476,4.2811730416441,5.318315216077385,5.857654204634594,6.108153492703469,6.201841310952839,2.1347670337746334,0.2514059285640278,0.0041932763355013,6.471568585173645,1.919749000319536,4.080720507084625,0.3822621009849116,13.17030232268198,31.3523897046846,0.943249949573716,2.493366217656408,0.9259557999871054,28.79820902012545,11.126945279471755,27.21102321831053,0.879043620587814,-2.493366217656408,-0.9259557999871054,26.550987505618885,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,15.25915853235906,16.002480979784725,16.670205036346307,17.272650471864228,17.817992549239623,18.31288287791601,18.76286996043797,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_46,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664004309846531,0.3640371350738988,1.1892484479160708,2.528326175656918,3.799861949696645,4.622738995767769,5.048987138869332,5.246787465151852,5.32074987116328,2.0510038523815743,0.2666458864099428,0.004504945132906,5.72298911993929,1.721469202773119,3.638570259512897,0.2727670780387043,8.415468906461179,19.33706227392199,0.7609772134450196,6.666507402187279,0.956411000109646,26.14256013490998,2.033570042650896,5.848151814733355,0.0227007077383861,-6.666507402187279,-0.956411000109646,0.3028824351778164,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,15.15192822401193,15.884393359771838,16.548384839915933,17.150859364712844,17.698212593830135,18.1961575766974,18.649744003875178,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_47,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0468513312556643,0.3217653485186621,1.199023143963691,2.737460320491456,4.235129497882602,5.207339350786056,5.710560161250785,5.943906641041965,6.03112799897043,2.181067379203636,0.2266978183988947,0.0022358744964319,6.676184535443722,2.028050460409,4.284248411308819,0.398891134904321,14.158090683151803,33.56952800882229,1.1035546357313923,4.4009366875892,1.0019389616105543,32.999751550217745,10.622697425399853,26.15935776133868,0.7550044724099818,-4.4009366875892,-1.0019389616105543,20.800495833968373,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,14.65265607691206,15.61580596419199,16.460881133094777,17.20431019274044,17.860262916400774,18.44080054633479,18.95614746500718,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_48,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637314210050508,0.3402663763957947,1.1584273688670343,2.707858693999789,4.283081590152948,5.320619480978301,5.860136857030372,6.110712624514795,6.204428013321138,2.135656276785173,0.2513572150472857,0.0041887391389431,6.474223378949823,1.920993875885476,4.082641123862564,0.3830422773350844,13.13153203007194,31.262315344712416,0.9390777579078654,2.4586559282789904,0.9230306511263092,28.68048054807944,11.115798856669224,27.180783818290955,0.8794720585977223,-2.4586559282789904,-0.9230306511263092,26.594281072224423,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,15.094897644103977,15.86385288234266,16.551766032247574,17.170360371964954,17.728800354180134,18.23444790771284,18.693370409982965,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_49,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664094254516805,0.3641138033121649,1.190097923784894,2.5307991368321243,3.803834339804378,4.627654665036831,5.054386578945386,5.252410678791543,5.326456669051127,2.0528972749121546,0.2666844270299068,0.0045061736864306,5.727947466899236,1.7236842491666184,3.643198188470421,0.2743987115228184,8.502759112925757,19.547897652508443,0.7679611891687765,6.678778851598469,0.95941795221029,26.31286702278453,2.120800586644241,6.057962055768127,0.0288057882989733,-6.678778851598469,-0.95941795221029,0.4424279923414258,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,15.143311991970709,15.879613477652294,16.546144196557883,17.150314674619416,17.698805442852244,18.197511896674367,18.651602744659115,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
RSM0242_50,RSM0242.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0468411612339514,0.3217826825355463,1.1994230937310348,2.7385689684522143,4.236614648244024,5.208894516879434,5.7121032620984,5.945433807685838,6.03264759232727,2.181950182650275,0.2266949876759063,0.0022348436086875,6.681251309203671,2.030395925741931,4.286244472491776,0.3990472341522782,14.1309641341007,33.504919817781534,1.101226422311225,4.391101171046839,1.0004735809980545,32.93714950936473,10.601934987957511,26.10853960712416,0.7537410118431414,-4.391101171046839,-1.0004735809980545,20.775160142981807,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0242,14.668111908756982,15.631096261771274,16.475451896250142,17.21790586257153,17.872797057741916,18.452279202794674,18.966624389833147,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]nbo.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cd], topology nbo"
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RSM0491_69,RSM0491.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.194268489962821,0.5960832140026364,1.5593608477986565,3.332291496620185,5.206973752002811,6.477058132525285,7.14657252229707,7.4594081142997375,7.576699757347873,2.6701598879528983,0.478492902582606,0.0376014451970412,8.45566317548132,3.657843406961416,4.848051629412152,0.8329685022688643,13.407389091474824,30.04188613695195,1.4923403194375549,8.764473256668396,1.3056767347067708,46.309897469490544,9.09626300965592,20.809018392588403,0.8764651648919973,-8.764473256668396,-1.3056767347067708,24.754267060396025,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0491,17.08102318379298,17.994614899583986,18.74998537296517,19.37911083839916,19.90707792604756,20.35349724865133,20.733732102041213,O=N(=O)c1cc(ccc1Oc1cc(cc(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Co][OH]1[Co][OH]([Co]1)[Co].cat0,"linker O=N(=O)c1cc(ccc1Oc1cc(cc(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-], nodes [Co][OH]1[Co][OH]([Co]1)[Co], topology "
RSM0221_0,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.005462914579584,0.2261499936620098,1.355549587838741,3.424142938115333,5.388863495955781,6.630541320075213,7.263234039434016,7.554406447158958,7.662891506813817,2.679315070685228,0.1262110791230232,7.505194790248969e-06,9.216947726093384,3.576292641612632,5.329768051958058,0.5371161015115755,17.040759797740073,39.02593769677547,2.005822828248582,8.982531515254257,1.8827796929717595,73.20379898870036,-17.040759797740073,-39.02593769677547,-2.005822828248582,8.912657576271279,1.8827796929717595,-73.20379898870036,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM0221,19.36383502266449,19.91022809018104,20.34973341503209,20.707486895672304,21.00195694978235,21.24685103152543,21.452458577131708,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_1,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0027631428185256,0.1610190399534155,1.1285947900740685,3.0203211646266235,4.866350661755597,6.050270796667244,6.658008244631746,6.938649271667973,7.043360001801979,2.3312065303200056,0.0849735102195277,2.2411691158470182e-06,7.650719903801457,2.5916889262269067,4.6984904628748,0.3750223622247159,17.25220244658291,39.47754644358252,2.0348410725792183,8.887161843733969,1.8430969223566416,74.17786284763078,-17.25220244658291,-39.47754644358252,-2.0348410725792183,8.469068972783349,1.8430969223566416,-74.17786284763078,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM0221,20.638616346042703,20.99870546345653,21.28492787410336,21.51568293223993,21.70412626344111,21.859816624096435,21.98980781716552,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_2,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0059822342196446,0.2379649377062003,1.4111864478711786,3.53023515265647,5.519937801760564,6.770847796518295,7.406983967723792,7.699520121954117,7.808481923908643,2.7709093935393896,0.1333709878930346,9.292152600586932e-06,9.730156802158652,3.843090514080693,5.537092743595243,0.5796919846268858,17.065058921264228,39.0779776022537,2.0092941316091752,8.972117605172473,1.8784752768046225,73.32529460632115,-17.065058921264228,-39.0779776022537,-2.0092941316091752,8.860588025862368,1.8784752768046225,-73.32529460632115,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM0221,19.15039730860304,19.715864135705644,20.1723334681474,20.545016900062134,20.852561875368057,21.108888097035283,21.324496119419987,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_3,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0051508861081465,0.2395390842913211,1.483872379889359,3.782612897760657,5.964985361892982,7.342681234472298,8.044230211281883,8.366991766759888,8.487230548530528,2.9546491494403813,0.1318182940455218,5.356508861170653e-06,11.185173862484634,4.432402119197633,6.222859547906385,0.6213713056338047,17.19784283072333,39.36235255472508,2.028263261531904,8.915210215404288,1.8549535557004384,73.98921415361664,-17.19784283072333,-39.36235255472508,-2.028263261531904,8.576051077021434,1.8549535557004384,-73.98921415361664,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM0221,19.183232233696607,19.76708890417984,20.233634916297696,20.61133770803737,20.92083117089377,21.177257007350143,21.391873022135503,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_4,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1365012248637255,0.502800336692373,1.384168746682636,2.88195539844988,4.4065539890423535,5.435550967855671,5.979416219974016,6.234064509593199,6.329635685245197,2.3342758883334964,0.3929983201462197,0.0186857349475824,6.980992215134076,2.2624344691223777,4.2295804801456445,0.3381276303666802,5.482979474166699,11.840451687693578,0.8606542640403269,12.112082772968762,0.7993358772724245,32.94067146064104,5.482979474166699,11.840451687693578,0.8606542640403269,12.112082772968762,0.791408018758693,32.94067146064104,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0221,4.598390417516847,4.971391976491911,5.38801143081483,5.838838069571672,6.313489719971619,6.802204830390049,7.296657891425553,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_5,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.134529386686612,0.522851805096281,1.4904389619600271,3.1657710053092387,4.86521917053892,5.9961810840166,6.588106754176144,6.863883432663354,6.967160971651126,2.551345747729129,0.4036972493722985,0.0179484800229284,7.839680525878232,2.726423551221968,4.920235093690978,0.569573506702638,6.20072346431872,13.374851202604036,0.9519070717006533,13.434326690373975,0.9344680156126856,35.79344341783069,6.20072346431872,13.374851202604036,0.9519070717006533,13.434326690373975,0.9226549358075676,35.79344341783069,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0221,4.661860439732736,5.083566634404931,5.5427597522827945,6.029449080577298,6.533288411910704,7.044988387921175,7.5569523557330465,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_6,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1348852149086613,0.4846380058596099,1.256083005241435,2.624624363847668,4.090530400983615,5.099702256233639,5.636596833792664,5.88856337411764,5.983208325104625,2.1130474704652333,0.3834732135246803,0.0182712679143518,6.20178959139027,1.7301409369155554,4.024445049255943,0.3173628006027912,5.6188199424231735,12.11450481865878,0.8807439951282666,12.656924828697765,0.8481568748394653,33.56134297889918,5.6188199424231735,12.11450481865878,0.8807439951282666,12.656924828697765,0.8479139891923938,33.56134297889918,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0221,4.38543645678346,4.831013564500838,5.311950474993294,5.81907858121702,6.34228835018527,6.872243993182607,7.401202276401286,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_7,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1347603211193263,0.4925931960206043,1.3071887952078582,2.7147546504805087,4.196914564512654,5.213596708654037,5.75434460079288,6.008160159248737,6.103510457896873,2.193183645125033,0.3871932190213825,0.0182264967363981,6.382539896606608,1.900014446497252,3.953271471889548,0.2949691419936097,5.895779789394065,12.697722502992624,0.9025546040457412,12.990029661096749,0.9180975150821744,33.754003462230095,5.895779789394065,12.697722502992624,0.9025546040457412,12.990029661096749,0.9141917282045025,33.754003462230095,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0221,4.73694679654309,5.114334013781704,5.537352932890445,5.995147277858071,6.476410374095157,6.970872882120571,7.470001767244277,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_8,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1665036782706879,0.6175582618674533,1.626085151404892,3.236379338057114,4.8023479970826415,5.823208223990455,6.352476922924216,6.598037004877015,6.6898409780392845,2.656498047894124,0.4828715000866672,0.0254554821313647,7.431430199445249,3.028228591404172,4.806031365345782,1.160739827538478,6.229615140071306,13.482068674785138,0.9831830558946004,13.46827220852255,0.8629703526913077,37.94336994599646,6.229615140071306,13.482068674785138,0.9831830558946004,13.46827220852255,0.8435691719218499,37.94336994599646,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0221,2.547976551816123,3.1000158331190177,3.706348478715444,4.350654382177765,5.018412021702551,5.6976376448862345,6.37891322427187,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_9,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1353789431320265,0.4865599803164879,1.267424612058559,2.708722737497507,4.309033135135082,5.4284407223041935,6.027659328461987,6.309557999093613,6.415546444566573,2.1618909605619865,0.3848045427490026,0.0184073169188761,7.135233856031431,1.9946388387999392,4.295682302656161,0.1799764903094029,5.467564602622343,11.77636225854301,0.8455559570844435,12.227093412952676,0.8471329353443089,31.853202059804428,5.467564602622343,11.77636225854301,0.8455559570844435,12.227093412952676,0.8469806853383854,31.853202059804428,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0221,4.781867139284348,5.167899424591531,5.598102551714654,6.061744463170144,6.547594983356774,7.0454560648390565,7.546876741721062,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_10,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1366330398886729,0.5077486972051105,1.394256326771955,2.897028480907718,4.456715427707735,5.5277874441480535,6.099134541454164,6.3677820232362485,6.46878462957531,2.344976001466638,0.3961101517986945,0.0186890389189291,6.8746965411741705,2.30938945154806,4.074998157888744,0.3463273992222488,6.119694747881178,13.181381863632836,0.9242959765879938,13.18048070864746,0.9552228243764114,34.24520827258411,6.119694747881178,13.181381863632836,0.9242959765879938,13.18048070864746,0.944897671816436,34.24520827258411,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0221,4.69822762449898,5.056497705795021,5.460917493030663,5.901205049921403,6.366536942164675,6.846937132321702,7.333972361250417,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_11,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1358453145173393,0.4979848002919813,1.329139252804432,2.703136607866932,4.077017525252537,4.992093267783532,5.472206663619919,5.696222420406315,5.780172678392776,2.203790315941495,0.3906677157251413,0.0185024479240563,6.191479683383203,1.9269998386889948,3.783404977411055,0.2766194497674973,6.461654118654541,13.921177729888726,0.9864279187401034,14.107792271339852,1.0001579900725657,36.84680594592119,6.461654118654541,13.921177729888726,0.9864279187401034,14.107792271339852,0.9925658292057518,36.84680594592119,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0221,4.650022408270375,5.028791171416287,5.451031330077062,5.906803714083379,6.385482842418427,6.877254054830118,7.373852741434088,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_12,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1365136252335538,0.4958596461327155,1.3805805178183044,3.03594063775237,4.761619354214043,5.918670719843841,6.525896651157082,6.80912024564808,6.915235106681779,2.419754538553809,0.3899165837903896,0.0186500182691729,7.988941721864196,2.317328003732491,5.151817649394783,0.443009867112601,5.753789315145437,12.395848563965032,0.8930842991869404,12.89846370864096,0.8859031842642059,33.746954367358654,5.753789315145437,12.395848563965032,0.8930842991869404,12.89846370864096,0.8859031842642059,33.746954367358654,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0221,4.42106861622578,4.832114929818058,5.283337480554636,5.765129246357101,6.267004393284455,6.7792417887385765,7.293688232781559,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_13,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1069228568247595,0.5592313640970284,1.4958367666840091,2.830025697227674,4.148307828713713,5.039751370798075,5.512234709458535,5.733778884637358,5.816977082945838,2.352795874591983,0.4198422286352278,0.0088418695259713,5.940864076512175,2.187814831487437,3.84635379881345,0.7321937953571521,6.280667454655692,13.51158027462095,0.9560830025202176,13.929331474817433,1.0022413875963756,35.52247290313675,6.280667454655692,13.51158027462095,0.9560830025202176,13.929331474817433,1.0022413875963756,35.52247290313675,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0221,4.109939878527976,4.760538049103364,5.447066614918962,6.154701014780451,6.870806207569724,7.585416396112125,8.291027400906701,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_14,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1353172171731884,0.4988311851658058,1.3664430151930027,2.960107877236744,4.701261512717568,5.9097153086620615,6.5543582080121965,6.857165957649896,6.97094461465736,2.35941023682042,0.3905776487651238,0.0183580362268021,7.807912880134105,2.486262031638073,4.677559185909624,0.3144060217583962,5.428510928380043,11.712917330290242,0.8589636931321991,12.286566465915955,0.8036983931935556,32.99075559486301,5.428510928380043,11.712917330290242,0.8589636931321991,12.286566465915955,0.8032757691512179,32.99075559486301,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0221,4.61857884979835,5.018751188132173,5.460586090792361,5.934037430282704,6.428358397803974,6.933688465083627,7.441810825182908,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_15,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1356083207729398,0.4969842814357804,1.364414413492497,2.870266354605774,4.39378236438062,5.4091209514111,5.941609111679528,6.189997106131671,6.28307016690935,2.318773818179858,0.3895151502903803,0.0184530275339019,6.957500503802108,2.279814438279573,4.161481724132512,0.329763163130582,6.222763655580565,13.413316929254597,0.9512131360138144,13.518275281503833,0.952652287161382,35.60575558400157,6.222763655580565,13.413316929254597,0.9512131360138144,13.518275281503833,0.9429272514270148,35.60575558400157,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0221,4.643977673081662,5.024381639312503,5.447662302867102,5.904054448472251,6.383054182265184,6.874934472726602,7.371494658122272,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_16,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2690725518911175,0.9811587154632406,1.8893045471224468,3.13696443482456,4.494353347721925,5.454426519974892,5.97192185311723,6.216154048192614,6.30810278624453,2.673906479485569,0.8025611025310229,0.0281247796254204,5.912394099033931,3.591031846063309,3.14644946247828,1.1230204133898796,3.131613914175571,6.648349607284832,0.3906997968485102,6.257212288963653,0.6610060727171724,23.472065507848065,-0.7753840543095313,-1.949202586260997,-0.3906997968485102,-3.900982429097613,0.3875162149232154,-23.472065507848065,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0221,9.815166459528228,10.297340598370488,10.79453399853756,11.305098936056911,11.824565837762112,12.347339412937668,12.867769733399932,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_17,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2679175963374907,0.9831411504936526,1.911631065704391,3.1655155623831286,4.500350829826946,5.437389162182871,5.941343862569619,6.1790142211656445,6.268470152113439,2.7046263905926686,0.8028075807400897,0.0276190019986878,5.947597494137603,3.588928730001052,3.3787524214583247,1.1794905474987616,2.797660622348492,5.869828044137589,0.2815817324340917,5.050314481821227,0.7169932286311573,19.619937760424293,-0.0181567019924241,-0.3265244005754642,-0.2815817324340917,-2.2708105614651566,0.5198860159272933,-19.619937760424293,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0221,9.769453943302958,10.303909676811283,10.848434632761276,11.39974407746558,11.95282312515935,12.50226012605378,13.043011809724172,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_18,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2657635279578277,0.9741289258528502,1.83285350220341,2.947086455330584,4.199422968536009,5.112684695618673,5.6126461084140695,5.850259962400617,5.939977000585435,2.531559084074351,0.7968428375052605,0.0274608814201327,4.764596069986178,3.242860933861603,2.448012664997776,1.0676290228164025,2.9066659970922006,6.138161049230232,0.3309877866649228,5.554568290411582,0.6728642687092988,21.15308571875946,-0.4032118695570281,-1.145397309980462,-0.3309877866649228,-3.0511141628764102,0.441172818043853,-21.15308571875946,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0221,9.701047111953708,10.20007000355802,10.713463785539496,11.23880625521898,11.77128091502509,12.305218594735273,12.83505492040673,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_19,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2672332391412163,0.977218446344042,1.8816417426168524,3.148856146014987,4.518192014935082,5.4747377890195965,5.986697456142473,6.227525238186551,6.3180678980966105,2.6777743461200623,0.7994519904316713,0.0276426601961024,5.737640288198455,3.61936530902054,3.004961896927722,1.12532458625433,3.3272487105091644,7.0918340301446365,0.4424162368363882,6.866578605200269,0.6510952321083501,25.484568289273582,-1.0969136578547174,-2.6437653178832408,-0.4424162368363882,-4.636243552545823,0.3414038663228788,-25.484568289273582,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0221,9.93951874707615,10.401737265235496,10.885881396279036,11.387889159105445,11.901656853029584,12.42050273695521,12.938067690317885,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_20,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1579514157480856,0.7181101270550077,1.5576092628475986,2.7303671413195456,4.040786117007066,4.9882232038432175,5.504551781863236,5.749433385622574,5.841813782510372,2.292415717657036,0.5645993427450248,0.0118444700103284,4.936202877490878,2.5286177499423474,3.1917430014738426,0.8821525800731042,2.6823146178354134,5.596294653225792,0.2393968003663749,4.597489020766411,0.744761004249806,18.199509096504563,0.2883466141716646,0.3282435748275229,-0.2393968003663749,-1.626827788759334,0.5771832439933439,-18.199509096504563,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0221,10.887676401302691,11.505491578915205,12.0782585137594,12.617635165000756,13.131154212948354,13.6233330797129,14.096621964467072,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_21,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2687429602791277,0.9832901572639,1.9371013049688208,3.3337314080301086,4.848679305391623,5.905475702422966,6.470554490568292,6.736247935731105,6.83611975518278,2.8126056559194783,0.8032457694852795,0.027942296510181,6.809327222961692,4.17064555519445,3.528147057441438,1.1829096090806022,3.2927552829356626,7.011187706609237,0.4309184276452208,6.740102704097428,0.6573040490715807,25.082144967582725,-1.0164289935165456,-2.471396371306222,-0.4309184276452208,-4.463776414678312,0.3556611497199264,-25.082144967582725,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0221,9.85854416169628,10.336176170233172,10.833115977667688,11.34571570910972,11.868257012328764,12.394394470232944,12.918050476768643,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_22,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2690337323169266,0.981665194281376,1.8980732568870875,3.1514232438687984,4.511444900510004,5.4789157368113806,6.002916537575551,6.250855214178125,6.344305524636525,2.6877319833132294,0.802685581647737,0.0281195005079422,5.656368289273312,3.658051386490016,2.860723004125362,1.1397133105917856,2.950359522682048,6.210659571221082,0.3167865075606826,5.4846515831675084,0.7189352859172315,21.087527764623896,-0.2175055529247779,-0.7603922566356707,-0.3167865075606826,-2.751797613410239,0.4971847306247539,-21.087527764623896,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0221,9.932164514678666,10.39131337889652,10.871583468538152,11.369438211603478,11.879145006681645,12.394258120562323,12.90854927287113,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_23,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.268997209181657,0.9808665564994848,1.8830216474384112,3.1038892524713164,4.403560946556958,5.309024096079224,5.793422316116117,6.021263845560898,6.106922172743681,2.65389084912896,0.8024963512237085,0.0280435749205348,5.453848185304159,3.5503093778714145,2.802121046332404,1.1205110703702792,3.11027616426314,6.588918276034146,0.3743310034199051,6.104924191622381,0.6822022616847746,23.0380008897138,-0.6330338699359127,-1.648430106342644,-0.3743310034199051,-3.6276818972951537,0.4201705592908412,-23.0380008897138,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0221,9.888461897166446,10.36044383673172,10.84898579414028,11.35166297674813,11.863657877655154,12.37926906052498,12.892858198615432,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_24,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2687613945441052,1.0228804411165198,2.0272755441503896,3.307998685416694,4.687021962344121,5.675267241966861,6.212794064778672,6.4676149874978455,6.563733810211492,2.838932848632065,0.8266335076429683,0.0280361721182353,6.210154345327633,3.9998750981185656,3.398812202367931,1.3328211911966827,3.1500112394683595,6.673687412712012,0.366259462121464,5.949676037629975,0.6977623536538384,22.73990312854511,-0.4194327397390692,-1.181059674620853,-0.3476293337200216,-3.3960837577143885,0.4385862109085975,-22.15305408389968,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0221,10.065027051683376,10.526647403102336,11.004999423637924,11.497094792764583,11.997951434859733,12.50195512718602,13.00368236861008,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_25,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2419009751096891,0.9478402554262042,1.822724143441429,2.8775774381273127,3.997293438938618,4.802675528278749,5.2424957559039935,5.45144780461156,5.530339821049998,2.495236473009721,0.7684961846042019,0.0204730248751776,4.40768822885766,3.0170060939369283,2.443434465656595,1.0619033838086056,2.8510747018448552,5.986226460677152,0.291156854979937,5.180329541684353,0.7228091392335786,20.078510608823017,-0.060493847954515,-0.4208315347209522,-0.291156854979937,-2.3897486877940115,0.518999340747623,-20.078510608823017,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0221,9.25600421434294,9.883929282328369,10.492635681268728,11.084373650541824,11.659645668638724,12.21797556165491,12.75842084994652,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_26,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2686104290250688,0.9806739321764648,1.914573648549992,3.306313368238487,4.8656023985861045,5.974314276835897,6.572634992050767,6.855121234154956,6.961487072812483,2.780915530546346,0.8020143253680942,0.0279280709103593,6.8837348840496615,3.9994845469356175,3.6749675376427096,1.173405056143118,2.9090412824580203,6.125012045757148,0.313639600088257,5.418158083164077,0.7064491205283372,20.817998414055246,-0.2273547184245494,-0.7767904467769952,-0.313639600088257,-2.736471519130606,0.4869014004665575,-20.817998414055246,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0221,9.887480933748911,10.383492742372036,10.892746301290996,11.413282796459074,11.94058021828601,12.469163803016055,12.993601591509892,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_27,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2679959707944284,0.9787509587055369,1.889231965730762,3.1514549718753666,4.503288346608181,5.446197679492445,5.950939681708598,6.188428419602779,6.277726961627303,2.684400067353905,0.8005655527622655,0.0278848641896494,5.897671638756529,3.650335359198943,3.078665533845551,1.1263082364725627,3.2143918809149907,6.827972505416867,0.4047972936383302,6.452770230021633,0.6714094614353017,24.16790527734156,-0.8335810554683113,-2.0798024356872817,-0.4047972936383302,-4.071959404574953,0.3880513558884709,-24.16790527734156,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0221,9.857245225137929,10.34150366296768,10.841295636073262,11.354418132785876,11.87605220064666,12.4004217126643,12.921816661702882,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_28,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0773299714680109,0.3995913064564314,1.259188610008083,2.782386819597342,4.39893527558188,5.510895241834461,6.102730461232317,6.380568205317621,6.484946441347301,2.216000503557233,0.2959344662048206,0.0060143294721082,7.306529429601193,1.902540010804508,4.73456384042244,0.3100547411203097,4.340111387131579,9.52967861127917,0.4879261624746071,5.248878781597825,0.7762927764769381,20.203235982992584,-0.0977020212465465,0.1875962265368526,0.0111808217471613,-5.248878781597825,-0.7762927764769381,3.517149057531985,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.766289964753373,16.3548722655738,16.878899355001554,17.35210422997008,17.783973583632893,18.181144783041614,18.54834757362429,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_29,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0688659316404542,0.4087164421181137,1.3570383435323594,2.950556666391169,4.538015377617614,5.594503373171958,6.148978261933523,6.407764729620271,6.50475960036588,2.3722615931359234,0.2955916121017187,0.0046057004865723,7.13336899860155,2.348645111103953,4.539532924385788,0.5605931547760464,5.016825673737745,10.967713702390176,0.5968701374042765,6.990040820068623,0.8886325438744895,23.68325539223705,-1.0476855737913542,-1.8763644490327056,-0.1299124785870542,-6.990040820068623,-0.8886325438744895,-1.75413616745952,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.225363487567927,15.907546805464175,16.515300206122834,17.06335020639275,17.561749528391324,18.017569583314195,18.435987437791017,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_30,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0703468546996197,0.4078021703400475,1.364244161604922,2.9858736600682896,4.557681580764469,5.577041154888745,6.104550245585281,6.349150355630878,6.440577927087474,2.400938755028008,0.2958560386059726,0.00484039490105,7.575854284634181,2.539338207432408,4.643964608143179,0.5196651112107804,4.895978727532435,10.672701599783124,0.596616059936379,7.3010253451410305,0.8701315636994025,23.29595270672096,-1.5414794231989852,-2.9891923313015267,-0.2019690829559731,-7.3010253451410305,-0.8701315636994025,-4.654527294511372,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.062444709884296,15.776733982197488,16.407544582728303,16.97213686761523,17.48246408712008,17.94698666676877,18.371877222436403,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_31,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2153488125841504,0.7732059432296959,1.749835354453608,3.204694157756318,4.679332488217988,5.678789915682357,6.207781862524997,6.455560672629539,6.548563775268118,2.676537801855224,0.6201653478931224,0.0287627509264279,7.033560285149386,3.1642388417218448,4.380568930981014,0.8471827342673977,4.2708785318360905,9.107106201902994,0.5499839553679626,8.489574816329121,0.8547892568097323,21.263804979955115,-4.014213440697641,-8.519212621448128,-0.519788062292851,-8.489574816329121,-0.8547892568097323,-16.178215638173363,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.703684219633816,16.247041152310118,16.7429862934767,17.200681510554947,17.625620945291644,18.021277002114832,18.39005254107023,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_32,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0803147183336382,0.5117405433408571,1.567509352860914,3.1549608368412434,4.655589749335512,5.630863141604718,6.137411305699084,6.372774625057122,6.4608300734585296,2.5923491904937164,0.3713521047459207,0.0046277020570003,7.268921331584881,2.874658721016224,4.751559476520342,0.9766382153481676,4.790479788738097,10.42109040015603,0.5477697774851367,6.730870252362588,0.9088450510874072,22.73151506556219,-1.3313088007079084,-2.49782974737916,-0.1408084847757026,-6.730870252362588,-0.9088450510874072,-1.3687241135671886,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.6186423104629,16.27508119291705,16.860937294303714,17.389714226876453,17.870581186693105,18.31001228594637,18.71281081266655,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_33,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0729370751301059,0.4021418485480506,1.2885297409021932,2.754942250415472,4.1855724727598895,5.127149743550562,5.619174100593174,5.848431810543671,5.934304659925677,2.2268260984963457,0.2949734535656636,0.0052513779618888,6.546201036135211,1.980559750433624,4.15378396774413,0.4087306629930816,4.2243810940457065,9.23268821829715,0.489737354397402,5.697050576162139,0.7654642763282997,19.899290793697137,-0.7603061772067639,-1.2981950747562023,-0.0821991288869381,-5.697050576162139,-0.7654642763282997,-0.118486121254766,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.809030845301772,16.406084591737322,16.942578368367027,17.430330869802493,17.877329248889453,18.289120812106976,18.669710754058777,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_34,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0749032544828956,0.3908955581111415,1.1812201852515274,2.470045222827389,3.739442263642978,4.578610299377739,5.01765743384779,5.222299296725457,5.298959556230906,2.0044042818188297,0.2906811511613317,0.0055955181256198,5.443046547630766,1.5428054867034415,3.4621838982752693,0.2699616130041986,4.129900981548025,9.027971082158702,0.4819217977601951,5.606513875881401,0.7434060716587031,19.46012416386603,-0.7599888739047631,-1.3091586562338344,-0.0854615498021642,-5.606513875881401,-0.7434060716587031,-0.3982930008165447,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.94795570708863,16.517737475983637,17.030190560544874,17.496908703358088,17.925456707769328,18.320948725351453,18.68701796872331,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_35,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0679590841370132,0.3910417164401448,1.21634379787711,2.633549523505512,4.159496864634672,5.223791785581101,5.79435672546401,6.063090715981119,6.1641871397660415,2.105374663408631,0.2861219942137223,0.0045321529808007,5.785547357020024,1.7444578700845788,3.749242817542562,0.298313985502929,5.613550717613978,12.319134384458737,0.6568594145938839,7.263423382586247,0.9772674126132632,26.26525226218049,-0.5064636275940053,-0.6213078443192768,-0.0560256392974164,-7.263423382586247,-0.9772674126132632,1.314275375984981,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.839997151172518,16.454171004791878,17.004520476745927,17.503253434430263,17.958745347693398,18.37689575430877,18.762023427440266,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_36,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0682133929059532,0.3791997373525588,1.2369276790000103,2.80573132452265,4.467571739902025,5.5981618711258765,6.195556499680434,6.474997749451037,6.579816270964781,2.220347605069267,0.2780853936796545,0.0046622966220624,7.031121104418225,2.04149756356629,4.404138703214286,0.3515107791172238,4.537948761449557,10.128271494343249,0.5018723092771492,4.027080213505317,0.7153659723811997,20.42682029616707,1.87366785327914,4.557591049011019,0.2524355277497563,-4.027080213505317,-0.7153659723811997,11.696532942708318,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,16.02002757370424,16.593062704994825,17.10988282668007,17.58188526382062,18.01635943728348,18.41814599717348,18.79063779350064,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_37,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0785091275327709,0.387839587235588,1.239685960025415,2.783527213774561,4.351038091154117,5.392057892379095,5.9365578998620245,6.190198011730208,6.285181532883931,2.2158484613569907,0.2898618876420926,0.0062425348746853,6.632346257146117,1.9378605574613363,4.429421651270512,0.4444335931938573,4.684491285600809,10.16084622290728,0.5560576253510936,7.154693204000477,0.8833177104970813,22.433326885799502,-1.881957582687944,-3.741618872421424,-0.22634777794958,-7.154693204000477,-0.8833177104970813,-4.95086222972407,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,10.64917917531324,11.085980976138451,11.485378393974235,11.855089388257763,12.199925640802224,12.522928175677649,12.826089267547024,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_38,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0689728502388522,0.411140011737018,1.3573825682979486,2.8675389492316987,4.310757433846498,5.254763243817284,5.7472545456149895,5.97662355255139,6.062525560883089,2.3291896007267865,0.2967913615672324,0.0046280138287296,6.48165653908997,2.360239379084056,3.996110052750245,0.5175568021540883,5.234718099560742,11.472592309087524,0.6401288330029998,7.3463135112483,0.88782620655942,24.66887287163549,-0.971351492084116,-1.7073147306530112,-0.1385562909469261,-7.3463135112483,-0.88782620655942,-2.58510646661192,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.91266870143083,16.497202601625684,17.02533548024132,17.50765755845666,17.95114369261287,18.36056554059028,18.73936946758303,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_39,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0698230067797208,0.4061856985702887,1.419635196905777,3.2107445521204028,4.969205324890233,6.11661643283418,6.712274118170463,6.988883980217452,7.092341106047119,2.5606724804508474,0.2935348894774926,0.0047944593154026,8.080723451671785,2.915566135787187,4.9244286996013376,0.6179652406073836,5.897349772292093,12.89059274341547,0.7209528536613883,8.549365627598041,1.0226364053498191,27.928945374467883,-1.4835732258131202,-2.7807999167877795,-0.201685024663862,-8.549365627598041,-1.0226364053498191,-4.3633803669158695,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.76711667351892,16.393121742862835,16.95094646540528,17.454734989990083,17.913963825582297,18.33515657464547,18.722979412108188,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_40,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0670259357532677,0.433218495224385,1.4939907285060408,3.235103247849924,4.946421207258926,6.081583996641919,6.677010065755842,6.954892802986457,7.059046000555922,2.607596458849033,0.307734087928333,0.0042525212402529,8.217319456266317,3.045130639743697,4.99513422306257,0.7561563941252692,4.894290338414559,10.706420138171918,0.5716007262828909,6.591575855743554,0.8755671486516334,23.03369154560573,-0.8206365900912039,-1.3756814817670626,-0.0923473441272019,-6.591575855743554,-0.8755671486516334,-0.2044909187475192,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.238592027398727,15.940062255327742,16.56495880244321,17.12791915724499,17.638967943552416,18.10522593665836,18.531990742527896,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_41,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0784393497928521,0.3598380435496441,1.123470407848404,2.582061855950168,4.102466894984106,5.123285138293342,5.659667943499851,5.910011667751904,6.003834435694504,2.0391990015852195,0.2737553380583481,0.0063568390364463,6.155435761338148,1.7418994401790595,4.114961954251956,0.4402414569922852,4.157367829893542,8.973282260991194,0.4710160398511949,6.339744738708844,0.8396831319050129,19.99396344447058,-1.9108866657350103,-3.827697993323206,-0.2067241381854852,-6.339744738708844,-0.8396831319050129,-3.726942786813225,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,16.622074140091808,17.16483058838283,17.642906116198837,18.071343829192617,18.460309187421405,18.816763364051265,19.14556362953322,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_42,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0729240110240099,0.3707484588028638,1.1896712058526149,2.654133923665102,4.126825089019401,5.09743171846092,5.602799409242228,5.837686976871201,5.925563845949474,2.1174445431639546,0.2760136878048179,0.0054238344746185,5.97634044613326,1.8479723945826465,3.905365644483493,0.4957184980575637,4.761663579168388,10.399178919468996,0.5489966147580578,6.435000974093724,0.8715144158067896,22.44900013427237,-0.9102632547212928,-1.577513626143687,-0.0958906942348702,-6.435000974093724,-0.8715144158067896,-0.1220556804801121,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,10.936871899920195,11.33457634200063,11.70212521958674,12.04534222468303,12.36767362556717,12.671163181483916,12.957072342409791,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_43,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0731641676919368,0.4060218025010375,1.3892475167545055,3.148202008992949,4.947016807798065,6.157346421951011,6.795458095525095,7.09384333987287,7.205764740788743,2.502048384815177,0.2955808984893642,0.0053249144301796,8.290356999792483,2.8193594445488745,5.110431400191816,0.5865156283232694,5.106517931674227,11.133594465047963,0.6147137829480983,7.475942595337162,0.9154183957402814,24.25844685841021,-1.4964466651182708,-2.864695437217217,-0.1899995162944563,-7.475942595337162,-0.9154183957402814,-3.9065186150792055,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.513152941077346,16.174910124367987,16.757313855388183,17.277843289531855,17.74848422926248,18.17758623074031,18.57110479495325,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_44,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707945697828849,0.4153708566894265,1.4648651553817076,3.265878351778228,4.989595661385364,6.1012385104353415,6.675656302888555,6.9419104902365,7.04142244696506,2.6191938393313303,0.2989001659429163,0.0049184456751703,8.578904282418346,3.165852526242027,5.09519608213191,0.6754442171866014,5.708172776543161,12.441708959170038,0.7168920174114927,8.871954212884301,0.9897202777826456,27.255186531240405,-2.065420280696191,-4.097953296896561,-0.2883329002530256,-8.871954212884301,-0.9897202777826456,-7.92768558701774,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,16.320535086543536,16.875071232839527,17.37322804268016,17.826705431571437,18.243177957591275,18.627802864433075,18.98418319911144,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_45,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692241787308267,0.4271299174130064,1.49326187909556,3.263477605883196,4.9553167401350855,6.050867202446922,6.61832897601161,6.88164526111303,6.980103271319794,2.629886100611198,0.3049720691519357,0.0046233385228109,8.177711509450278,3.126482082732588,4.899161486839835,0.756329146378132,5.680240645617763,12.423969237766295,0.7018957566381206,8.292698938523909,0.9708103586708148,26.89984934798941,-1.4264046520027696,-2.680521611672385,-0.2014444632716507,-8.292698938523909,-0.9708103586708148,-4.717058348852589,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.997745793269978,16.579510860588137,17.103836257210627,17.582019124989795,18.021440215271703,18.42708945581982,18.802514834721745,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_46,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0724574135898259,0.4003728886578969,1.3170779477222785,2.918601498302472,4.527445943602099,5.593296464533137,6.150387982334474,6.409829418656707,6.506976584360927,2.333272206348256,0.2929685119505538,0.005214056883333,7.513903666904462,2.3334371389650626,4.718825154196638,0.4845195327159629,5.204911071822018,11.32296207411487,0.6424394113371895,8.08233269501367,0.9301727677890343,24.893508525357152,-2.0002783761887133,-3.982723551134971,-0.2654238000862126,-8.08233269501367,-0.9301727677890343,-6.881703874461915,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.504097990466802,16.162058020821764,16.74282743861958,17.26312519869069,17.73440727468722,18.16465863293151,18.559588707541288,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_47,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0695704981240814,0.4047306846288021,1.3621786288688598,3.061398634640001,4.814701595744789,6.000826816902343,6.627639976750072,6.921026913317778,7.031116274991675,2.4354192557992187,0.2936634138383128,0.004729985914672,7.911564310834508,2.607531789482968,4.865431643554463,0.5159011652565534,4.550845616542031,9.952237597624492,0.5250724386744056,6.047567834229087,0.8237435899075991,21.402299436856065,-0.7203811199554292,-1.178525996583937,-0.0744295567230406,-6.047567834229087,-0.8237435899075991,0.4197295979454474,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.86619904620144,16.46479742119546,17.00375189778434,17.49436844794732,17.944270657040835,18.3587615016092,18.74169534902577,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_48,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0696556088512088,0.4043397782769061,1.2766192115318002,2.70962572415248,4.168090708381954,5.159323883174891,5.685561681544177,5.932487349282057,6.025245144396996,2.187415130783258,0.2948525813138927,0.0047078364536984,6.33301779891711,1.993586453542573,3.938967720320188,0.393853183347596,3.596844773611581,7.929165076079245,0.4048401928503851,4.10345401005373,0.6223823880899818,16.61816771487744,0.2736476603997401,0.9362308570473892,0.0505118582097703,-4.10345401005373,-0.6223823880899818,4.216676002455921,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.868771726917991,16.473629347128476,17.01687473812364,17.51049328043848,17.962518691630354,18.378508537350665,18.7624812807086,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_49,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664150522467393,0.4134760549518949,1.3756939782332127,2.884895150565228,4.326401590840145,5.276083635944014,5.774027597445542,6.0065148404475925,6.093677856223245,2.3485432994440294,0.2965472193238174,0.0042249693621747,6.634812353494875,2.431313128408324,4.069790319091206,0.5247697309194198,4.65531410253955,10.195758452765835,0.5483855487793543,6.248617502502007,0.8193073547407133,21.87968001756156,-0.6974576996536828,-1.130254603768789,-0.0827553837339582,-6.248617502502007,-0.8193073547407133,-0.2102526204043769,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,14.84243147319045,15.579765885768996,16.237348920777965,16.829897385675523,17.36758986373287,17.857753641433845,18.305921574490377,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_50,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671277269681713,0.4184197959165632,1.4734960320718329,3.293269072778485,5.060950758135848,6.206603225921087,6.7990928508240405,7.073730085421137,7.176369550985195,2.635711698862063,0.298958885614588,0.0043266591445474,8.431653079137517,3.14475871283592,5.10770681050395,0.7369466139266813,5.73546659467014,12.561588463553363,0.6983733354682736,8.06856967899029,0.9818440502545692,27.05039117363768,-1.1257981621499178,-2.003103601105636,-0.1560594022306004,-8.06856967899029,-0.9818440502545692,-2.8547546458229087,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.67203771364124,16.297744118260628,16.862302243244272,17.376592476127495,17.847980846257542,18.28165802460192,18.68148446575402,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
RSM0221_51,RSM0221.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0728091969670604,0.3993452008741857,1.1960708008353895,2.46873321334759,3.7776838434898905,4.677657277504998,5.158384494744584,5.384587261804655,5.469659488631837,2.004496208062459,0.2946123478730524,0.0052219369569055,5.179615467693556,1.5348414714069156,3.312283439639089,0.2718235142292672,3.3148399284651884,7.393150341681214,0.3541998044163494,2.78164617834391,0.540934345011552,14.890803549599909,1.4547823342585828,3.531710133159826,0.2069322264923296,-2.78164617834391,-0.540934345011552,9.736438322259213,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0221,15.74045553741685,16.341178441241265,16.87789813485556,17.363609160966764,17.8072106796051,18.214918763489983,18.59120333939676,"[Mn].[O-]C=O.[O-][C]=O,dia.cat0","linker [O-]C=O, [O-][C]=O, nodes [Mn], topology dia"
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RSM0373_61,RSM0373.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0668622643542823,0.3868020860336227,1.233171013146641,2.6596822177236734,4.111083478132291,5.085258125657076,5.597627641782421,5.836880750335708,5.926565045787749,2.137718372368101,0.2824728175503744,0.0043469877665648,6.395283887881371,1.8725910067867453,4.240458464791694,0.3853407744694369,7.995814931528725,17.53911762343287,0.831981636239384,7.394368100848377,1.0910095865070089,28.45277478375677,1.3959849657124082,3.541460285917369,0.0218183544189005,-7.394368100848377,-1.0910095865070089,0.0970599200398421,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0373,14.24530447849884,15.042019881864997,15.76731784789672,16.42671369482221,17.026035198385006,17.570951924403012,18.06675518879144,"[O-]C(=O)c1ccc(cc1c1cc(ccc1C(=O)[O-])C(=O)[O-])C(=O)[O-].[Zn]nor,.cat0","linker [O-]C(=O)c1ccc(cc1c1cc(ccc1C(=O)[O-])C(=O)[O-])C(=O)[O-], nodes [Zn], topology nor,"
RSM0373_62,RSM0373.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683665185642845,0.3792322625250817,1.2440629308892046,2.907433013126252,4.721028135832358,5.971766559428928,6.636786840742964,6.948720903101535,7.065860814024695,2.2788966689672545,0.2790596191983779,0.0046101478030904,8.27107712549787,2.3939476982737222,5.233421133687867,0.4049860706335217,5.792376754739752,12.661834397296696,0.5164170643093787,4.221857146937167,0.896593644994403,19.905994638316667,1.5864958740901032,3.900581863394011,0.1543895383115173,-4.221857146937167,-0.896593644994403,7.235031228391518,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0373,14.840964922941849,15.59917628205197,16.280325415237286,16.894392547901198,17.449765699894023,17.95348009379902,18.411458986298307,"[O-]C(=O)c1ccc(cc1c1cc(ccc1C(=O)[O-])C(=O)[O-])C(=O)[O-].[Zn]nor,.cat0","linker [O-]C(=O)c1ccc(cc1c1cc(ccc1C(=O)[O-])C(=O)[O-])C(=O)[O-], nodes [Zn], topology nor,"
RSM0373_63,RSM0373.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0668445755663946,0.3867776846549758,1.233149028912678,2.6596278668650863,4.110985974274418,5.085131580770473,5.5974861194209895,5.836732317748517,5.926414037058526,2.137678252819829,0.2824471275615064,0.0043444633900376,6.394919263753139,1.872482348773582,4.2402512066381455,0.3853894315469471,7.995792290922805,17.539059804907748,0.8319680923955513,7.394224285171874,1.0910233031045713,28.45264121268965,1.3960242024970466,3.541555355772623,0.0218334070062533,-7.394224285171874,-1.0910233031045713,0.0979272240642267,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0373,14.24201151470874,15.039214677570564,15.76489445163694,16.42459461263258,17.024162681329734,17.569282206265683,18.065254576659765,"[O-]C(=O)c1ccc(cc1c1cc(ccc1C(=O)[O-])C(=O)[O-])C(=O)[O-].[Zn]nor,.cat0","linker [O-]C(=O)c1ccc(cc1c1cc(ccc1C(=O)[O-])C(=O)[O-])C(=O)[O-], nodes [Zn], topology nor,"
RSM0080_0,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.005889943907214,0.2213891375604498,1.3274987861353071,3.498978550217518,5.818753271118895,7.420795900617922,8.276236311753399,8.678529179329422,8.829781093555185,2.687945659210729,0.1245851038054248,9.936252109411846e-06,10.76923672986252,3.553892700976313,6.349847589910256,0.5299092266134052,21.902630731621784,49.47904595741444,2.128305601114008,5.63703648174631,1.3789023265170717,70.46823841987164,-21.902630731621784,-49.47904595741444,-2.128305601114008,3.070924459466156,1.3789023265170717,-70.46823841987164,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0080,19.21493923070762,19.70446081460218,20.09747634764648,20.416903905823386,20.67948612760943,20.89760473291198,21.080531731485003,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_1,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0059144150968549,0.2219681357215918,1.330180539744526,3.5064493193998185,5.832439781963808,7.4390098139736,8.29688655804967,8.700324898632687,8.85200715454625,2.693462757969687,0.1249368841173094,1.0014399981898112e-05,10.8231511149595,3.570658373959597,6.379800183012142,0.5320550577869572,21.897810957348504,49.468730345880665,2.1276234596101724,5.633670557973566,1.3797681107489888,70.44458738596956,-21.897810957348504,-49.468730345880665,-2.1276234596101724,3.081201365770114,1.3797681107489888,-70.44458738596956,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0080,19.239647967351136,19.724001284801112,20.113284049804832,20.429939608053537,20.690413038804493,20.90689332566533,21.088523907632982,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_2,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0058396511682355,0.2210014051125631,1.328805017900303,3.505331264953505,5.830897296798654,7.436762484195601,8.294146612092042,8.697328039184034,8.84890972327966,2.692306316703504,0.1242219411714858,9.772453239507265e-06,10.820247180834851,3.56632273658894,6.376960608509927,0.5299456517512388,21.891954755330016,49.45617908798319,2.126777743853874,5.629378170916474,1.3807884036041569,70.41466829312111,-21.891954755330016,-49.45617908798319,-2.126777743853874,3.093823293838986,1.3807884036041569,-70.41466829312111,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0080,19.449860687721703,19.90285948840384,20.267052664913628,20.563381139422027,20.807194235268348,21.00987288365661,21.17995735974895,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_3,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0058646920230028,0.2212773571615694,1.3293199374995668,3.505506428317578,5.829904614351056,7.434687190779661,8.29143413549877,8.694304800992452,8.845768008817615,2.6927168276665565,0.1244311112446336,9.86421661613657e-06,10.816555571064562,3.56631838583858,6.37595478000071,0.5309873504483669,21.890996710088885,49.45410953306209,2.1266236450629283,5.628487030666259,1.3809257985034384,70.40867160396057,-21.890996710088885,-49.45410953306209,-2.1266236450629283,3.0960141294076937,1.3809257985034384,-70.40867160396057,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0080,19.27058862828637,19.75168027221417,20.13796397860625,20.45195265275043,20.710090489563388,20.924538284690936,21.1044030710896,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_4,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1387126080283711,0.5798244616517437,1.7832357797258396,4.019725426384342,6.386192801831532,8.000745856613518,8.856385346930624,9.257295660657366,9.407791192446997,3.18581509952165,0.441035557291531,0.0178172196405214,14.005221102097195,4.580302530635161,8.025239260560845,0.6495351594513903,7.278528531123912,15.825628905772303,1.0443945006789137,12.91878625518676,0.8582802630832995,38.7188258852954,7.278528531123912,15.825628905772303,1.0443945006789137,12.91878625518676,0.8194960019208929,38.7188258852954,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0080,3.68088587637804,4.238030897984667,4.814680264129136,5.402547243263236,5.993240258268187,6.579377021994072,7.155108558347949,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_5,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.13895017842765,0.5785639404636183,1.7784453095780142,4.015893975123806,6.384184742078955,7.999587284963461,8.855549318849002,9.25658386368318,9.407121900371768,3.1813052098708265,0.440465473832986,0.0178916996218601,14.003680793919616,4.569102563454618,8.032417356946237,0.6374829960108488,7.268625978380409,15.802675464793948,1.0436177754363474,12.930685287731556,0.8596890477884518,38.69328985812629,7.268625978380409,15.802675464793948,1.0436177754363474,12.930685287731556,0.8213050064435998,38.69328985812629,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0080,3.662281945713159,4.219326640145672,4.796254654386688,5.3846509202741,5.976022604113212,6.5629112132274585,7.139412312649889,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_6,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1387440355752739,0.5791545042646128,1.782835780811566,4.025184837128323,6.398322695720305,8.01695586169859,8.874591025060058,9.27639883449858,9.42722530483547,3.1888588587545934,0.4406266934764467,0.017833987066343,14.055230348747433,4.595617195685548,8.061040040660423,0.6489692676491462,7.26250822302181,15.789311156703985,1.0426484597961996,12.91872449223628,0.8590815314404329,38.65461568214417,7.26250822302181,15.789311156703985,1.0426484597961996,12.91872449223628,0.820724797023931,38.65461568214417,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0080,3.6568970541143946,4.211720443963768,4.786699109173558,5.373456072585838,5.96350539789214,6.549372102199766,7.125121054639621,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_7,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1391581620038351,0.5804100349610346,1.7856641705524456,4.030141777012059,6.406164967240051,8.027122780310396,8.886074257956219,9.288514871384566,9.439581240948373,3.192977732103625,0.4416140471001973,0.0179384555563235,14.09158219566553,4.6099769310363365,8.072367421816715,0.6498264674642167,7.252404507521848,15.768308941948025,1.0416992719936835,12.899549822296208,0.8561352206738425,38.63978161376834,7.252404507521848,15.768308941948025,1.0416992719936835,12.899549822296208,0.8177573797999123,38.63978161376834,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0080,3.6785869505720665,4.236335909546408,4.813691535938642,5.402241091556605,5.993508525204273,6.58005703864288,7.156004947781118,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_8,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1391573338687932,0.579529944335612,1.7810488872121195,4.020434973568862,6.390777619019253,8.007478860749725,8.864074791921128,9.26539196291093,9.416033655063591,3.1851247316318547,0.4411517911984842,0.0179419855779434,14.035387367777227,4.58092365514171,8.046948174148222,0.6376441150873216,7.236157177127587,15.72954919891628,1.0402774355577629,12.928937757369448,0.8604415797919404,38.57941093747278,7.236157177127587,15.72954919891628,1.0402774355577629,12.928937757369448,0.8228781668745083,38.57941093747278,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0080,3.649903822565781,4.208035316368503,4.785942750375316,5.375173323209608,5.967220665420155,6.554622154958816,7.131473113602405,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_9,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1387801252891047,0.5804479221317289,1.78818598684223,4.031683716706692,6.4033535301629385,8.020607566894421,8.877474076881597,9.278917923344078,9.429607404859746,3.195449158268952,0.4413531812550229,0.0178361284595947,14.069125293654489,4.6157697709491865,8.056649567490151,0.6582379919012542,7.286450080797073,15.84365436940882,1.045017285295592,12.913214713059029,0.8577629521344695,38.73644964178197,7.286450080797073,15.84365436940882,1.045017285295592,12.913214713059029,0.8187147571330013,38.73644964178197,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0080,3.656155603300757,4.213389320062036,4.790385255783373,5.378772778267084,5.970095935730142,6.556922693483156,7.133365529024938,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_10,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1383261750082746,0.5783329238564469,1.7817621213851127,4.023061495655836,6.395228633031321,8.013495426370977,8.871035492831435,9.27282101118607,9.423642648128274,3.187157957532582,0.4398547861506563,0.0177443662591927,14.04872140910087,4.590195991734388,8.052455134873316,0.6457005692419218,7.233575170664292,15.724420670442187,1.0402997315505191,12.92655849519148,0.8592545747722916,38.593863697219305,7.233575170664292,15.724420670442187,1.0402997315505191,12.92655849519148,0.8216915100883349,38.593863697219305,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0080,3.6210772499253774,4.180652472150989,4.759943292884042,5.350527481973423,5.943927528660211,6.532705840736765,7.110977795028441,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_11,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1383330514026264,0.5783695049627966,1.7826932386577876,4.023663926987839,6.3942704644278985,8.011056019955918,8.867703747446155,9.26904856737974,9.41970126203752,3.18807096424354,0.4398173606084448,0.0177500793604334,14.034798549104458,4.592274169082717,8.050109021187973,0.6532813828992077,7.277826228131114,15.823878730776032,1.0440462167283793,12.915186396281818,0.8586034553503766,38.698039662139706,7.277826228131114,15.823878730776032,1.0440462167283793,12.915186396281818,0.8198176044121432,38.698039662139706,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0080,3.626940424879096,4.185526992790925,4.764050144958933,5.354036737355237,5.946966770870421,6.535370127371032,7.113338254967414,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_12,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1562828312043864,0.8261807186925553,2.1764031644106985,4.269891269911703,6.417318556816242,7.878470852264666,8.652969205067176,9.015956237457864,9.152233948345849,3.505196032620144,0.6269524146207004,0.0096883346885529,12.861136117080072,6.298077307017732,7.070735855799352,1.637985756497423,2.0614876002285767,4.253732889417626,0.1332562708016409,3.077417274435464,0.6593827779035452,12.83473206360854,0.7567696101045227,1.382633106814158,-0.1276873272231698,-0.3232029152547831,0.5662426119318582,-12.678801643411347,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0080,6.892707123649971,7.615950197133899,8.333323615314153,9.044144133212454,9.746010635091128,10.435526066923462,11.108983745884435,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_13,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3093465268417442,1.1866956898627674,2.619382131073748,4.600913679698932,6.60654902073852,7.985318809539984,8.72155406399334,9.067855105199412,9.1980681466898,3.887183905412023,0.9468313457424672,0.0367623667657497,12.812447235999796,8.060077519185644,6.300679319935088,1.9528489178166808,2.384519854738894,5.225255307394204,0.45556118281655,6.029009317271293,0.2069341175777762,21.03382293002547,-2.171091973426606,-4.799605412299044,-0.45556118281655,-5.815581435959007,-0.1119587103938083,-21.03382293002547,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0080,9.072592795760782,9.942272087302834,10.784562729285549,11.591036586470365,12.355940982410065,13.076024508593386,13.750076335773525,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_14,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1562665532595401,0.8268042987379745,2.180662011097452,4.281880878389267,6.43611509689525,7.901051323739848,8.677305914814703,9.041061257170192,9.177618749515768,3.51441021243814,0.6273174106128335,0.00966823623985,12.939300285238229,6.332755955440195,7.1092681134110745,1.6420359436007606,2.0702786285634547,4.274387507360671,0.1361073647500516,3.107191450213927,0.6576530843543373,12.930688672855968,0.7380639234795715,1.3427797736589218,-0.1303355762667249,-0.3652244657291589,0.5625222237413844,-12.76907859532282,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0080,6.942869784510648,7.655710256798776,8.364903091550632,9.069253768992589,9.765979870221653,10.451396289804316,11.121575757336569,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_15,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1561285315714,0.8262185222744695,2.1791022791913663,4.2807172236752615,6.436062239766523,7.901816677929387,8.678514947538885,9.04248082254187,9.179117822173612,3.512944095745692,0.626887977664989,0.0096543769955854,12.941034998159257,6.3309374723861405,7.112267283903287,1.64117565279398,2.062790690448824,4.256741204322143,0.1338263298849272,3.085061636466344,0.6591824301317057,12.857545894022447,0.7513827766339392,1.3709198967609717,-0.1284552528780497,-0.3326555549626724,0.5656382761374286,-12.707155737829876,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0080,6.883428100824548,7.604358586032681,8.320652917643294,9.031158193901716,9.733178044216896,10.423128062448574,11.097181380212776,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_16,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3095966003817871,1.1871177773860575,2.6211797482606047,4.608420607296363,6.622474131613673,8.007722728327117,8.747538198623246,9.095542800652735,9.226399044623316,3.8922167821129072,0.9472094041007176,0.0368266518714117,12.879467185375075,8.084234465836278,6.33680708615171,1.956403080499029,2.3847846047080754,5.225702317354443,0.4554826247610516,6.028645602796489,0.2071992276681215,21.03357551876141,-2.1700416429024414,-4.797429691477375,-0.4554826247610516,-5.813902640990854,-0.1116386096646142,-21.03357551876141,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0080,9.053343241152149,9.92164879949374,10.76310925844548,11.569218065794082,12.33412279929079,13.054476552948945,13.728987126516154,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_17,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1560155787338228,0.8260312779484936,2.1802431448058504,4.286256056810121,6.446265861099294,7.914775407952213,8.692775620932617,9.057314231980271,9.194160173024926,3.516752534895016,0.6266683734309529,0.0096441090954327,12.98686175186497,6.343480919949672,7.138507762590355,1.643325587040594,2.0720851257976443,4.278301508492104,0.1363357101015079,3.11006751931209,0.6579061000568021,12.942205790949933,0.7380076288367964,1.3425946043999166,-0.1304797892906615,-0.3673178540023827,0.5626175010060179,-12.778240008246234,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0080,6.942022267346525,7.653678325526251,8.362037484800698,9.065857386047986,9.762291928567322,10.447594661991635,11.117786336617822,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_18,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1562876963279767,0.8263798293531439,2.178834290556556,4.281011382880856,6.437265207797464,7.903382134300204,8.680157790554656,9.04413149846952,9.180766739465108,3.512914963164159,0.6270962943823881,0.0096794563968242,12.948052994592562,6.330833749139646,7.116496423661698,1.6403151257216857,2.0688091833210773,4.271018594379592,0.1359376405836172,3.106995226526136,0.6577438576963265,12.92718225425206,0.7368300449648385,1.3399292375114935,-0.1304581870876305,-0.3643697134440665,0.5627244956251943,-12.773757556364432,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0080,6.881569855339233,7.603693663108255,8.320488907266034,9.03107816561449,9.732933155845538,10.4225768799393,11.096253077212072,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_19,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3096879850106218,1.1874223248084004,2.6216030659080247,4.607029073689734,6.617364740281925,7.999594042246921,8.73772607080139,9.084928503124535,9.215481819538896,3.891773431095568,0.9474645501124768,0.0368356892848738,12.85605217481436,8.081162312666969,6.319536303920307,1.9565318536142071,2.381513218321598,5.218499367882709,0.4548243769924925,6.020108234261539,0.2069776752921872,21.004053631457843,-2.166730551603328,-4.790147556513127,-0.4548243769924925,-5.805325567543269,-0.1113993886025572,-21.004053631457843,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0080,9.035832703239924,9.90624496795714,10.749514677168731,11.557136934373656,12.32329493576103,13.0446870259271,13.720064252994922,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_20,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1556496270647245,0.8256028624112883,2.178240707025162,4.277873710383664,6.431341500063861,7.896154762730509,8.672464977789437,9.036274209146942,9.172856444243031,3.510870093089962,0.6262188874939177,0.0095834254962798,12.922497776101732,6.321450962485355,7.102815720832568,1.6405490379125427,2.0647219997063484,4.261250002629795,0.1342818739642801,3.0887647665492897,0.6588842114050767,12.87116385942127,0.7497989405476022,1.367693434951899,-0.128702737867469,-0.3384038914086661,0.5650263780325011,-12.71494804871056,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0080,6.931671622217565,7.642963629141479,8.351939988089045,9.057040967560026,9.755169803263891,10.44238353656904,11.114554241715531,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_21,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1562023090879779,0.8265631400763971,2.1810839372743995,4.287457529384335,6.447608607567623,7.916012966496225,8.693888450819559,9.058352433450636,9.195167728701731,3.517835820631986,0.6271294967064518,0.0096625508225772,12.992057408123644,6.347943961391746,7.140200371945709,1.644799890341936,2.06961838672722,4.272642666482015,0.1360241412028837,3.109285184343732,0.6580696076921426,12.935127344675742,0.7363360480353578,1.3386855495089616,-0.1306323265354885,-0.3653366182562002,0.5629875042168091,-12.784156533988677,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0080,6.925652025630751,7.642358304876685,8.354165095015217,9.060281800475616,9.758205507317498,10.44444206643036,11.115193371865924,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_22,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.308696902831301,1.1861978242046902,2.62044692363146,4.605829853033192,6.61640056078122,7.998838012194327,8.737078365521317,9.084329743790905,9.21490106158487,3.890549800732214,0.9462110686503716,0.0365576620094486,12.8530048925301,8.076668905070363,6.322693255633022,1.955685196279645,2.3863771231528728,5.229304234933291,0.4558956939053534,6.033542674395701,0.2071333937304907,21.04979949387144,-2.172579815900661,-4.802917575214842,-0.4558956939053534,-5.819745367143487,-0.1119935920032563,-21.04979949387144,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0080,9.058284826080737,9.928203649627749,10.77048767286636,11.576863945631189,12.341670569321456,13.061704719268556,13.73577746830028,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_23,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1558737699829512,0.8256971051613031,2.177060937791226,4.273364434903203,6.422729875870384,7.88457405601368,8.65926945494355,9.022313347698963,9.158606921501766,3.50769603267367,0.6264227234912527,0.0096160500622643,12.887019033445974,6.308585264154369,7.084828496543861,1.6385236705443726,2.062967475149553,4.25695787830025,0.1334914039471439,3.080466736888804,0.6595499622627629,12.845977537636417,0.7560711966991689,1.3810646589637006,-0.1278878517429327,-0.3258689153885109,0.5662460683048675,-12.689078075918504,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0080,6.921001733129341,7.636571008500437,8.348440522847087,9.055438556825225,9.754754507806217,10.442656923425828,11.11517336447388,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_24,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.067452300760718,0.396187838154262,1.4953194083892678,3.723425152310459,6.107035742224357,7.726286967559566,8.581278124841468,8.981131067150686,9.13110703878326,2.884747510529159,0.2851348938796493,0.0044639960440986,12.549153683758377,3.953762785760672,7.546580417270234,0.6859093725573796,7.482211103760383,16.620890449686925,0.7248053028920732,4.830801858764507,0.8998193571795722,27.11279879826548,3.6082192106634734,8.489216883064755,0.3314261556244845,-4.830801858764507,-0.8998193571795722,13.344528643899864,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,13.947155669937423,14.760887163906188,15.494141478307895,16.157356746801774,16.758882220077666,17.305600504506163,17.803330554611154,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_25,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0676478376170242,0.3967870454266948,1.4981666406522482,3.72994979321877,6.114689991882224,7.733690518608798,8.588338306173046,8.98799271616701,9.137888787388592,2.8902387314542284,0.2856119383188911,0.0044888031250764,12.58600371889688,3.9691483816650064,7.557635802992976,0.6873322314832127,7.492400443320603,16.646726027949764,0.7245825222291999,4.788195541147281,0.8983069712407912,27.10157290034458,3.664984974188482,8.614975947866306,0.3380256127716652,-4.788195541147281,-0.8983069712407912,13.572081069330864,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,14.585150302370971,15.32611739674724,15.996118069389803,16.604435389829117,17.1583191816496,17.66365396252168,18.12537645062836,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_26,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0684277705017053,0.3960296851845977,1.5134751317542865,3.799025332861799,6.240838879878486,7.892515542731155,8.76212746940343,9.168237932265184,9.32046739272554,2.938015589229374,0.2848075330644324,0.0046614058432376,13.084896439668896,4.084500305383319,7.950535644134436,0.5788139738475471,6.699808574688636,14.679348802171315,0.7167313599244836,7.294906751911905,0.9863671968996022,27.23618801767033,0.0448043469129004,0.5912898996486647,-0.0743872721529085,-7.294906751911905,-0.9863671968996022,-0.4529641050383997,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,13.116538154686346,14.070427774254188,14.914687821757989,15.66539647904361,16.335989429374266,16.937555619530386,17.479235736453163,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_27,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0680477503818963,0.3958113405156714,1.5185241945209025,3.813339750635339,6.260568658766259,7.9142984377410865,8.78464552612493,9.191034609815764,9.343359009329268,2.9494152226782413,0.2843442630649112,0.0046075699118734,13.16776513465032,4.123894953100511,7.9954764355532655,0.5845326976257781,6.710568945790522,14.700014578137498,0.718852727499764,7.349114941969315,0.9905331147651202,27.32225856867281,-0.0007069270276648,0.4919437771629776,-0.0798182495223492,-7.349114941969315,-0.9905331147651202,-0.6312256271011525,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,13.997123166399769,14.876903323673076,15.652956266174067,16.341748632184387,16.95653575104192,17.507966937612785,18.00464856976388,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_28,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0676761554163894,0.3969614713391136,1.4975401677781397,3.7296994838793567,6.118200985504362,7.740894993141377,8.59772645995386,8.998444155716397,9.148745077869297,2.8893982098487623,0.2857635804578604,0.0044909352808296,12.594917743035998,3.971559687467392,7.567926013438513,0.6874216766107581,7.503722908987491,16.67025185420881,0.7266288014320221,4.826233336050306,0.9008196125420458,27.170793313958047,3.640084570528797,8.56070798891353,0.3346861966171482,-4.826233336050306,-0.9008196125420458,13.45280214543746,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,14.027574700932236,14.816579038071415,15.531062026291286,16.179960972520075,16.770531026797862,17.3088547788317,17.80015999150653,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_29,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0675864571265298,0.3965110977641989,1.498678276680951,3.734273300002659,6.124782791718242,7.748321137845777,8.605507594163768,9.006377088103608,9.156733078728172,2.892898721664754,0.2853734069608295,0.0044827174654434,12.626171127529624,3.980600304944897,7.584982570066736,0.6894610641009309,7.49980456236089,16.662390973033276,0.7256339042427479,4.805657639477866,0.8998391589852748,27.14060068317397,3.655419268471931,8.594416902922717,0.3367683653603779,-4.805657639477866,-0.8998391589852748,13.530306822291024,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,14.72607014006082,15.449069570663196,16.103867846088534,16.69931720530663,17.242281307435135,17.738315293641495,18.19208159765959,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_30,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0679046237104347,0.3952447643793728,1.5180895559279788,3.812737156251735,6.260730776275235,7.915356122636068,8.78623956598034,9.192888494229184,9.34531144119576,2.9487869838475618,0.2838229884623529,0.0045941974781904,13.171087487592144,4.123207704998173,7.999642798274936,0.5867561195966405,6.70841046943071,14.696577652030756,0.718317562211405,7.330067859412152,0.9889784484451806,27.296101059632235,0.0179986094384007,0.5328452960339156,-0.0777071737476801,-7.330067859412152,-0.9889784484451806,-0.5647646989357469,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,14.394625036343902,15.213758328757002,15.940627409899616,16.589302760117636,17.171151355427064,17.695348290101382,18.16935166417436,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_31,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0679245276934705,0.3958942877464234,1.5225749405130165,3.821337395210232,6.270651863182545,7.925502605717901,8.796412609706302,9.203061991255268,9.355483730320604,2.9563384334001945,0.2841628709659565,0.0045950095384975,13.204387920755186,4.148110382091301,8.015351081797453,0.5917024003497466,6.725730337278415,14.732122519798876,0.721584666118422,7.394531732396072,0.9932219726268688,27.40830289203711,-0.0268931741269091,0.4348741974153786,-0.0836001743897072,-7.394531732396072,-0.9932219726268688,-0.7731665257474176,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,13.88466859082528,14.773906837546278,15.55911005138838,16.256495791224868,16.879197030052477,17.43782247806138,17.94098793558677,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_32,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0676987809668372,0.3958708003955458,1.494808533600431,3.7279561113738353,6.116267158528447,7.737997761709747,8.594131803908335,8.994488986151383,9.144649776069596,2.8873096078014737,0.2851285368164381,0.0045012719877221,12.598718830536846,3.962337917754248,7.570425314421062,0.6842502367580912,7.461059428635709,16.573714381879153,0.722781670072595,4.819267645560543,0.897471343809126,27.038492124347886,3.5954998224126924,8.459704669830273,0.3302239728843957,-4.819267645560543,-0.897471343809126,13.298972722760915,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,13.95092117453052,14.765628632756563,15.49770394800526,16.15871006385772,16.75765510109927,17.301794952439405,17.797147396677637,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_33,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.06750215146848,0.3965504126593604,1.4981291473458187,3.732447183546221,6.122186138190086,7.745308984061702,8.602281489146506,9.003049867772742,9.15336761962944,2.891458509314859,0.2853659912961816,0.0044690582494348,12.607706681614951,3.977840638113311,7.577697959974299,0.6912560179953966,7.497883314212093,16.65579795273877,0.7265869786929445,4.844611228189522,0.9014106179744652,27.171518173964248,3.61369957496845,8.502201428152263,0.3316590107528215,-4.844611228189522,-0.9014106179744652,13.349039296059937,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,14.809619891906658,15.524739748304174,16.173575762549714,16.764286833774566,17.303309662063086,17.795934968848346,18.24666119231264,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_34,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0680522120185461,0.3956185004942794,1.5177901879850224,3.810302457148995,6.255191396504433,7.90769206289584,8.77750768422164,9.18367442118542,9.335919575409957,2.9473011194450724,0.2842086149357636,0.0046105205145402,13.143699408478946,4.117544809282478,7.981920032912399,0.5844501501138377,6.69382169220417,14.662023285305189,0.716970862252343,7.340857736920631,0.989592673490814,27.26721773355869,-0.0148624472449231,0.4599673640462095,-0.0808795055895575,-7.340857736920631,-0.989592673490814,-0.6575451409078235,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,13.77192340830922,14.67228883002752,15.466086428035837,16.170340591103837,16.79873089302803,17.362228530854953,17.869686455288864,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_35,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0675786240875258,0.3944555632871941,1.513817967139731,3.804997139504223,6.252015012984145,7.906771768881201,8.777898700264737,9.184695552504124,9.33717911973427,2.941924925833439,0.2832799486303051,0.00454302196803,13.134313951848265,4.099988553482901,7.9776344787193505,0.5792236573503734,6.696825313531972,14.672877436134614,0.7159794739302423,7.283657064263258,0.9861641451187204,27.21852789304376,0.0507424899007594,0.6044514839937049,-0.0733539688414106,-7.283657064263258,-0.9861641451187204,-0.4081426039640994,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,14.073119546302944,14.923802962200012,15.680692866005272,16.357016263539425,16.96382675005547,17.51028248443471,18.00398160266979,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_36,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0677046140736717,0.3969361667728272,1.4986725919053014,3.7327293270895807,6.122213203809977,7.7453452806228995,8.602385036308041,9.003199121460588,9.15353630377026,2.891874873015709,0.2857311445303436,0.0044966148412247,12.616414143852865,3.97680892650295,7.581253268028187,0.6888478708135574,7.490361181609151,16.640844112247084,0.7245614756257891,4.801913305541001,0.899457008806563,27.11078567173625,3.646122149801079,8.573532952763843,0.3360559845085185,-4.801913305541001,-0.899457008806563,13.513093482631785,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,13.998159547342336,14.802882250328032,15.528453115075656,16.18512957986421,16.781101132045745,17.32311411043308,17.81687055230309,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_37,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0675527461739597,0.3965314326985991,1.4976951946201504,3.728854169793207,6.114524455917644,7.73491192740547,8.590466444449003,8.990577966028749,9.140650344018123,2.889222352149213,0.285361993256779,0.0044781299481572,12.580487967897648,3.968431556771712,7.563120411244718,0.689354200422663,7.483246369881856,16.62402907013039,0.724029388874854,4.808987743804556,0.8996260272119591,27.097692607347746,3.629026660030567,8.535532874823605,0.3342823282596625,-4.808987743804556,-0.8996260272119591,13.456545485816047,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,14.4326267377609,15.196352282308334,15.885320285325848,16.509505074549725,17.076705428051817,17.593247633195634,18.06442767197877,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_38,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0679538651083497,0.3965554635994965,1.524640741443207,3.824213672219517,6.274055414949788,7.92921708766784,8.80027480158942,9.20698887709142,9.359434124946032,2.958990597197269,0.284572919810415,0.0045958081384493,13.217848847903817,4.157075874029123,8.02203133412803,0.5947227565879137,6.717167803727683,14.712385291400269,0.7211080253966411,7.401419840401119,0.992746427066484,27.38896794071692,-0.0436143351968364,0.3973660108306263,-0.0855315045841794,-7.401419840401119,-0.992746427066484,-0.8434156086118021,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,13.810213528448283,14.710244050977444,15.504147133696168,16.20859037020467,16.837066135413995,17.400462428784373,17.90760935606945,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0080_39,RSM0080.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0677433975830739,0.3949304889680219,1.5125274748140476,3.796273477115895,6.236367377650553,7.887238444154195,8.75653407099005,9.162520350395264,9.314706964427408,2.93599242406558,0.2836633909749442,0.0045665292574916,13.061907625895149,4.080944164997656,7.939653793999596,0.5795304435479677,6.709580541381991,14.699970321682216,0.71916772395997,7.336417468063846,0.9876995701285896,27.29997490269377,0.0189570939277563,0.5342719416996141,-0.0783546158352318,-7.336417468063846,-0.9876995701285896,-0.613306990138293,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0080,13.496896184641578,14.418417960710414,15.23447086234539,15.960513146459816,16.609395659377753,17.19170653008926,17.716177175879732,[Cu].[O-]C(=O)CC(=O)[O-]pcu.cat0,"linker [O-]C(=O)CC(=O)[O-], nodes [Cu], topology pcu"
RSM0430_0,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0086339491240376,0.267787988749707,1.365991161365868,3.104642357626721,4.667747573991514,5.651578392302813,6.155539145263427,6.388368186176639,6.475278547183018,2.4980883634077955,0.1562462917220433,2.015177535343815e-05,7.42557691653408,3.146625912824119,4.307493957759852,0.6151738919878225,17.02688955217468,38.99227217837958,2.0000000000000004,8.97311044782532,1.8780341492822672,72.8655522391266,-17.02688955217468,-38.99227217837958,-2.0000000000000004,8.97311044782532,1.8780341492822672,-72.8655522391266,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-19.0,-42.927345,-2.0,7.0,0.9999999999999998,-73.0,RSM0430,19.12395547724916,19.685201110438765,20.14561019553508,20.52652820811149,20.8443381287478,21.11165472332784,21.33824294653817,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_1,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0086381040354366,0.2681974467870683,1.367770627051094,3.106368637650682,4.666956491664581,5.648009582073934,6.150210896488597,6.382153617405299,6.468721524719286,2.500152513081003,0.1564655401421526,2.017521444366681e-05,7.429128525456058,3.1523710785627235,4.307076773523621,0.6163654298696732,17.026537445851975,38.99156995513489,2.0,8.973462554148023,1.8781908365958715,72.86731277074014,-17.026537445851975,-38.99156995513489,-2.0,8.973462554148023,1.8781908365958715,-72.86731277074014,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-19.0,-42.927345,-2.0,7.0,0.9999999999999998,-73.0,RSM0430,19.196444161124145,19.748248021846887,20.20072970989765,20.574989041395824,20.88718811711006,21.14975473961912,21.3723000670926,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_2,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406266814822148,0.4821776357749103,1.2859489064165468,2.705614367486098,4.218930440585027,5.267853983736528,5.828678342963169,6.092520893578486,6.191730358666335,2.177914505573467,0.3826932698250773,0.0201300383742282,8.275727041959104,1.893817182472436,5.442812326732652,0.1490472757357968,4.688405670342007,10.132958315312091,0.7590968726447967,10.76118065150038,0.6630338870931995,29.694752733425727,4.688405670342007,10.132958315312091,0.7590968726447967,10.76118065150038,0.6630338870931995,29.694752733425727,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0430,3.579208256887993,4.247373230190902,4.935433126738936,5.626198549726468,6.306307488237414,6.966247115316694,7.599889420198919,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_3,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406273679307257,0.4736947411141983,1.1886463624586685,2.3236828166365,3.42322198485206,4.146571898649565,4.524531920722057,4.700627400196886,4.766584212063987,1.9168969299549263,0.3789677621836367,0.0201435157851545,6.679624530663219,1.327453879951204,4.54490129444488,0.0827284257825834,4.045016249440597,8.7891939975849,0.700299551423405,9.647412660827836,0.4869705720821809,28.79588735243537,4.045016249440597,8.7891939975849,0.700299551423405,9.647412660827836,0.4869705720821809,28.79588735243537,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0430,3.57724595461703,4.241004029062053,4.924601529417085,5.611091428325207,6.287320103251027,6.943909970713478,7.5747946714205,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_4,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406757454206272,0.4695832215959281,1.1611543165672986,2.3060250186486484,3.47621802786553,4.2690246118221085,4.688616497416227,4.885161425606876,4.958936398048329,1.8873328254348984,0.377071746105111,0.0201675815473831,6.562440239406458,1.268480359498216,4.514138149936103,0.075736285050707,4.960996233384448,10.855906474163351,0.8001578499630707,9.427011677979085,0.5043767694786728,32.03546005411125,4.960996233384448,10.855906474163351,0.8001578499630707,9.427011677979085,0.4444762561062226,32.03546005411125,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0430,3.599903071833721,4.272408849246923,4.963147392791958,5.655058433816338,6.335106480348645,6.994137314198565,7.626336492253181,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_5,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140445603785426,0.4812901556237676,1.2816059100244963,2.6782931812814974,4.129479261983579,5.120417919181151,5.646945913075651,5.894032494672965,5.986849990461963,2.163581035121894,0.3822358144679942,0.0200757498916561,8.13937881096664,1.8815421851376144,5.312048901335388,0.1410549382279373,4.632954318336772,10.01491591348633,0.7518680407671995,10.647898644474369,0.6519120952213641,29.46599126202011,4.632954318336772,10.01491591348633,0.7518680407671995,10.647898644474369,0.6519120952213641,29.46599126202011,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0430,3.707104773122072,4.371299880964624,5.053983715341252,5.738528847570163,6.412015856003917,7.065252426662995,7.692327209394748,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_6,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404635273388393,0.4674708178339924,1.153722955237164,2.348136713725218,3.6158177981804056,4.486501037257413,4.949391947271389,5.166570070067157,5.248138995783955,1.903812352800208,0.3760158498058283,0.0201061975157736,6.882592180887183,1.349185141256055,4.6546448837975145,0.0716188325068818,4.517417844780227,9.763296892634711,0.7313067903291597,10.367872167413504,0.6390507090600261,28.604386099140047,4.517417844780227,9.763296892634711,0.7313067903291597,10.367872167413504,0.6390507090600261,28.604386099140047,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0430,3.616387380329634,4.27499105723439,4.9528173151319335,5.633319155873802,6.303696195526037,6.954827814908554,7.580804236359121,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_7,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406572744899784,0.4715996619443036,1.175133288639517,2.323265956982034,3.480821139408952,4.26154891729208,4.674343239421131,4.867670034583145,4.940235230039899,1.905942721259139,0.3779848966939161,0.0201594147485412,6.583542160607304,1.29892776768596,4.511770032819227,0.0820109439340181,4.620319803016775,10.031180646062952,0.7547051344132731,10.113479270353483,0.5838644357198269,29.961109654403582,4.620319803016775,10.031180646062952,0.7547051344132731,10.113479270353483,0.5670114335683906,29.961109654403582,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0430,3.631592739019241,4.306266469298183,4.997939453523717,5.6899230616374,6.3694648028730905,7.027614538531216,7.658700717141487,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_8,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404625908454808,0.4811111562816804,1.2807611556920362,2.6757467919177604,4.123340303868961,5.111190084891013,5.63595539560728,5.882194187693761,5.974690353382496,2.161889645340223,0.3821578046708469,0.0200811454417084,8.128383162903187,1.8824993441134208,5.299380281128767,0.1400912294629356,4.627116668498368,10.002350844944736,0.7509730430597334,10.634901012976236,0.6509924617447732,29.43252967168951,4.627116668498368,10.002350844944736,0.7509730430597334,10.634901012976236,0.6509924617447732,29.43252967168951,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0430,3.694464362505838,4.359347298219422,5.042625018513324,5.727704656870971,6.40168920761345,7.055399485173451,7.682930885128839,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_9,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405473787598509,0.4674287828587766,1.151906050352026,2.340528182610004,3.599988478651957,4.464653742021336,4.924329843646378,5.14000431386744,5.221009737976109,1.8986927768230504,0.3760704995117872,0.0201299880681294,6.838417422067434,1.3340276459441267,4.633306701654379,0.0710067924402244,4.53294727607328,9.796862229683375,0.733822979065802,10.403531108599696,0.6412434521042304,28.702872154239746,4.53294727607328,9.796862229683375,0.733822979065802,10.403531108599696,0.6412434521042304,28.702872154239746,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0430,3.6134132373652417,4.2708133937677975,4.947585503671777,5.627204589480405,6.296874868204218,6.947467766872503,7.573057837545621,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_10,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407100380708688,0.4718987749622805,1.1763423445850305,2.323116603102484,3.4766439028197653,4.253824268850469,4.66456419029311,4.8568944590684575,4.929080464249898,1.90668553263629,0.3781671858880326,0.0201739202918423,6.571826653705595,1.2975391589661778,4.50478868090902,0.0826541647667974,4.222382851503496,9.178209835005244,0.6911936200465075,9.120760036281505,0.5167744343915728,27.54214133527836,4.222382851503496,9.178209835005244,0.6911936200465075,9.120760036281505,0.4972381651469951,27.54214133527836,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0430,3.6316496862333656,4.306326673576193,4.99798338736121,5.689924170089765,6.369382302698324,7.027388956154323,7.658252563962484,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_11,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406315374149136,0.4820490945463059,1.2859246269868785,2.709160961988441,4.227263073483141,5.279084146411628,5.841250002586634,6.105671297632579,6.205089679924723,2.179851823906044,0.3826284042405139,0.0201318805617642,8.303511337628567,1.9002338998919728,5.4599322243084885,0.1491909523421295,4.963703355357882,10.740446722288116,0.8157873692108898,11.490002309045,0.67924667586384,32.286599067972865,4.963703355357882,10.740446722288116,0.8157873692108898,11.490002309045,0.67924667586384,32.286599067972865,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0430,3.578672622506858,4.24606406420782,4.9334266304371335,5.623593622028544,6.30321197515256,6.962767209068405,7.596122928285813,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_12,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406349636011329,0.4733792695219996,1.1869580753820872,2.322286452300462,3.424257224536496,4.14998805449319,4.529394316103497,4.706206950181973,4.772439196854654,1.915073068020656,0.3788172282845682,0.0201465747063653,6.677463687088307,1.3255167736115,4.54275349200317,0.0817716651402814,4.045861237446574,8.791776921874028,0.7011702728125364,9.655223419946864,0.4857139891402196,28.85261290964468,4.045861237446574,8.791776921874028,0.7011702728125364,9.655223419946864,0.4857139891402196,28.85261290964468,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0430,3.5856786249028523,4.250330699375572,4.934562992292376,5.621459167829098,6.297902490461597,6.954552334103727,7.585376102255895,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_13,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406634172127833,0.469285978339312,1.1586817475711684,2.29740950877596,3.458579254129171,4.244259331746624,4.659851753022028,4.854479335106636,4.927528062193401,1.8813283136668808,0.3769275773542022,0.0201643670509344,6.53142554119711,1.2550980840002528,4.498099682910884,0.0737066227696632,4.920651439053534,10.764087419133144,0.7943843464295535,9.416842646338305,0.5052577622498843,31.8003114394375,4.920651439053534,10.764087419133144,0.7943843464295535,9.416842646338305,0.4477208900261424,31.8003114394375,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0430,3.5997207983414405,4.271916032308309,4.962297000669008,5.653844917729085,6.333552900359932,6.992283672442798,7.624230725199157,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_14,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1009775036423183,0.7260881873906937,2.1696763046698804,4.073636176287919,5.752248361554187,6.82613143830231,7.382831269062516,7.641542212275087,7.738356004099282,3.4229715984268942,0.5225461565744268,0.0036707313815129,11.072864925014224,5.446903591864632,6.679371825603004,1.7188934575737929,0.5907652766454616,1.276951875133995,0.095788736924102,1.357075172038278,0.083286666374539,4.8696011217093504,-0.367122092595559,-0.8309290910240718,-0.095788736924102,-1.1334319879883756,0.0162345505276676,-4.8696011217093504,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,7.926401000928212,8.708902005469813,9.479029079815808,10.233477766050056,10.968480073424317,11.680320078644758,12.365738281857531,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_15,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2151242136044747,0.8908517166352947,2.1217582109311457,3.9116418758797,5.641221356730283,6.783112358109289,7.3806549604136125,7.659204032555863,7.763554830580268,3.273215043618304,0.7012313404004165,0.023113632755232,11.065578987081055,5.232495361397727,6.609819147531251,1.6342185374396023,1.7092361344849292,3.744907341208143,0.3259835078206065,4.317104197049781,0.1493910026821561,15.065850828836776,-1.5505989437211365,-3.428529259808372,-0.3259835078206065,-4.1584670062859885,-0.0787974527922681,-15.065850828836776,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,9.39543571773224,10.164418565580432,10.914783639067474,11.641229983401338,12.339346551266084,13.0059008476225,13.638841279440165,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_16,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1046077002178103,0.7369380043522246,2.2054117507597746,4.154473324795717,5.813157667386139,6.837256648952185,7.357855440285107,7.597604331712364,7.686982220636409,3.4934425706845142,0.5320211215114059,0.0039071692267228,11.543009351152694,5.773164775053992,6.842160497947144,1.772443382669761,0.5904664661048622,1.2197720862393953,0.0409067706066511,0.9177206309580712,0.1860573825291928,3.770467742657333,0.1813987600383509,0.3195973275193218,-0.0409067706066511,-0.145855404814858,0.157422643104537,-3.770467742657333,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,7.824013409271405,8.601407638565442,9.364073549869907,10.109955096145056,10.836284927902868,11.5400611640484,12.218475286282338,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_17,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.214932167601129,0.8894170854210296,2.074337727135339,3.635343654402981,4.993823229730559,5.832220396886611,6.256373175427511,6.45109301338573,6.523576816888753,3.0994637785111774,0.700589035358258,0.0231199625754665,9.369829413344611,4.73989217525718,5.635279113020394,1.5775794433256585,1.823305561389175,3.954905284596311,0.3090133347298368,4.295412239227869,0.2319709721997386,15.29679450154261,-1.2668277859091936,-2.8450938330678093,-0.3090133347298368,-3.738934463747889,0.015661637888853,-15.29679450154261,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,9.495649882250802,10.25261464664094,10.99259300168989,11.710064857550634,12.4004165186271,13.060236066300828,13.687317047488628,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_18,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1084206827813364,0.7269099867310413,2.019220811138664,3.581650197302591,4.839429405826426,5.597966051905481,5.980170508791228,6.155584960300567,6.220893057654135,3.06500040469618,0.5324676266111773,0.004079786221888,8.650427647882683,4.3562128085660445,5.540412469936089,1.4941059403639518,0.8764385483776754,1.923569536692192,0.1703614103987105,2.2393298315673595,0.0705875095304832,7.789420949862586,-0.8271755556094298,-1.8253218870648409,-0.1703614103987105,-2.1900668387991136,-0.0486654777486139,-7.789420949862586,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,8.006975691945469,8.79774564985554,9.574367612503552,10.333636125552008,11.072001717964715,11.78595899029112,12.47242838979947,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_19,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2145123681159844,0.8845306948707469,2.050892042956554,3.6144134173359976,5.025638511374305,5.921989868821941,6.382576542743696,6.595566852240536,6.675095233041107,3.071478931850671,0.6977072118833824,0.023104252447372,9.17735058462641,4.643929130433331,5.581394334699942,1.5509965513620596,2.0925674824085894,4.599301044812729,0.4131764835172887,5.3979793505468985,0.1564866230769057,18.72636708238872,-2.039197352764298,-4.4928623267566365,-0.4131764835172887,-5.344609220902608,-0.132736915385196,-18.72636708238872,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,9.540967621423734,10.304937465039371,11.051043088025793,11.77352802884677,12.467731931022746,13.130304927009366,13.759156990395562,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_20,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1575657103110303,0.7767648640870155,1.8701171896998896,3.5033141044843408,5.186350811998876,6.334648808177226,6.943591180801933,7.22897845549153,7.336116554371924,2.9064005811698244,0.6013022243915243,0.0101986627020541,8.40042050880806,4.198251428428422,4.900957185760748,1.245749337864679,1.536118266545839,3.1337636997674294,0.0639631776853005,2.00770236511888,0.5583327596894174,8.856685770382558,0.925144577485236,1.7892843263577414,-0.0582315601268201,0.3991101121066304,0.5126987926759351,-8.676139817290425,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0430,7.073807004719748,7.904944072376878,8.727136839423462,9.53278004979445,10.315959658732812,11.0721065441634,11.79781891067535,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_21,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1546703443023908,0.7884620771254531,2.008078387485164,3.782903440729868,5.447206509267409,6.517277830192664,7.069264085094218,7.324870427357028,7.420359545750507,3.154696465762424,0.6046072452568699,0.0095132594004811,9.41106550823788,5.096457654388759,4.987643396167034,1.396643974587923,1.742853044358102,3.550516535277624,0.0422197161716035,1.7874064149043438,0.6576104172942951,8.804705479668502,1.5300875675182002,3.082315039686624,-0.0003333791963768,1.087613995707305,0.6217736654278888,-7.485285864948861,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0430,6.96372259094996,7.738806096960013,8.508399552740306,9.267363666514392,10.011057170756358,10.735278698650776,11.43638076388035,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_22,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1181530830080325,0.566539251944761,1.4290148492410537,2.6780273775936294,3.829718657914363,4.560006308213296,4.933711302748568,5.106088086620328,5.170376675413104,2.238240105550336,0.4376228695034089,0.0082158499533634,6.02605690984778,1.909872966502958,4.65428827461182,1.0960771805580545,2.3249920026245827,5.11626580135953,0.4649984005249165,6.044979206823915,0.1627494401837206,20.924928023621245,-2.3249920026245827,-5.11626580135953,-0.4649984005249165,-6.044979206823915,-0.1627494401837206,-20.924928023621245,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,12.446907808072224,13.25769357674817,13.96456424034372,14.585475119060092,15.135963436684012,15.628927733802543,16.07480428186338,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_23,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.102026219826719,0.7287838390394549,2.1719665417069915,4.085071811676097,5.772092661307411,6.847122506999803,7.402745570598936,7.660553427221853,7.75696335400325,3.430384381836406,0.5251245143265645,0.0037561761247424,11.333057890967416,5.492056798586337,6.815606760104664,1.72221581266533,0.7042851026919278,1.537209692977072,0.1286298856688353,1.7333241880426105,0.0722258350688415,6.094023226836347,-0.5820137539964257,-1.293357828706198,-0.1286298856688353,-1.6110528393471086,-0.0178150848993431,-6.094023226836347,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,8.0771391007251,8.84843857910442,9.605720699322696,10.346871080265558,11.068893093131592,11.768530073855516,12.442763344445616,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_24,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2136509065041066,0.8883228678704488,2.144119378077383,3.973697928339994,5.693110605280444,6.803527475004017,7.37815984854328,7.644695195353394,7.744339816839091,3.326098121661324,0.6982310298949856,0.0229586243603457,11.242840944636638,5.518784566429585,6.5844455396575645,1.6777399893952796,1.827595421667292,3.977383460452506,0.3225172706863589,4.407733587158162,0.2085600801050218,15.588322522063637,-1.397577285196297,-3.119776789981578,-0.3225172706863589,-3.977715450687168,-0.0172020093754291,-15.588322522063637,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,9.568573617560633,10.32711886056327,11.070112294015646,11.791293840644151,12.485489531163353,13.148900372715184,13.779079402588136,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_25,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1022207405694564,0.7315009399928458,2.2128842601650947,4.187597929540051,5.876694281745066,6.924323436035456,7.458264244575137,7.704461312463003,7.796291234134842,3.516881039419015,0.5263364349316811,0.0037604451565515,11.480305117855965,5.973366854287269,6.706767847671384,1.7873731781076951,0.614925752308786,1.255414528176673,0.0281639887679514,0.840237662452398,0.2208344808375008,3.63790853690296,0.3332858646292714,0.6356513100637415,-0.0281639887679514,0.1079739544856595,0.2011196886999348,-3.63790853690296,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,7.695185302138634,8.497755786425769,9.287049205462136,10.059085300579548,10.809889743354152,11.535778441469486,12.23363105268952,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_26,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2156254467768612,0.8883996540589104,2.068621683652922,3.720240875746203,5.262726757223597,6.25520033699747,6.767321828743265,7.00448658901654,7.093087813120838,3.137793290824624,0.7009629966491011,0.0231505931537692,9.856558357079546,4.971665788040534,5.862429325321136,1.5834076416431644,1.6562283803967277,3.5950555239307125,0.2831751908191945,3.921629906950284,0.2060681464905539,13.944645718367523,-1.1755235277952176,-2.63636180114489,-0.2831751908191945,-3.440925054348773,0.007845512917118,-13.944645718367523,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,9.64342101128241,10.390922602419362,11.121004397887129,11.828693882409016,12.509696744314809,13.160770058562184,13.779779690093518,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_27,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1077892585743639,0.7249795320618294,2.027250745400268,3.681443326032318,5.112221219083825,6.015324724361848,6.480034908820479,6.695239530704985,6.775652870638716,3.120217280275727,0.5307138633278933,0.0040401613694055,9.20534824218534,4.575605511852559,5.797439007032857,1.508486940114443,0.5053545045065646,1.074178129905571,0.064329515565226,1.019990629028373,0.1042649128206224,3.813362833837344,-0.1379406511456956,-0.3414263114553219,-0.064329515565226,-0.6525767756675037,0.0592342519249642,-3.813362833837344,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,8.009822250972668,8.800718051024068,9.578140492202172,10.338624767444056,11.07841301410216,11.793844644279494,12.481732576602443,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_28,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2138128852049591,0.88344370970894,2.060727860359184,3.676992132501924,5.17224177394225,6.134806779849868,6.6323444490267205,6.8629958660239305,6.949205121905862,3.1103191037563858,0.6963254458468029,0.0230567474414786,9.589294711615224,4.790529851723631,5.79242594931703,1.5657961315602846,1.926571274437869,4.239250190109615,0.3850522971983314,5.0069896520245205,0.1353511598779801,17.333902316155974,-1.9239516975454447,-4.23402583693421,-0.3850522971983314,-5.004370075132097,-0.1341854481608515,-17.333902316155974,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,9.557241432180591,10.322004192628444,11.068839905645408,11.79193897573654,12.486603259851677,13.149467098234783,13.778442812440709,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_29,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1568558022027626,0.7773021818056732,1.9024054672604285,3.5479863375996348,5.160206052752355,6.227212176183444,6.7852399284009,7.045206229167787,7.142564098437731,2.9570554217255616,0.6004002318064272,0.0101763201462014,8.610563010026382,4.31660582995273,4.87546662397362,1.2604183854883697,1.534215520822383,3.1220861462377654,0.0594927095249295,2.0008714098187994,0.569948367778604,8.837054056088455,0.9459211307181028,1.8275137495050109,-0.0581661684959266,0.4666631019461595,0.5281044899568029,-8.795268013674864,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0430,6.993874923160636,7.793652723060325,8.585537902941672,9.362737297771949,10.11999459810214,10.85320337879695,11.559220797233658,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_30,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1589981384820934,0.7794456101992472,1.866002149323165,3.406193796151764,4.913330744122324,5.917144739994716,6.444467390896145,6.690681587472888,6.7829790066583655,2.855045419530724,0.6036968231711927,0.0105121464665515,7.790416027779119,4.183468946187243,4.475228996484545,1.237727969561197,2.0894711024901955,4.323470190764732,0.134351316376301,2.996470987918479,0.6557009780496522,12.702868751337247,0.8658226855715603,1.6307682196175952,-0.110378367007426,-0.2689202188610345,0.5580591141809105,-11.947720846217686,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0430,7.139110817443826,7.98491021137001,8.818188871102047,9.631212538627157,10.418315256425208,11.175412661862756,11.899689058883464,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_31,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1187185426726043,0.5683005195536097,1.4343631325626855,2.707084912118581,3.907486026054803,4.681443803804973,5.081016521095128,5.266086203705648,5.335228495043314,2.255599407196534,0.4391035957928656,0.0082599919763441,6.113943551311989,1.956285070528596,4.689440557968907,1.104273547782041,2.1231690505712564,4.663730813460267,0.4164737659707289,5.454959178337088,0.1639219163090923,18.94532057227086,-2.041568609136033,-4.500990973083928,-0.4164737659707289,-5.373358736901864,-0.1276097198704176,-18.94532057227086,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,12.484135116539711,13.290231355565718,13.99311816041499,14.610604450137057,15.158117111951732,15.648474008073842,16.092052353531482,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_32,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1019909672548975,0.7286255880391532,2.171357710150939,4.083869559405627,5.77179625687682,6.848422334757729,7.405183457736619,7.66358927227884,7.760233936883729,3.4292738562340688,0.5250052531823629,0.0037539987637184,11.322625901793852,5.483205725923836,6.814335754743354,1.7209671126251014,0.6827550446044472,1.491792977634932,0.1262261805686197,1.6925644891534053,0.0671519062828169,5.938298834394633,-0.5795067610817506,-1.2858797633914418,-0.1262261805686197,-1.5893162056307086,-0.0212064201152168,-5.938298834394633,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,8.06901544526416,8.841776412393283,9.600263999015016,10.342431569841256,11.065322752409124,11.765706143831652,12.44058047434532,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_33,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2136115425334183,0.8881720421880746,2.144439510538755,3.975573899439086,5.696278277057745,6.807390858074961,7.382353923969845,7.649037796444993,7.748737294967003,3.3274166009153463,0.698098751028664,0.0229596051567022,11.233520269249558,5.52182642823813,6.579707409025047,1.6780878133395052,1.817527883649544,3.955171385268561,0.3204475713252955,4.381108454251907,0.2079607119891178,15.49659084475363,-1.3869478296034117,-3.096444054481657,-0.3204475713252955,-3.950528400205776,-0.0163525879385887,-15.49659084475363,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,9.545214579722916,10.30687549532956,11.052406000909208,11.77568903420146,12.47164964134177,13.13655912915964,13.768021870444384,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_34,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1021388648981056,0.7312031917650973,2.2119669511763,4.18580606309092,5.874239907647239,6.9214420930685,7.455150386062939,7.701235957466382,7.793023545322374,3.5153683072396573,0.5261005737715622,0.0037542277785568,11.45602073771852,5.963631030396344,6.697056937846065,1.7860649261258124,0.6156528288021361,1.2566317229409203,0.0279381420348786,0.8391579650811654,0.221581492501553,3.6370269847082537,0.3362714084533494,0.6418383796295571,-0.0279381420348786,0.1127662721743202,0.202024793077138,-3.6370269847082537,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,7.686047723778393,8.49017798165058,9.281078414755084,10.054654779892967,10.806870478171756,11.534012265662971,12.232951450957431,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_35,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.21571350501579,0.8883621347966146,2.065350984887554,3.706700001032694,5.238551831048575,6.224557155421394,6.7335096636675225,6.96924787819602,7.057322883274921,3.128218501012595,0.7010234420004583,0.0231746754334488,9.786592863594429,4.929714135632612,5.83431493014402,1.5775263054291675,1.6489004971184595,3.578721962615339,0.2815077023376483,3.9009621158196457,0.2059337793346238,13.874656532345265,-1.1661765262580237,-2.616001411329829,-0.2815077023376483,-3.4182381449592114,0.0088783876982701,-13.874656532345265,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,9.655628742373498,10.401620624704725,11.130445493789049,11.837088222042318,12.517216691584755,13.167555673060736,13.78594420867285,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_36,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1077287266983668,0.7247771339078589,2.025029556573552,3.666668866749206,5.0797184670250495,5.970658363914879,6.429142558453251,6.641498351319267,6.720854359284818,3.1110124540517474,0.5305518404146488,0.004035662381589,9.117274097916,4.537926471877686,5.75521008437671,1.5047391082377255,0.5250158585536132,1.117900027540236,0.0687041348132779,1.0746489370598369,0.1048118042814617,3.9991619890336247,-0.1620254895791662,-0.3939701851760477,-0.0687041348132779,-0.7116585680853896,0.0567189099121672,-3.9991619890336247,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,8.01294745094018,8.803612084445346,9.58079140884766,10.341035016303977,11.080594050560329,11.795812957158818,12.483506943219227,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_37,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2137958052281229,0.8833851279940086,2.0601974077991105,3.670522368377101,5.15593318542467,6.111068446273047,6.604589370150939,6.833352284561222,6.9188523022062745,3.106652961668677,0.6962534766684012,0.0230661804891447,9.53744461595152,4.771015226182085,5.765739552083233,1.5645486009325325,1.932307309544672,4.2519620793293225,0.3862862596278466,5.022597386567444,0.1355900159451663,17.38726174028029,-1.9305552867337945,-4.24846793263645,-0.3862862596278466,-5.020845363756568,-0.134810365794326,-17.38726174028029,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,9.538288860119332,10.304006993759751,11.05183982925206,11.775947879803248,12.471606872843669,13.135430527015272,13.765316215863171,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_38,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1567785852687976,0.7770938496642139,1.9026950254568435,3.549488912242106,5.163071123386805,6.231270699276999,6.790045294426172,7.050390635544484,7.147895675180778,2.9581223963122945,0.6002024479294458,0.0101719383037238,8.621713405423447,4.318233682384963,4.8828174214480535,1.2608636962537652,1.5081051896171187,3.0641460010921824,0.053678882429359,1.927053217788208,0.5690717751519868,8.587147230565902,0.9788042447976594,1.899391748367831,-0.0521813065345328,0.5456292456257209,0.5312719210672117,-8.539973589878876,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0430,6.996500719557653,7.797339774627751,8.590249658879442,9.36840961605852,10.126540942165024,10.860521549856,11.56720002589964,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_39,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1591076358040004,0.7796867054871541,1.866101969139868,3.4048425633729464,4.90914222866603,5.910459891180093,6.436314254372668,6.681810117724112,6.773833182918316,2.8543977831680647,0.6039182179464174,0.0105259034074403,7.769248392390711,4.19025884768496,4.45896755650308,1.2374733054414435,2.098177538242009,4.34295070127197,0.1356849506361848,3.008859012401944,0.6561501836786348,12.7551057958292,0.8661838396869781,1.631884503929299,-0.1107137890748214,-0.2817236693059091,0.5574250439991009,-11.968514206646253,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0430,7.141727119402712,7.986382660872596,8.818826481286306,9.63121243542971,10.41780957404914,11.174496180878217,11.898434726511088,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_40,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1186958731359458,0.5681909105448926,1.433535977080166,2.700587974828382,3.889195106109372,4.652574170488559,5.045886323580643,5.227886109163849,5.295854875609601,2.251922218343222,0.4390235951568442,0.0082588605936421,6.086728609555842,1.9465153795879464,4.675174661762355,1.1032861157213971,2.1335201607154173,4.687383272366546,0.4193919941065092,5.488656113567491,0.1630564825686558,19.055440685707268,-2.0603997803496745,-4.541555641784127,-0.4193919941065092,-5.415535733201748,-0.1305179133059003,-19.055440685707268,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,12.475367466034166,13.28243802726666,13.986218634304286,14.604500185365268,15.152706873304323,15.643662064124166,16.087752386581958,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_41,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1010538968501048,0.7263976359339083,2.1696977809750786,4.069345305288081,5.741140553500288,6.809983966489501,7.363980339640538,7.621423706338358,7.717761914498827,3.420680741068793,0.5227916327426448,0.0036759517772781,11.03673888587402,5.438985989446999,6.659831570150571,1.7190391884208869,0.5866766111676236,1.2671930690820912,0.0942324221878943,1.3405359886707784,0.0843853003672906,4.818031499596005,-0.3556476107113195,-0.8064403820220613,-0.0942324221878943,-1.109506988214474,0.0184226048357646,-4.818031499596005,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,7.924763311468895,8.70810160311979,9.478947344739414,10.23395648724246,10.96936573691888,11.68148186700649,12.367072504654477,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_42,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2150919544399065,0.8907852940787244,2.122113250554899,3.913593451969814,5.644264404869263,6.786263448103552,7.38365298712836,7.662082140829708,7.766380172033833,3.27457181632196,0.7011603468280302,0.0231124557719822,11.075236809924968,5.238055515048376,6.613220033602214,1.6349846757715996,1.712610058920849,3.752592555213594,0.3269111688584966,4.327899409788821,0.1491530346100965,15.101273671774178,-1.5565016296641163,-3.441257709325429,-0.3269111688584966,-4.171790980532089,-0.0796847835908507,-15.101273671774178,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,9.420850550608217,10.189326310000972,10.93920442090981,11.665132649325235,12.362681325438537,13.028616396125566,13.660892962130294,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_43,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1046234864369653,0.7370386849411776,2.206067063599997,4.155905608199588,5.8156211280235945,6.840653915804693,7.361818040524924,7.601847195515233,7.691332705669353,3.4945909686155683,0.5320802389989441,0.0039087020750579,11.541498052714632,5.778549644051341,6.8385818205408615,1.7738362158081606,0.5919113421931537,1.2229742353561583,0.0412176895017919,0.9216528582074888,0.1861173794600935,3.7839105010016056,0.1797344471752345,0.3159575446706864,-0.0412176895017919,-0.1500070688391006,0.1572649968088392,-3.7839105010016056,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,7.832336726785649,8.609388693065766,9.371738621342868,10.117295810484528,10.84328609646344,11.546712105748451,12.22477301497194,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_44,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2149137880553031,0.8892322840521065,2.073761448533689,3.6352944839015287,4.994909096719056,5.834262794467946,6.258976773584394,6.453972285031297,6.526561655800991,3.0991186501220787,0.7004727852981119,0.0231212032484491,9.36704753981002,4.740159649182123,5.632942142716165,1.5769986671099234,1.8275840879356,3.965112838089173,0.3106376391255278,4.312685200939821,0.2308293457709769,15.35067322218855,-1.278792303319679,-2.8706299424404125,-0.3106376391255278,-3.7638934163239015,0.0133829983831076,-15.35067322218855,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,9.48811996345845,10.24671818048537,10.988049132114238,11.706630645101704,12.397884582991765,13.058431952968938,13.686095871495118,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_45,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1084488979463791,0.7270093165340601,2.019480029356877,3.5819383448682727,4.839917525743971,5.598855265179044,5.981371484141543,6.156956053791846,6.222331970969748,3.0652875487836537,0.5325445566811913,0.0040822952627255,8.648947208953215,4.3571769077919225,5.538729993080353,1.494707421186663,0.8615451688715916,1.888539087535272,0.1651938196489004,2.183095726062795,0.0736491883061698,7.611602237335969,-0.790393027617413,-1.7466368146250009,-0.1651938196489004,-2.1119435848086168,-0.0419864854480603,-7.611602237335969,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,7.997449637799387,8.788876117496113,9.56601983845608,10.325716522368172,11.06444586770518,11.778723007715836,12.46548250039272,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_46,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2145831293582007,0.8846998783425823,2.05034709975375,3.610758669193922,5.017172875127292,5.909764691897546,6.368270800934763,6.580272028569073,6.6594272272367165,3.069196647024146,0.6978786382104648,0.0231077516137155,9.154924052525717,4.636104749945828,5.570515609561212,1.5502479701713228,2.0816234092317685,4.575180982770927,0.4109517236200899,5.369237198192489,0.155787935320468,18.627151518560645,-2.027893826969132,-4.468025390385437,-0.4109517236200899,-5.31550761592985,-0.1318782712135946,-18.627151518560645,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,9.535686729803777,10.30047447670623,11.04711538476096,11.769931638203737,12.464326352046156,13.126998425303036,13.755893653827496,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_47,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1577268706731558,0.7772109108662292,1.8683480773891965,3.4902702313420946,5.158392940518108,6.296158459670313,6.899510518547752,7.182283193549961,7.288440945204703,2.898139587991058,0.6017199948916454,0.0102064370501562,8.311585978745873,4.168021970260467,4.853710112874396,1.2420117803872563,1.5562668979409693,3.178116786430848,0.0686995276122454,2.0724629120737528,0.5593075922370215,9.06943879598215,0.893128912365072,1.718847165995835,-0.063928069502934,0.3316040461938298,0.5105022041920529,-8.91913786553884,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0430,7.082081574050852,7.912961180816679,8.734581966273621,9.53944801220812,10.321752963535936,11.077011091154176,11.80187613931749,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_48,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1547738494416959,0.7884467638008666,2.0070086386988217,3.782127509486808,5.450567983256262,6.525371400416954,7.080397548729906,7.337543408290829,7.433628562712145,3.15338194512148,0.6046850129074463,0.009530743061353,9.413455694953685,5.092967119538256,4.991810154868726,1.3954176043120572,1.74449915726085,3.5538598208417813,0.0428993382573707,1.8005209180727024,0.6578667313863455,8.842037835101943,1.5206293070065096,3.0612225741248915,-0.0018746317934974,1.0748728347878604,0.6216834886366052,-7.549759581489934,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0430,6.998912943079537,7.769048837856296,8.53428009996739,9.28938446253416,10.02967289795877,10.75090808530026,11.449408542254853,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_49,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1182207451426838,0.5667636966417523,1.4295578307674042,2.6802338248570807,3.835513126925034,4.569082174856505,4.944739591944088,5.118075165987361,5.182730430638628,2.239615444817613,0.4378092854730905,0.0082205061576993,6.03266755017008,1.912167946973749,4.657986824550616,1.0969041674152862,2.332050145138337,5.131797610984458,0.4664100290276675,6.0633303773596765,0.1632435101596834,20.988451306245032,-2.332050145138337,-5.131797610984458,-0.4664100290276675,-6.0633303773596765,-0.1632435101596834,-20.988451306245032,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0430,12.429001831860456,13.241648387418412,13.95009752751319,14.572346114854332,15.12397209152497,15.6179100891625,16.064626723339565,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_50,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0587358513530339,0.3667442761274518,1.2340714174412717,2.7191195021081382,4.212180006078049,5.209110265320159,5.732914902188602,5.977488028941514,6.069169979410969,2.1778386610616125,0.2644134903292682,0.0033437435370951,6.856874358382226,2.072688830890839,4.412655012699052,0.3837996448461461,5.794891438283347,12.796070358081002,0.6848412024412492,6.97082584465355,0.9495294027365556,26.82305958483684,0.3007351136930231,1.1660142513296976,0.0322913330853826,-6.97082584465355,-0.9495294027365556,3.983814157381511,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0430,14.489309188659428,15.381589258422876,16.17565500471462,16.8835965952662,17.515911751237873,18.081703809867555,18.5888826648536,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_51,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0779446558553874,0.3558299002638231,1.124957443425836,2.729637503574343,4.485254874971502,5.680686548430608,6.310939426752353,6.605339675621381,6.715698797213088,2.118196233939637,0.2714793443261546,0.0062775907550825,8.069889565139668,1.96469210770216,5.326689600188843,0.2074460388615047,3.4613493729601177,7.3151001736785215,0.3995674646371151,6.657889090057038,0.7911114747726613,17.306746864800587,-3.4613493729601177,-7.3151001736785215,-0.3995674646371151,-6.657889090057038,-0.7911114747726613,-10.662975659797471,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0430,15.911174562816672,16.544749025096998,17.105475685231575,17.607015554778602,18.059681345735584,18.47124217019478,18.84758118625728,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_52,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0596453565345478,0.3741090565450266,1.314545365189993,2.96392408844213,4.586976518110331,5.646736692495907,6.196638116654908,6.451892649792983,6.547341928375669,2.364992156800932,0.2683348101992823,0.0034607640690856,8.428771681729534,2.698000655484668,4.935857385199469,0.2938534467849892,5.278219828615366,11.523259282817136,0.6656862515429985,8.098391482930436,0.8996986921238127,25.13843996406237,-1.7290188214077349,-3.393784103211229,-0.2481331918715126,-8.098391482930436,-0.8996986921238127,-6.845240555445514,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0430,13.806375802361352,14.717187723263134,15.536382063534711,16.272833991990346,16.93503848800853,17.530871896893505,18.067504477834003,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_53,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0723366088289002,0.3620425990478254,1.2032242418897607,2.8475892419420408,4.573108263354324,5.725379024029604,6.327559521387724,6.607762611698843,6.712632861895568,2.2322706210292966,0.2700648594585794,0.0053787555180568,8.424728820572325,2.2833459208552216,5.124763909329371,0.1812408244127391,3.966536112012738,8.612710211217031,0.4432996854442974,5.534896917885211,0.7752666344485408,18.843662221222736,-1.1643174852967044,-2.194204545447434,-0.1136269058306464,-5.534896917885211,-0.7752666344485408,-0.6487684734003036,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0430,15.612372071898111,16.283345472745154,16.87951544120655,17.414129384823458,17.89710494518614,18.33597254097197,18.73655110175521,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_54,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0570708425293691,0.3672104791234728,1.2621181956779794,2.7658230333408484,4.203234151691725,5.1260375633610575,5.600921525460629,5.820535406064399,5.902530766002557,2.22599643582731,0.2631498767081607,0.0031341639756721,7.355723671017497,2.23586369032368,4.5834061169068985,0.3224641994842132,5.031930669165037,11.07252413921489,0.610160969737289,6.619125549045363,0.830943629929999,23.512606906816195,-0.3652990919728914,-0.3835647080340034,-0.0611454900676246,-6.619125549045363,-0.830943629929999,0.0168808136442215,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0430,13.755001986702537,14.703122070646002,15.553902961843496,16.316432976702128,16.999647809197633,17.611987567596508,18.16123036911009,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_55,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0791696627754884,0.3624854702653493,1.15442010870152,2.75412806475507,4.46771316408816,5.626067198769924,6.235341978894931,6.519707171963569,6.62627192201576,2.150535071601837,0.2757337041033547,0.0064693704088298,8.174174020676864,2.0855788333171,5.182875434221738,0.1747293238073272,4.408539773749275,9.402315840824214,0.5244957494495266,8.04433005899122,0.933439908999233,21.76261101356924,-3.614957517414063,-7.584608913898574,-0.4311331310571487,-8.04433005899122,-0.933439908999233,-11.684399804164396,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0430,15.730841990425676,16.363295800882394,16.92505058293186,17.428661075903115,17.883823931652124,18.29802095529639,18.67703924530074,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_56,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0565112900821667,0.366928426450623,1.2508140300673802,2.7828743513576275,4.307803854911286,5.309985044969634,5.831252773020914,6.073425352275981,6.164011624972616,2.2245407845421754,0.2633223291460929,0.0030306518415299,7.35426257962965,2.167904010359781,4.708786049318766,0.4163680480172204,4.427424612704732,9.61131027127356,0.5249544814076177,6.687452467398468,0.8303415752896612,21.16731906524005,-1.679646617567859,-3.317501336482592,-0.2016864819797502,-6.687452467398468,-0.8303415752896612,-4.265114653317821,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0430,14.56366449211203,15.442112250270538,16.22839942471705,16.932347983829803,17.562899323752287,18.12813414758186,18.63531838965168,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_57,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0815825377890574,0.3548261472964402,1.0808369150477726,2.6637815672106937,4.427569132124627,5.630784286680602,6.264546198690689,6.560360029947032,6.671207547443259,2.054263787093101,0.2743053400638145,0.0068813252353993,7.591459699472675,1.6556699205450716,5.122875899220235,0.2116638323590021,2.25830500232711,4.707101586932069,0.1971377634950178,3.835407110287252,0.6353124194824056,11.291525011635551,-2.25830500232711,-4.707101586932069,-0.1971377634950178,-3.835407110287252,-0.6353124194824056,-2.508118433015696,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0430,16.50536373475351,17.054440152266654,17.541237385078688,17.97822119598253,18.37463588239433,18.73730402266026,19.07126258863488,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_58,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0569754187888742,0.3673123173147413,1.2642739494721054,2.771320415632616,4.211331743077023,5.135856067058672,5.611705105941042,5.831789637403468,5.91396505776175,2.2304066860531173,0.2631180831089982,0.0031219400820274,7.372640326386247,2.247878001556441,4.590861752456046,0.3253096889989805,5.043766048596183,11.10084266828437,0.6082401971466631,6.561542616122156,0.8354763909931784,23.54475773815725,-0.3005606182624635,-0.2364901733527847,-0.0502160288721078,-6.561542616122156,-0.8354763909931784,0.4987898275002658,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0430,14.009277017027909,14.93000718202352,15.757131813533242,16.499196647435035,17.164653113915342,17.7615261428056,18.29724430350268,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_59,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0792260766272687,0.3626577351993807,1.1551383089563647,2.7554711369442138,4.470283653975647,5.630066338070986,6.240293538608205,6.5251497278399615,6.631905983169966,2.1516407892574367,0.2758608300538756,0.006478488011787,8.18869761918551,2.085814863108133,5.196051427749589,0.1746089694187611,4.381421692146684,9.34295027844394,0.5197488663550859,7.98237374310626,0.9305243684323576,21.628589020792862,-3.592283278981779,-7.535422012203258,-0.4269090530415676,-7.98237374310626,-0.9305243684323576,-11.504438158090002,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0430,15.548332655174043,16.203649209137428,16.78462960064075,17.304473649116293,17.77341534284993,18.19937391310298,18.58848912070539,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_60,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0565679967543002,0.3664568855996188,1.2470370284518577,2.7774951797787666,4.305562649179043,5.311385271473855,5.8348928394612045,6.078172265771362,6.169182426457624,2.219058626215417,0.2631313328883605,0.003040033342597,7.356528919093098,2.158180976474742,4.713043108855833,0.4121132227028442,4.457235216178761,9.678425015742244,0.5281898401447457,6.708217559682277,0.8347394489704495,21.298907892066577,-1.6599753478349566,-3.27127742831953,-0.1991004438690041,-6.708217559682277,-0.8347394489704495,-4.156252048414666,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0430,14.751219434706494,15.606674547423234,16.373205864771805,17.060220775109585,17.676263963065416,18.22905526255129,18.725543304616867,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_61,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0816083075101245,0.3545660897847316,1.0758563974552344,2.6487271924399742,4.404044623245333,5.602406853135975,6.233806541514358,6.528553809446636,6.639006942276992,2.0427275984353384,0.2742427353070895,0.0068856242484124,7.535969687026166,1.633506910342068,5.088908916460617,0.2074059862846836,2.2379514347381,4.664211984404033,0.1949094000388972,3.797226635049278,0.6304332633855222,11.1897571736905,-2.2379514347381,-4.664211984404033,-0.1949094000388972,-3.797226635049278,-0.6304332633855222,-2.453900829032307,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0430,16.545096449454938,17.089752702184928,17.57281847259351,18.00660737689722,18.40025781257376,18.760515448077765,19.092359219414863,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_62,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0590328060577051,0.3667667535125146,1.2297050467948656,2.700223194173194,4.174105481334983,5.157313717764843,5.673812401735352,5.914967740200527,6.005368381824162,2.16501427685093,0.2646760242483063,0.0033818995370318,6.783028005781843,2.03876578726596,4.374587008088502,0.3793585079045765,5.72527522403841,12.637655372428584,0.6786274915409662,6.957824306530816,0.9387289953105724,26.528140695274388,0.2197251465616322,0.979418683786918,0.020784316764921,-6.957824306530816,-0.9387289953105724,3.5036295781128057,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0430,14.674912474683447,15.539742866582488,16.311116834685595,17.000252118176657,17.616922825327087,18.169644549071403,18.66585342032788,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_63,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0777415351008732,0.3553867605430878,1.1250624712760962,2.727735998482464,4.476996424501087,5.666882770613207,6.293984550611119,6.586873805959876,6.696661027641512,2.1176513964372368,0.2710730359294692,0.0062452432190551,8.019390116357815,1.9545806714142795,5.299156891773755,0.2098787057362398,3.449363623895259,7.290313842826643,0.3987114572226575,6.63905528167652,0.7873828303409075,17.24681811947629,-3.449363623895259,-7.290313842826643,-0.3987114572226575,-6.63905528167652,-0.7873828303409075,-10.662983886109732,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0430,15.992538158960809,16.612023676625547,17.162085174021474,17.65542438254757,18.101685234410592,18.508165098701795,18.880410820293125,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_64,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0596244481555703,0.3744396064173286,1.316883469675268,2.9714251319559755,4.600208858144766,5.663558708653489,6.215218868798517,6.471261458516721,6.567000576663158,2.37045864189594,0.2685050888958153,0.0034560749768014,8.442533870930804,2.7089372965883234,4.941984325269275,0.2972445641285798,5.268235496249841,11.501940530925292,0.6642970961128594,8.077086138688728,0.8978436658927694,25.08841441801722,-1.7187401504258586,-3.371791166208093,-0.2467094083688612,-8.077086138688728,-0.8978436658927694,-6.796813238843003,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0430,13.937700396337178,14.845267415093444,15.6589710194347,16.38877034463747,17.043850927557177,17.63251573816622,18.16218841874961,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM0430_65,RSM0430.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0724782788849441,0.3615667117651315,1.200577703965098,2.848849065444324,4.58237653416936,5.740517670679693,6.345785790927388,6.627419937660383,6.732824281133087,2.231326521614202,0.2699323607886524,0.0054013780190864,8.430982487775097,2.276236983262648,5.135889867049195,0.1803337657622023,3.9952282172937728,8.675491698528258,0.4471395840514731,5.581387217046315,0.7797984399380066,18.980662250139243,-1.1747048476931783,-2.2150588630528856,-0.1153133052749326,-5.581387217046315,-0.7797984399380066,-0.7051888762849582,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0430,15.817243319458614,16.46766285344372,17.046437196490587,17.566118804303287,18.03612152944496,18.46360674584077,18.85411803254776,"[Mn].[O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-]sql,dmd.cat0","linker [O-]C(=O)c1cc(C#Cc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Mn], topology sql,dmd"
RSM1709_0,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0040096812635814,0.2022229128641553,1.3523061741798137,3.5837657746248497,5.78682901344164,7.220387865513413,7.963087152443141,8.307632527003122,8.436443058659325,2.7693639899810103,0.1089940982207305,4.080330931014708e-06,10.959625020443442,3.8067542731360406,6.595622699470472,0.5466421078342913,19.58525513584713,44.11031933422476,2.009863307010155,6.493651320234105,1.341193731897317,57.76415581147517,-19.58525513584713,-44.11031933422476,-2.009863307010155,6.33583840807163,1.341193731897317,-57.76415581147517,-19.0,-42.933795,-2.0,7.0,1.56,-50.0,-26.0,-57.925255,-3.0,-8.0,0.3200000000000003,-95.0,RSM1709,20.75374272343805,21.24921041603189,21.64136894909037,21.95645444228668,22.21305107195541,22.42456106928268,22.60081496719927,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_1,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.004112546241302,0.203275369971395,1.3500785461925051,3.5755503984510684,5.7760771172757135,7.209273813300393,7.95208748861187,8.296746056487958,8.425608028959449,2.7628864502564663,0.1098954990790867,4.353228182545625e-06,10.91222384260274,3.7879270812689225,6.57763524398024,0.5465281514947171,19.588313847729243,44.1169291692819,2.0103570985796053,6.494542940907599,1.340742401509762,57.78342766192613,-19.588313847729243,-44.1169291692819,-2.0103570985796053,6.3288293636339175,1.340742401509762,-57.78342766192613,-19.0,-42.933795,-2.0,7.0,1.56,-50.0,-26.0,-57.925255,-3.0,-8.0,0.3200000000000003,-95.0,RSM1709,21.14109411395656,21.57662498154652,21.921294667910647,22.198238842486223,22.42381039904777,22.60978733288176,22.76480239950149,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_2,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.004006261830058,0.2021777977832207,1.3523519086131328,3.584038119236833,5.787390689814791,7.221181885959264,7.964013933237345,8.308623521803241,8.437458467873855,2.769549108022467,0.1089569397642807,4.0748000354488535e-06,10.961396330469588,3.807434070658911,6.596126494479567,0.5466664285808993,19.58484711412009,44.10945713403358,2.0098161409465125,6.493682013452,1.3412823209212168,57.76289429565536,-19.58484711412009,-44.10945713403358,-2.0098161409465125,6.336623758307802,1.3412823209212168,-57.76289429565536,-19.0,-42.933795,-2.0,7.0,1.56,-50.0,-26.0,-57.925255,-3.0,-8.0,0.3200000000000003,-95.0,RSM1709,20.731281975450184,21.230133884858144,21.625000104443075,21.94227618553313,22.20066463699647,22.413655714758363,22.5911459021913,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_3,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0041125025577493,0.2032379404111995,1.3497437487676829,3.5749900110132744,5.775552240219754,7.208845917746667,7.95172559570546,8.296417824924108,8.425292838595944,2.762366445572094,0.1098809565145639,4.351467412976242e-06,10.910989804546476,3.786398077719184,6.577795852493803,0.5462661755803487,19.588991029799296,44.118372652020746,2.010447334593408,6.494587646947969,1.3406126904277451,57.78635827254208,-19.588991029799296,-44.118372652020746,-2.010447334593408,6.327430293453446,1.3406126904277451,-57.78635827254208,-19.0,-42.933795,-2.0,7.0,1.56,-50.0,-26.0,-57.925255,-3.0,-8.0,0.3200000000000003,-95.0,RSM1709,21.192432541097315,21.62024748748956,21.9587363826964,22.23067597109808,22.452151524002915,22.634741342467017,22.78692823800408,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_4,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1397521115870699,0.4740205352005679,1.2334381007541326,2.5123218693482543,3.766044584042983,4.586625248231309,5.013296459367705,5.211565873015871,5.285741923032674,2.049556153546811,0.3782105314487436,0.0198945209677108,7.285793870214326,1.5894720715806256,4.85944956637317,0.1192630198260859,4.920885212836194,10.628630463998444,0.7901601728194487,11.242166595391785,0.7082435956756395,30.70678603318044,4.920885212836194,10.628630463998444,0.7901601728194487,11.242166595391785,0.7082435956756395,30.70678603318044,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.3791727616699574,4.049289286475529,4.743864919992586,5.44417453785732,6.135605698003961,6.807719373987076,7.453748594923957,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_5,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410176930325564,0.4884755066467288,1.382732640646333,3.092853136947725,4.908067200916605,6.139264590941144,6.788778588733557,7.092390118170202,7.206243324080671,2.452490109148036,0.3857981987281815,0.0202245661906246,10.601514936521424,2.6969163272491703,6.8097189037697925,0.2652885571240835,2.8687799016895794,6.245347178981412,0.5080243245778459,6.932974498312345,0.3300020794082401,21.21780321200131,2.8687799016895794,6.245347178981412,0.5080243245778459,6.932974498312345,0.3300020794082401,21.21780321200131,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.3538990390659777,4.032073967214823,4.73302760861385,5.438146155558318,6.133049475011459,6.80755003821907,7.455105600478431,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_6,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405799965606967,0.4856601813982819,1.3330569429806496,2.870304806404356,4.475486982016436,5.561446241605332,6.1342489196433405,6.402025633015636,6.50244693219647,2.300120365333812,0.3842342163066747,0.0201112997297844,9.801603157223354,2.410703709645937,6.274973789727262,0.1845849050803687,2.6309659388592173,5.721264617421586,0.4596368224572222,6.308060518516995,0.3173481716692257,19.01974787770947,2.6309659388592173,5.721264617421586,0.4596368224572222,6.308060518516995,0.3173481716692257,19.01974787770947,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.349602460718744,4.035177504458326,4.743239318169323,5.454773686489644,6.155187186404198,6.834222556691879,7.485363191396895,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_7,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1439420961885059,0.6110172523195481,1.706214956196788,3.619099653226235,5.593960449269245,6.913812720141187,7.604983700170587,7.926987183135451,8.047568952243342,2.91143788037603,0.4684326121441634,0.0184224019057879,12.14560268370284,3.473871440223657,7.385829110981731,0.4454371510294718,3.035615516750832,6.635916900624084,0.5641403312939126,7.548738167102132,0.298615924452341,24.31174560681972,3.035615516750832,6.635916900624084,0.5641403312939126,7.548738167102132,0.298615924452341,24.31174560681972,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,5.405813012601639,5.812750863607897,6.242772131034784,6.690875913254906,7.150767212893832,7.616196671228981,8.081702327614344,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_8,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1453017610576438,0.6090158010946487,1.589183242928703,3.104124983687315,4.661578553154352,5.7253014045964274,6.290192277760918,6.555152383378843,6.654659133866116,2.5511051801273736,0.4686588254122582,0.0188847013529396,10.504117454088254,2.615491614009135,6.517679018375263,0.2035937666529209,2.379217022651363,5.220105214829079,0.4607218450487931,6.064991783041709,0.1977594676290944,20.354444040158707,2.379217022651363,5.220105214829079,0.4607218450487931,6.064991783041709,0.1977594676290944,20.354444040158707,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,5.223716153392005,5.628575552634793,6.0574802356942135,6.505432105560671,6.966069851739459,7.43301920485724,7.900656038326208,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_9,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1458917806061428,0.6389614674899975,1.7832884006654222,3.4638648840623065,5.052685322844149,6.094430779951043,6.638848602748463,6.892592448400596,6.9876516750263145,2.8702486367387388,0.4838641174279687,0.0190094438271442,10.408721876173468,3.54393931422745,6.189769027521934,0.7034308961987995,2.9915593992849594,6.466105759583069,0.4720593223094625,6.582499181939837,0.4221330073808984,18.152617992316443,2.9915593992849594,6.466105759583069,0.4720593223094625,6.582499181939837,0.4193058104922,18.152617992316443,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM1709,4.961630130325624,5.361641184698503,5.78752695570004,6.23458476902639,6.696460271027365,7.166591176605826,7.639059948565496,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_10,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400349077284608,0.5016081298157964,1.48186386902531,3.293442556480304,5.139345006842774,6.366608984630307,7.008843019070608,7.308079341696086,7.420148939923978,2.6259954740243314,0.3918808997693547,0.0198559576615368,10.391187733936668,3.1053167351835365,6.717656844394712,0.6667101370959813,3.0214263080514665,6.56874181320098,0.5264137739342765,7.232736499525679,0.3635740811713668,21.741832635142018,3.0214263080514665,6.56874181320098,0.5264137739342765,7.232736499525679,0.3635740811713668,21.741832635142018,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.3546434564859977,3.924166458590726,4.522752058589702,5.136623524850042,5.753847738860286,6.364913353312719,6.962789567609419,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_11,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401921785335525,0.4770641258142925,1.322489978869005,3.007263755815191,4.844543653808949,6.101799511994699,6.76676843720827,7.077855828639736,7.194544527457987,2.368357530405357,0.3794632740369518,0.0200290299485895,10.204782321276529,2.371350165957492,6.814305604082578,0.2939272507338835,2.885669526999582,6.3057793636136585,0.5340836593239061,7.1583388015908325,0.2854092285325367,22.957508517675528,2.885669526999582,6.3057793636136585,0.5340836593239061,7.1583388015908325,0.2854092285325367,22.957508517675528,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.533120859557838,4.186944466845207,4.866726773952203,5.553236472946196,6.23174872127201,6.891862970349104,7.526874062118724,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_12,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401702056697133,0.4821671149458484,1.2473774274562188,2.662754702678781,4.224664005094494,5.312951176585615,5.8943072242751375,6.167533194113865,6.270217660962771,2.126912807460386,0.3839973851799207,0.0199080500168162,8.089807191544745,1.796501899118631,5.458756750301527,0.1656203964941985,2.9954818521500024,6.5181419567444285,0.5239866870901346,7.135413077100156,0.348503688479711,21.72021678976332,2.9954818521500024,6.5181419567444285,0.5239866870901346,7.135413077100156,0.3477118824336779,21.72021678976332,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM1709,3.4202140391743217,4.017972634585375,4.643248704478758,5.281172158787329,5.919099904055379,6.547192665895588,7.158397562596007,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_13,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398013063482635,0.474180375300905,1.2338995348033537,2.512228690750335,3.7646413926654994,4.584105446175362,5.010130577534048,5.208085858877316,5.282142205337868,2.0497836247900136,0.3783228532801272,0.0199081867801274,7.288178463397411,1.589809024032829,4.8611364611460965,0.1191953917115682,4.79775523067956,10.351475700203691,0.7594567518995304,10.873409245875802,0.7127937620765825,29.17319647956933,4.79775523067956,10.351475700203691,0.7594567518995304,10.873409245875802,0.7127937620765825,29.17319647956933,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.3763278226288964,4.046693359395524,4.741505149296575,5.442030147572837,6.133651831909409,6.805930550623104,7.452101005557643,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_14,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410109956683984,0.4879315252173699,1.3781358139466575,3.082789811426238,4.894344639672739,6.123562830536711,6.772120584154335,7.075300198757238,7.18899357720721,2.4441226855607168,0.3855522676222228,0.0202233935420497,10.570062502508735,2.6745623457735195,6.79333354161613,0.2597714723387345,2.872673008597832,6.253862933794259,0.5087492497180947,6.942667006342591,0.3304879677497044,21.249082437277472,2.872673008597832,6.253862933794259,0.5087492497180947,6.942667006342591,0.3304879677497044,21.249082437277472,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.3581270710553657,4.035882174965616,4.736427160197739,5.441155432687485,6.135692531470202,6.80985469384289,7.457101623853728,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_15,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405465156307252,0.4858803875743485,1.3342802538174867,2.872538068625115,4.478820745484978,5.565643165149716,6.138935871720992,6.406949099091094,6.507460255088665,2.3020027827507903,0.3843246597322585,0.020101226020891,9.810239731005195,2.4169905152146947,6.278224351829116,0.1852851037360593,2.60687298939352,5.669451227296689,0.4559909198414127,6.254800348124822,0.3133359410509488,18.8849994419313,2.60687298939352,5.669451227296689,0.4559909198414127,6.254800348124822,0.3133359410509488,18.8849994419313,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.3487358510706566,4.034470499748649,4.742670083622891,5.454320616767823,6.154829935648073,6.833942794193527,7.485144989470386,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_16,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1439071874758305,0.611251249056449,1.70952204326962,3.626760301805741,5.605345688905397,6.927731947697338,7.62027844526164,7.942935833971501,8.063764680051273,2.91766436539943,0.4684672875056598,0.0184173093947196,12.179620276634818,3.4935361730263303,7.407866610577233,0.4526403828665981,3.047810564867416,6.663018207024656,0.5668335344126374,7.582478840168514,0.2990854970663986,24.43929458454752,3.047810564867416,6.663018207024656,0.5668335344126374,7.582478840168514,0.2990854970663986,24.43929458454752,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,5.39931294434635,5.806733047399167,6.237201903761939,6.685722525434526,7.146000991294004,7.611788051609502,8.077621834146516,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_17,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.145324080877515,0.6091114964466343,1.5899938318474525,3.109149485105931,4.672334458991676,5.74002878537125,6.306988674211721,6.57290632624326,6.672770398248013,2.5542994360828843,0.4687366747443074,0.0188882989281658,10.52812791632762,2.623575483026136,6.531826296787126,0.2044001743414872,2.4017293262979647,5.269009384435456,0.4646059928904012,6.1185772694211735,0.2005536172561142,20.51377287083826,2.4017293262979647,5.269009384435456,0.4646059928904012,6.1185772694211735,0.2005536172561142,20.51377287083826,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,5.229479615399681,5.63409979807345,6.062794183420489,6.510555215005228,6.9710126959818695,7.437785568255935,7.905245190305332,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_18,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1457961864583077,0.6390179600642681,1.7844310054724106,3.466932751879924,5.057088121173922,6.099475260011714,6.644177055924991,6.898043889799092,6.9931478451046205,2.872681951708856,0.4838384544903226,0.0189832237290237,10.411372881401627,3.550027548671297,6.192717382729341,0.7080291550507088,3.038511978293662,6.56792486494667,0.4790090393059177,6.670761250146036,0.4280966059371053,18.409438232301287,3.038511978293662,6.56792486494667,0.4790090393059177,6.670761250146036,0.4250516833832773,18.409438232301287,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM1709,4.956696203052853,5.356368868644845,5.782013524605852,6.228920009529136,6.690723801187963,7.160851726480361,7.633375652423307,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_19,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400162269131075,0.5008945442042012,1.4771839069478057,3.2826424277491864,5.122755995131418,6.3461869716068415,6.986414577750144,7.284716368179284,7.396436074418657,2.617342763371392,0.3915209934256234,0.0198522707827584,10.340189651021038,3.078381688931983,6.689931397612146,0.6585438341241775,3.137505688556005,6.822814356879282,0.5483105509560484,7.523990096204392,0.3740048147216911,22.694210124143368,3.137505688556005,6.822814356879282,0.5483105509560484,7.523990096204392,0.3740048147216911,22.694210124143368,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.356676427237983,3.925750250744017,4.523952808811231,5.137506923477703,5.754474057933824,6.365335407742907,6.963052354438173,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_20,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401831453624377,0.4770392697549256,1.3225095473448938,3.006302222533514,4.841507951603961,6.097131026911592,6.761212764368343,7.071883289601949,7.18841555125553,2.3679260259470927,0.3794404743807262,0.0200266546416125,10.188759274503404,2.368098803690911,6.804589042112538,0.2942842573398769,2.876962173942589,6.28702792158567,0.5327414053750549,7.138893416943027,0.283995131258917,22.90708750654089,2.876962173942589,6.28702792158567,0.5327414053750549,7.138893416943027,0.283995131258917,22.90708750654089,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.5357024675617383,4.1892296018222375,4.86877202730821,5.55508120256225,6.233421512618527,6.893385336105679,7.52826262548418,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_21,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402440663628603,0.4821907042077933,1.2466764568760225,2.661645235239434,4.224922276425948,5.314920701531226,5.897379696027148,6.171162803574555,6.274062620777587,2.125740217784707,0.3840656775412412,0.0199288815740609,8.089565473237371,1.7924756581329255,5.460851449305737,0.1642052710945128,2.99944680276844,6.526807256684058,0.5245956019211322,7.142447334654522,0.3489445966409865,21.743659650452408,2.99944680276844,6.526807256684058,0.5245956019211322,7.142447334654522,0.348125331368865,21.743659650452408,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM1709,3.424833090215618,4.022253257122712,4.6472367902191145,5.284904706587208,5.9226061671652825,6.550495577723524,7.161515160379015,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_22,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.139808645500036,0.4741831361414012,1.234006086115342,2.5133178414731976,3.76727801974004,4.587974947214038,5.01470049135071,5.2129942061151855,5.287179221611775,2.0504293618353544,0.3783312249334739,0.019910145860249,7.290342834864526,1.5909598706948869,4.862145831944623,0.1194400787662617,4.921277171495779,10.629447661619867,0.7901946000982131,11.242833972281488,0.7083534661314717,30.707236149396028,4.921277171495779,10.629447661619867,0.7901946000982131,11.242833972281488,0.7083534661314717,30.707236149396028,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.378899477301776,4.049034127990557,4.743592084843092,5.443857678475586,6.13522751053036,6.807270412597015,7.453225736430786,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_23,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409987521350216,0.4884511478447511,1.382704834331144,3.0927511861792847,4.907839604025607,6.138939590559378,6.788400111869834,7.091986313620608,7.205829977903432,2.452423264010718,0.3857733515162456,0.0202191399013383,10.602231160166069,2.696977993340762,6.810236206565085,0.2652860853618519,2.868059247970302,6.243812821476327,0.5079301897952172,6.93150076633204,0.3298560405531368,21.2148170458137,2.868059247970302,6.243812821476327,0.5079301897952172,6.93150076633204,0.3298560405531368,21.2148170458137,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.351539827960354,4.02996981124162,4.731156715245673,5.436477671986866,6.1315511165273335,6.806192073679542,7.453862543869603,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_24,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405223882702498,0.4856201951753118,1.333362889691142,2.8712738411209053,4.477015055874498,5.563291168774363,6.136245767779098,6.404090415810828,6.5045367201970405,2.300857832494098,0.3841730909427315,0.0200948914055448,9.80804605628548,2.41291575563726,6.278494043150179,0.1847433474654647,2.631767391150085,5.722971207968016,0.4597419344350616,6.3097028666305786,0.3175034421582972,19.023098454703884,2.631767391150085,5.722971207968016,0.4597419344350616,6.3097028666305786,0.3175034421582972,19.023098454703884,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.348049265592346,4.033800927494945,4.742031628508325,5.453719334751441,6.154267804391907,6.833419748436674,7.484659945806254,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_25,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.143931489428412,0.6109911671858174,1.706458970006327,3.619943683187353,5.5952261990434335,6.915265306202331,7.606509860154722,7.9285425933809694,8.04913453989459,2.912080298357812,0.4684033496311483,0.0184206251202252,12.14976251234128,3.476428000528366,7.387603463947997,0.4458373495696641,3.036600729425743,6.638022214397646,0.564276477033855,7.550812545696583,0.2988014505397961,24.31634974524113,3.036600729425743,6.638022214397646,0.564276477033855,7.550812545696583,0.2988014505397961,24.31634974524113,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,5.405778399363059,5.81272386642146,6.242753029824285,6.690864667136108,7.150763443524886,7.616199666408365,8.081711088985887,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_26,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1453272786946431,0.60904056551835,1.5893231196745172,3.104958096452815,4.663289825801198,5.727592785241634,6.292777867345928,6.557872352839331,6.657428964183214,2.5516444840444903,0.4686864623070989,0.0188919315393581,10.508755712979472,2.6171311122716263,6.5202852828111055,0.2037417955847598,2.3805583515524424,5.223037962334176,0.4609716130140651,6.0683312556649645,0.1978922697284764,20.36522115322234,2.3805583515524424,5.223037962334176,0.4609716130140651,6.0683312556649645,0.1978922697284764,20.36522115322234,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,5.223126083984061,5.628006682712442,6.056936948334115,6.504916852063836,6.965583662123605,7.432562041180874,7.90022707298407,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_27,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1458408902361367,0.638893081591862,1.7832489036085617,3.463921040826585,5.052895539232031,6.094781257201474,6.639284807551771,6.893071454242508,6.988147173596048,2.870264168721936,0.4837956474683467,0.0189953848029371,10.40889301251277,3.544161793435198,6.189846489771256,0.7035572880663699,2.993739172457301,6.470840688004478,0.4723889342849056,6.586640503480815,0.4223934751335377,18.16503316024823,2.993739172457301,6.470840688004478,0.4723889342849056,6.586640503480815,0.4195559872363075,18.16503316024823,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM1709,4.961862687379121,5.361840921012301,5.787701010559097,6.234738360050796,6.696597520091919,7.16671553078166,7.639174405299294,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_28,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400293280064121,0.5016814973867366,1.4826364738425606,3.295287951205741,5.141932449462457,6.36960002918804,7.01203212562771,7.3113590270840865,7.423462356767967,2.62749916503893,0.3919087321976316,0.0198542153433999,10.399946348810852,3.109501328624731,6.722748127590093,0.6681080642659071,3.022178317068882,6.570420233921242,0.5265871722519982,7.234875695084868,0.3635802252518207,21.75021047229546,3.022178317068882,6.570420233921242,0.5265871722519982,7.234875695084868,0.3635802252518207,21.75021047229546,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.3549047076842102,3.924570639712928,4.52326867833395,5.137222197911632,5.754501504672567,6.365599889791755,6.963491258751653,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_29,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402029495612472,0.4770575414925936,1.3223714196190182,3.006990410287376,4.844208595709691,6.101487034916025,6.766487704515639,7.077594396646846,7.194291046243882,2.368132495621609,0.379467457842028,0.0200321584751421,10.204960947763132,2.370461093141464,6.814940023063742,0.2937673918238678,2.883924579954239,6.302060643099586,0.5338523355444976,7.15474326431022,0.2850613252459569,22.95004058834364,2.883924579954239,6.302060643099586,0.5338523355444976,7.15474326431022,0.2850613252459569,22.95004058834364,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.5346043517330594,4.188588247415889,4.868488150518678,5.555074810764378,6.233628396191903,6.893754374755901,7.528753526431764,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_30,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402172417096283,0.4822826014667228,1.2477995926998078,2.6638244658944363,4.2262509237507935,5.314795057144705,5.896261573209567,6.16953391250992,6.272234950882154,2.12775514748944,0.3840896601250692,0.0199209564456013,8.094703522095223,1.798422885727477,5.461717039345894,0.1659233182069921,2.994177115931413,6.515381031991687,0.5238642782423849,7.133590420550616,0.3482172483426993,21.71800708349556,2.994177115931413,6.515381031991687,0.5238642782423849,7.133590420550616,0.3474324723987773,21.71800708349556,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM1709,3.418727298162029,4.016571993971771,4.641953659768704,5.279990738958393,5.918032463015274,6.54623481850302,7.157542290275946,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_31,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.139761686021462,0.4740824643788178,1.2335487277839026,2.511467349118517,3.763515655614527,4.582743292074738,5.008643836977516,5.206540660008602,5.280575033996831,2.0491636611259394,0.3782469746345557,0.0198971262744723,7.285062653607198,1.588368790176362,4.85983390749527,0.1190632651241154,4.7961442898352855,10.348042602430093,0.7592432937075597,10.870090639495764,0.7124705719565203,29.16630911035276,4.7961442898352855,10.348042602430093,0.7592432937075597,10.870090639495764,0.7124705719565203,29.16630911035276,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.3771942753738133,4.047589689350864,4.742409934842595,5.442926789332208,6.134528087581264,6.806777867082318,7.452913803390079,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_32,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409858867672214,0.4878976397773557,1.3780276432142136,3.082470721857955,4.893820688938516,6.12291949387785,6.771420698301137,7.074575368110604,7.188259633382233,2.443882691532861,0.3855200797754802,0.0202161364938035,10.569510253544877,2.6740378083909,6.79308419491511,0.259594923289773,2.871722374328467,6.251836112620974,0.5086222543969875,6.940700409504366,0.3303033170316066,21.244945936146795,2.871722374328467,6.251836112620974,0.5086222543969875,6.940700409504366,0.3303033170316066,21.244945936146795,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.3583250035742203,4.036152303509327,4.73675170945037,5.441517183203836,6.136076597354149,6.810249084579362,7.457497165534328,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_33,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405547146681594,0.4858677161698504,1.3341838525357912,2.872469841487963,4.478857134638579,5.565756790856575,6.139089777942707,6.407121592446383,6.507639673018906,2.3019086996491462,0.3843237872930896,0.0201035941491525,9.80872248599622,2.416113783280188,6.27786067450562,0.1853715866883794,2.607348667449727,5.670488814453909,0.4560772149873148,6.255966387348246,0.3133843816814158,18.88866171186341,2.607348667449727,5.670488814453909,0.4560772149873148,6.255966387348246,0.3133843816814158,18.88866171186341,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.3477342270440738,4.033349737929654,4.74145325436351,5.453032439812929,6.15349400926198,6.832580083147972,7.483773205354492,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_34,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1439047259965686,0.6111921802314129,1.7088905718051557,3.624982404839913,5.602691508410614,6.924616296394454,7.616949237440161,7.9395125708732,8.060307008219947,2.9162749789675404,0.4684361486021125,0.0184176693963365,12.171103947977384,3.489258502245069,7.403060440539861,0.4515317913816969,3.0473693094812777,6.662063660338091,0.5667613047781878,7.58145974770678,0.2990229453894855,24.43644478706675,3.0473693094812777,6.662063660338091,0.5667613047781878,7.58145974770678,0.2990229453894855,24.43644478706675,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,5.400354869508771,5.807638359736453,6.237989879339707,6.68640923041035,7.146600257345358,7.612311952995262,8.078080946526788,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_35,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1453006638763763,0.6090855393888989,1.5901171324542105,3.109125454792565,4.671825202962545,5.739115205877984,6.3058492766115055,6.571659330460482,6.671482773235292,2.554384867462633,0.4687011963392308,0.018882534740004,10.526098892651667,2.623858556586157,6.530406928167438,0.2047082008060028,2.4017278485083486,5.269065818531553,0.4646635275270555,6.119036068724792,0.2004467878345594,20.51780768435214,2.4017278485083486,5.269065818531553,0.4646635275270555,6.119036068724792,0.2004467878345594,20.51780768435214,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,5.228180105075035,5.632620242878316,6.0611723707408816,6.508827364984409,6.9692120550392085,7.435941496763246,7.903382776678669,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_36,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1457670521176086,0.6388134920884754,1.7835107059908033,3.4649865891129337,5.05432863873196,6.096239129687247,6.640704433707279,6.894463483750288,6.989527426113718,2.871076666940741,0.4837063173112295,0.0189770565921645,10.404589505270298,3.544944201185241,6.189581701521486,0.706492108783459,3.033675539404623,6.557498709252271,0.4784075247296068,6.66337274379355,0.4273714391876762,18.390707245995053,3.033675539404623,6.557498709252271,0.4784075247296068,6.66337274379355,0.4243609554779935,18.390707245995053,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM1709,4.958514694363276,5.358207786216353,5.783876297535178,6.2308023298420485,6.692616719391474,7.162744072267132,7.63525573236221,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_37,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399206328333255,0.5007020514696249,1.4765069456058102,3.281093253100405,5.120490019086673,6.343516585038459,6.983550373660717,7.281765487748917,7.393453288035376,2.6160937531746504,0.3913633157440805,0.0198252800803898,10.332574461109468,3.075064663013055,6.685408513013117,0.6574022687007502,3.137077662379625,6.82187296385613,0.5482253127383472,7.522880164286402,0.3739775039098079,22.69038357978617,3.137077662379625,6.82187296385613,0.5482253127383472,7.522880164286402,0.3739775039098079,22.69038357978617,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.356403941334702,3.9255647453475806,4.523846054721285,5.13747015033939,5.754498280286425,6.36541178663315,6.96317249588325,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_38,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402224316362499,0.4770783867087594,1.3225022131508568,3.0062919227811915,4.841497610969847,6.097109135234703,6.761181023508084,7.071846117653884,7.188376212469151,2.367913083076632,0.3794859061458939,0.0200379136777894,10.188058637526016,2.3680659416133034,6.80408465571092,0.2943524594426763,2.877215078762861,6.2875981216526,0.5328053552567725,7.139657920817041,0.2839846689049199,22.91029947415976,2.877215078762861,6.2875981216526,0.5328053552567725,7.139657920817041,0.2839846689049199,22.91029947415976,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1709,3.5356898454056167,4.189298029679466,4.868899718807853,5.55525118186913,6.233620689322375,6.893603723646193,7.528492687197701,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_39,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402117957326361,0.4821002024752729,1.2463208919912647,2.6608231643285265,4.223740675181396,5.3135537871798535,5.89592936328958,6.169676370833871,6.272563091399758,2.1250770189684185,0.3839976133138914,0.0199199460404509,8.086149079949351,1.790974770617826,5.458922418882851,0.1639440995653077,2.99935826877393,6.526642292117491,0.5245880788732307,7.142027489210536,0.3488864861745043,21.74367253816694,2.99935826877393,6.526642292117491,0.5245880788732307,7.142027489210536,0.3480630894423254,21.74367253816694,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM1709,3.4252487004968613,4.0226641565898005,4.647642961524864,5.285304409199847,5.922997128001758,6.550875642565763,7.161882590457242,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_40,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1574258161111129,0.7783883560341595,1.897669478822648,3.536229427679712,5.129489460346695,6.174371037960354,6.717884981616477,6.970435349500788,7.064912019883478,2.948452655323816,0.6018004849145003,0.0101085015294272,8.991881905906986,4.40908549223532,5.138239576528474,1.2829817969945394,1.8210920826968937,3.790230882217992,0.1529050549273672,3.0373812420555257,0.5237672950706523,12.14292489935278,0.2963860834609126,0.4350360461872545,-0.152036144919829,-0.9290266309768708,0.4167467902716085,-12.121202149164327,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM1709,6.974713194739897,7.766324486915017,8.548612767254086,9.31654873902639,10.065953950673554,10.793278659956464,11.495568053061351,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_41,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1571713406946786,0.7855582528061912,1.985207831170775,3.7991424390282544,5.5684625822759335,6.731131483750507,7.336870173566329,7.618573102557455,7.723995220181649,3.147156058152911,0.6048391590020734,0.0099447146747841,10.16596254896727,5.116789482761421,5.577229262650024,1.3770918197832407,1.5797066226104202,3.255154014329936,0.0995776797692239,2.356197909284639,0.5166119955119447,9.830325321231596,0.5965111695929143,1.0915812938013565,-0.0970614108342773,-0.2064009408982435,0.4469453637075122,-9.767418597857931,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM1709,6.967656389829363,7.728605326115479,8.488719517312353,9.241563569954751,9.981614981874664,10.704090752299038,11.404951961649182,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_42,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2147558916146879,0.8872552128072841,2.09298856249978,3.785426491449696,5.329150328161344,6.306118829084084,6.806269205142527,7.037087880034599,7.123195806077754,3.1928897943834467,0.6994671317114234,0.0229155371396067,10.685257582773623,5.034070995803043,6.474152878314791,1.6001648228995198,2.1152013414124333,4.641401025952956,0.4101689284896154,5.3965527693293565,0.1738605036011864,18.77938527685447,-1.98648794348372,-4.384579533303844,-0.4101689284896154,-5.267839371400643,-0.113257746341544,-18.77938527685447,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.49677653843687,10.277316018308577,11.036083778765809,11.768364431790715,12.470362555563373,13.13939391062558,13.7738527152339,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_43,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1000599028152553,0.723968442196771,2.178027902119549,4.082851999166269,5.714190362194234,6.734292150987626,7.257078595288447,7.498791316882241,7.589054238913062,3.4373941577556684,0.5203439151678428,0.0036066448425291,11.65893440529516,5.551164548091613,7.002472364621274,1.7218793303011053,1.2025113939667007,2.6334330872391667,0.2281220170901111,3.027487530687589,0.1076180930421792,10.574997311635723,-1.0787087769344104,-2.386510522277616,-0.2281220170901111,-2.903684913655299,-0.0520673189208983,-10.574997311635723,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.972491306811123,8.755078944880978,9.525815973835824,10.281269080809365,11.017610578744794,11.73109622563592,12.418447593426336,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_44,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0999493201036149,0.7254857838298258,2.226481457215844,4.2595162306348735,5.992485368773989,7.057687774864281,7.597371602172454,7.845483060745665,7.937909329766145,3.568097450995139,0.5206445739683004,0.0035849884674491,12.633199379919686,6.131383400067039,7.362782033905587,1.8021693999988704,0.8187471989648103,1.765023129605473,0.1280158260803121,1.842873807607308,0.1289234615371475,6.654052516430295,-0.4614110618383115,-1.052031691521358,-0.1280158260803121,-1.485537670480809,0.0393123832809291,-6.654052516430295,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.902191976953758,8.686143829464337,9.459353262819215,10.21798645850537,10.95790684607021,11.675143257602262,12.366257532736412,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_45,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.218172496238564,0.9013922676504612,2.183188894345367,4.142879379509193,6.047903204342797,7.291882475987331,7.937520065406861,8.237233440726449,8.349309517012092,3.438125069668151,0.7094268418111371,0.023425150130798,12.842021399607848,5.919249188662256,7.562578045297186,1.7238655104567069,2.0816686042010653,4.572991221183782,0.4086791497501431,5.35110180220221,0.161791401583221,18.581926016008183,-2.005122893300366,-4.420205982225988,-0.4086791497501431,-5.274556091301512,-0.1242840032418788,-18.581926016008183,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.46281646423533,10.23552098028929,10.985122900874158,11.708313429094794,12.402086010960488,13.064138719450629,13.692991896896515,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_46,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175936870561012,0.8997193836272368,2.178428170144471,4.137726193338235,6.042730282596521,7.283207202334612,7.925466904164232,8.223213153305121,8.334486560708871,3.43253073568078,0.708106957528521,0.0232990111202411,13.132970740938472,5.983211557881684,7.722978665665829,1.7223956177598154,1.9203638824110465,4.207560351309049,0.3661797899962851,4.849802202381327,0.172000743389214,16.925415211980933,-1.7414340175518042,-3.8504163410500025,-0.3661797899962851,-4.670872337522085,-0.0843251096081853,-16.925415211980933,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.448682838124322,10.229806499660784,10.98565322027263,11.713334345735976,12.410224998505688,13.074346277320831,13.704480698307796,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_47,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1123049432098598,0.7565568742018585,2.2925812577812965,4.557398139799808,6.630072174123314,7.946305453629044,8.62176487012651,8.93387234582046,9.050367859844346,3.7633074806990128,0.5499687711596559,0.004410081776366,15.19916456838377,6.897271080954077,9.342096156426146,1.9114684929170875,0.9411519023333144,2.004206414778977,0.1228706810216286,1.924117350506344,0.2031360019979038,7.163173132099146,-0.2875549078829723,-0.6996268138560936,-0.1228706810216286,-1.2705203560560017,0.1171265252827638,-7.163173132099146,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.399167300104118,8.256964756748044,9.090865697024428,9.898267301647213,10.6769353083596,11.424876276504616,12.140425036545013,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_48,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4304604784959942,1.397616639495006,2.6117968629726627,4.18328173943858,5.788455400141984,6.886151175037313,7.468590683553814,7.741565381270408,7.844040239678757,3.614374798918768,1.1588040576385614,0.0568945510324187,10.550249820812288,7.057308484863161,5.263540856684862,1.801006236061738,3.735343052681449,8.219117987191545,0.7463891452745484,9.706456214877836,0.262799758511257,33.60449816889821,-3.7285484000640334,-8.205563276930436,-0.7463891452745484,-9.69966156226042,-0.2596726431809263,-33.60449816889821,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,12.784251920299107,13.452864170295149,14.079782013388892,14.66697960884144,15.215847835883928,15.72775730474497,16.204277411692882,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_49,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1219926330994587,0.8272265034762784,2.4241264326648166,4.553908195123727,6.442438781351916,7.638512806504389,8.25322619704021,8.53759024440155,8.643789022328829,3.821513796666419,0.5989149855050739,0.0053519560390246,14.49033540908207,6.929959728107966,8.474759367313798,2.1929699396851965,2.0846767550360124,4.460357818006627,0.2928382341542527,4.427382628270034,0.4021617525476266,16.280148458265117,-0.8437055865065157,-1.9836998004394648,-0.2928382341542527,-3.1864114597405377,0.1971749886396498,-16.280148458265117,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.701363015163961,8.424919196139223,9.139962854405288,9.846920390634896,10.54376002749352,11.227124850864678,11.893257978452969,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_50,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1271614911737358,0.7775169154486233,2.145608176567636,4.041997950951393,5.807302850883716,6.958519952920001,7.55868614673966,7.838106086055723,7.942736121373017,3.3776536733371243,0.5764366602090121,0.0058695246621863,12.113225931824934,5.278629860050957,7.473314664647479,1.6652405892845303,1.334206321486797,2.795331880988516,0.12958397864978,2.370878150685037,0.3740734686463671,9.262711180429582,0.0383665349889961,-0.0562309528687922,-0.12958397864978,-0.9983052942092444,0.2833646835915213,-9.262711180429582,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.207886890165426,7.95889001490234,8.70150625416316,9.43381408205397,10.153037429038289,10.855898569015483,11.53906308655287,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_51,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1278603996961307,0.7553226781582154,2.0454521425259187,3.953731408581288,5.82386604948022,7.06588414671592,7.716895022864856,8.0205038468739,8.13425732862591,3.269289766038264,0.5652194097128546,0.0059513750367983,12.157032020043031,4.973673675498113,7.675255891682944,1.449328590437838,1.3460452597441943,2.8454983780100225,0.1553532919912242,2.5888715956739885,0.3306722634657751,9.837292138545456,-0.2074876601680481,-0.5731315959687031,-0.1553532919912242,-1.4503139960978422,0.2219249590719182,-9.837292138545456,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.046816711816111,7.818790836065304,8.594868029360164,9.36772720252661,10.130138568832656,10.87555033669696,11.598462263751156,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_52,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2270367722762981,0.9383867524092704,2.1642107082917166,3.92113524398369,5.675029263905932,6.852314142875038,7.472028031472472,7.761535247196541,7.870078303597712,3.287350145927771,0.7398739586340795,0.0239522252527328,10.5567729092711,5.485016081383827,6.208794698300049,1.7376720622705328,2.398555220664289,5.225644455044008,0.4283783435000259,5.825581968664497,0.2756975367754473,20.56034297332197,-1.88522821433597,-4.2010437504126825,-0.4283783435000259,-5.312254962336177,-0.0241673036745705,-20.56034297332197,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.657837875229609,10.346325552738588,11.030226347190412,11.702977451112304,12.358753299273888,12.99280661959158,13.60157479481505,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_53,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2181807517230115,0.9322279724828934,2.2227031335736376,3.971179447256007,5.660398863705779,6.793393528051681,7.391886551971101,7.672103008023006,7.777270630036494,3.35258741267164,0.7275188649026068,0.0232320676239292,10.655610052165576,5.729452730293095,6.146045259619626,1.8352444744512608,1.9654608652758143,4.325098838004425,0.393092173055163,5.110198249717119,0.1375822605693068,17.689147787482334,-1.9654608652758143,-4.325098838004425,-0.393092173055163,-5.110198249717119,-0.1375822605693068,-17.689147787482334,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,10.467355814522566,11.120531490393123,11.765423185468904,12.397340505197263,13.011847192454017,13.605214293784025,14.174597663090204,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_54,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.228416067265355,0.9401381735961942,2.15348914653172,3.840228923832543,5.491673806588912,6.594513725417188,7.174388753198497,7.445211438696626,7.546741596436565,3.237639630722201,0.7420164450462658,0.0241081082879971,10.228149146983482,5.347460444822744,5.973736783797702,1.7127231333000104,2.163479438901868,4.709287866473577,0.3822904895642048,5.221803355415505,0.2570626783979029,18.46320698579344,-1.6594254567401805,-3.703213147441323,-0.3822904895642048,-4.7177493732538185,-0.0105406642970401,-18.46320698579344,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.544489956354331,10.252433532687538,10.94941176390194,11.630869754751384,12.292432565817595,12.930374807272017,13.541836256700227,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_55,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1575774445046816,0.7789525812058894,1.9000319780281787,3.542376184929452,5.138579203445731,6.184870495125079,6.728967539208251,6.98175616309326,7.076316811552506,2.9532819231681104,0.602237998750635,0.0101200331635936,9.018090320396167,4.4229767523297445,5.149942808612113,1.2852886447936689,1.8258012785797937,3.8006294231224658,0.1540136036117154,3.052424442547132,0.5240174707926639,12.192992897383071,0.2890937830416296,0.4190246704009682,-0.1533278954959173,-0.9447293161415896,0.4162182338862003,-12.17585019448812,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM1709,6.9724985957137084,7.763045765119435,8.544570134972433,9.311997995912511,10.061104923230896,10.788297391795084,11.490581340987845,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_56,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1573208736670898,0.786087540905077,1.9874581856649145,3.806189276983584,5.581341349854876,6.748086833048705,7.355981904061264,7.638691527065891,7.744490780276712,3.1522771679091144,0.6052468438306511,0.0099581788834498,10.2147075518937,5.133872553097695,5.60055716369593,1.3794722894436235,1.5826704391166757,3.262267859673471,0.1005449721161716,2.3647216007297573,0.5158599397132327,9.85802293618657,0.5911636025276414,1.080405507403799,-0.0977563952016352,-0.2201676166880722,0.4455202878856307,-9.78830851332316,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM1709,6.928160372692139,7.696569213901515,8.4625862599292,9.22005748541186,9.963715741155218,10.688996632640835,11.39204112951436,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_57,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2148081149230718,0.8873919013899146,2.093427639212816,3.786034652679233,5.329686532553773,6.306542481081614,6.806620489391443,7.03740286714104,7.123496813246852,3.193476397072234,0.6995704067592813,0.0229294894560511,10.691193973030796,5.035520979653072,6.4781486146618885,1.6008300243013986,2.1128999680287923,4.636330476971878,0.4096994568259418,5.390495622636326,0.1738046065389319,18.7584889766628,-1.9840946002306248,-4.379319114200521,-0.4096994568259418,-5.26169025483816,-0.1129850132392269,-18.7584889766628,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.482420470577146,10.263744941681423,11.022954235431746,11.755449325787884,12.457517098543908,13.12653421173613,13.760939934138715,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_58,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1001623472332096,0.7243358660514729,2.1782108986096187,4.08180778701073,5.711779055623651,6.731025945770935,7.253390429118893,7.494912995531397,7.585105779681548,3.43684086892431,0.5206565461770588,0.0036127720775949,11.649352662188834,5.548049183270294,6.998399556086025,1.7221684949204903,1.199348080226166,2.626353144895472,0.2273729112410561,3.018331370154615,0.1076463019721337,10.544198625951951,-1.0743810321843956,-2.3771060008778133,-0.2273729112410561,-2.893364322112845,-0.0515147358966053,-10.544198625951951,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.964030106702496,8.746708754831722,9.517368355407742,10.272643269066917,11.008758692353812,11.722009920985888,12.409146168819332,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_59,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0999680499921997,0.7255575507823666,2.227317484841972,4.262362720562285,5.997091969646186,7.063254535181028,7.603380307640005,7.851684549028869,7.944180952582365,3.5702164635339875,0.5206952448932854,0.0035855522019015,12.654607299579588,6.1401538248185785,7.374624415233135,1.8034606536857405,0.8225456050993694,1.774247238939184,0.1296129240229213,1.8594489972827404,0.1276773966094558,6.704986505955274,-0.4735836351298443,-1.0779525529056926,-0.1296129240229213,-1.5104870273132154,0.0369483497934109,-6.704986505955274,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.919453587523384,8.703740398498407,9.476746976920117,10.234825094800646,10.973967345060618,11.690294329225685,12.38043348126296,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_60,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2182492955076975,0.9015345443146168,2.181914608606983,4.138665680043566,6.041364904845954,7.284081702542158,7.92912621097154,8.228576741523819,8.340556423886595,3.434915926862092,0.709601074407123,0.0234304245970735,12.82292857211272,5.907529888018703,7.552837484303493,1.721825696169035,2.075482902731337,4.558952800772384,0.4070250370767678,5.33168319934548,0.1622340444771424,18.51791525519204,-1.9947674680363416,-4.397844793121173,-0.4070250370767678,-5.250967764650484,-0.1226834814765947,-18.51791525519204,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.47182703488145,10.242872309322095,10.990936073413971,11.712686268023766,12.405114102839644,13.06592435515626,13.693645514783803,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_61,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175505759131071,0.8997355889589779,2.179289274276333,4.139728228779296,6.045549862801073,7.286475768372007,7.928945524336759,8.226783978831612,8.338090996803775,3.4341723842263554,0.7080706446878943,0.0232885225497662,13.144148052095698,5.99045914881689,7.728675812767591,1.7236830101659986,1.9215033430980115,4.210055493493704,0.3663956555497607,4.852668587496097,0.1721057614635279,16.935429826485272,-1.7424532123995955,-3.8526714326196654,-0.3663956555497607,-4.673618456797681,-0.0843711974213042,-16.935429826485272,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.4513133272086,10.233092481902409,10.989468543243037,11.717554495674616,12.414734622037049,13.079043734910044,13.709280004651568,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_62,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1123843041402204,0.7568437748060082,2.29314826511156,4.557725316242313,6.629677797723583,7.945277481624243,8.620365992027459,8.932292120334235,9.048718362050543,3.763798565365633,0.550199207813626,0.0044161922218666,15.198030253749389,6.898746751927327,9.341101895040437,1.912681448566985,0.9428732489982352,2.008075783496375,0.1232945935467734,1.9292299973724223,0.2030892455609109,7.180258115926644,-0.2900726864694996,-0.705085860689019,-0.1232945935467734,-1.276429434843687,0.1167830300781695,-7.180258115926644,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.389780978105209,8.246280436755306,9.079091917518726,9.885590859099429,10.66352457675032,11.410884439563633,12.125992006892274,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_63,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4303831591535877,1.3975525494659586,2.6121677631949125,4.186101001089095,5.794672525534076,6.894769858282405,7.478474476419865,7.752037785978998,7.8547327903882,3.6161273360813793,1.1587309562786228,0.0568682820690338,10.564792263057154,7.060949775355837,5.274774642033433,1.801600383690848,3.735548895941861,8.21955930077554,0.746418925660923,9.706900301229243,0.26283787148591,33.60612299292777,-3.72864036066737,-8.20577729623442,-0.746418925660923,-9.699991765954756,-0.2596553764767356,-33.60612299292777,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,12.797800196820196,13.465203797500028,14.091022813490287,14.677239421606934,15.225237737466871,15.736376727293262,16.21221340343801,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_64,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1219979191492056,0.8272356708812817,2.423607254484548,4.552213401918116,6.440638516698629,7.637331645023286,8.252570454177583,8.537223485412476,8.643537475938151,3.820162047326058,0.598934649133303,0.0053513048356665,14.48019219157366,6.923412955295779,8.47336542747661,2.192341947021584,2.084090837886421,4.458938957937541,0.2925947757387347,4.424849043796298,0.4023758273774321,16.2723497042068,-0.8418569195009261,-1.9797612314767008,-0.2925947757387347,-3.182615125410804,0.197559484360318,-16.2723497042068,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.687527847411181,8.412326631052553,9.128420573802346,9.836279088495678,10.533902532544564,11.217957850443751,11.8847058939183,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_65,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1271834090477364,0.7775954307077746,2.146154128600949,4.043186653749954,5.808452694421637,6.959331305238175,7.559240317085794,7.838523822214345,7.943100195498898,3.3786869367052708,0.5764904303722308,0.0058721247040259,12.120059821135714,5.282393046757881,7.476764007032815,1.6660685045481496,1.3350688559926018,2.79729243001212,0.1298170560828989,2.373605304655793,0.3740215899770145,9.271685401620989,0.0368982951636127,-0.0593993939612346,-0.1298170560828989,-1.0016381534995784,0.2831496507189855,-9.271685401620989,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.1987591768071,7.949819093960931,8.692562958845022,9.42505470939488,10.144506309990708,10.847629341895113,11.53107978134038,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_66,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1278507167122427,0.7552867108564735,2.0451992258885467,3.9528762897578544,5.821953973210631,7.062943503212457,7.71331071906802,8.01659545386187,8.130223661015744,3.2686910985959874,0.5651930335437845,0.0059506492138144,12.15655607638904,4.971185374189484,7.67617916681339,1.448510981635599,1.347305410962423,2.848170436772925,0.1555067389851221,2.5913593228434006,0.3309636120711572,9.84666183451456,-0.2077619788887987,-0.5738362180989605,-0.1555067389851221,-1.4518158907697762,0.2221088947815718,-9.84666183451456,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.072894528413783,7.843411465248621,8.61819217830048,9.389878978505845,10.151213562549188,10.895623066278771,11.61759246516838,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_67,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2270276793036029,0.9383444844366728,2.163191801060148,3.915579218941132,5.664086804635524,6.837931752287533,7.455928582298815,7.744656929065352,7.852911798883584,3.283666108911012,0.7398470973714781,0.0239495990810467,10.515981595273557,5.4730427386035005,6.183920114728734,1.7359642178034134,2.4026780551108184,5.234682806819573,0.4291695107536261,5.836034141139827,0.2760562744216859,20.596780490626617,-1.889017052425444,-4.209415445459565,-0.4291695107536261,-5.322373138454453,-0.0243623831058521,-20.596780490626617,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.661161343805585,10.348833003551414,11.032160747144935,11.704500222350823,12.359973844589078,12.993800515057824,13.602395249640647,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_68,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2181397925101631,0.9321629635783496,2.222627154053852,3.969883419046761,5.656729719391997,6.787806275994622,7.385229244853214,7.664935458846064,7.769910326050832,3.3519085242650943,0.7274474628260829,0.0232269964981749,10.638686588731796,5.726676381267236,6.135303103498442,1.8354138605772103,1.9610407831724304,4.315372217491658,0.3922081566344861,5.09870603624832,0.13727285482207,17.649367048551873,-1.9610407831724304,-4.315372217491658,-0.3922081566344861,-5.09870603624832,-0.13727285482207,-17.649367048551873,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,10.472274843083053,11.123579451412445,11.767088384268147,12.397987695011922,13.01174950876442,13.604576430406643,14.173573031356026,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_69,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2285341331663308,0.9403542427031716,2.1537969094815663,3.840812911504431,5.492832825265922,6.596215614880831,7.17641968392562,7.447405340513609,7.54899804694554,3.238091971522671,0.7422165525193969,0.0241336478086679,10.228118697161268,5.349292448460848,5.973867378722715,1.713386086305034,2.1494083499996792,4.678143231246909,0.3793013207190189,5.183818915751831,0.2564031144162429,18.333068164378776,-1.64360485719051,-3.668579567861876,-0.3793013207190189,-4.678015422942662,-0.0091078100870699,-18.333068164378776,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.5623641838185,10.268123466102482,10.963364153925015,11.643417352306896,12.303825144464623,12.940801785403645,13.551443102366555,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_70,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1574673560091236,0.7785444174721151,1.8979504956228592,3.536571989249822,5.129783302414506,6.174593181114367,6.718060383939421,6.97058713587251,7.0650546827383724,2.9487885999325707,0.6019296960196497,0.0101108537005479,8.994168802898916,4.41007947775594,5.139879075069239,1.283414278318828,1.8209222334692208,3.789806421182735,0.1528365572806202,3.036825393648822,0.5238445209700396,12.141186584326968,0.2967999719538691,0.4358961303606046,-0.1519878950224501,-0.9280141419365175,0.4168716608074782,-12.119970027872716,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM1709,6.96775732100862,7.760558617734201,8.543735767206478,9.312331984705011,10.06222651756141,10.789914559373216,11.492475661647708,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_71,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1572233533306885,0.7857158369812565,1.985498345074208,3.799524249019688,5.568856409695849,6.731515463840665,7.337246262474983,7.618945107161946,7.72436564252722,3.147518085550085,0.6049722201417934,0.0099498981994866,10.16827637194462,5.118034450852554,5.578657855191745,1.37749921864088,1.5800963602943312,3.255970721286511,0.09961082074894,2.356796689089463,0.5167158432215678,9.83277032477368,0.5966045510526737,1.0917458534761628,-0.0970875410993914,-0.2065902140627183,0.4470261178920531,-9.769688333534964,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM1709,6.975302404429422,7.734601769998193,8.493218817296453,9.244722969161414,9.983591669335953,10.705037249582922,11.40501246586107,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_72,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2148668912902895,0.8875226004375127,2.0935671132412472,3.7864564449950895,5.330528110414103,6.307688745222425,6.807930295253912,7.038789540135217,7.124912366728008,3.1937697195591728,0.6996964109966536,0.0229355670156941,10.69093548107885,5.036735163232327,6.477303850973124,1.6010136457939432,2.115378086104846,4.641806692479943,0.410220437137059,5.39714158320132,0.1738444804318449,18.78129917326541,-1.9868262852657443,-4.385307341348354,-0.410220437137059,-5.268589782362217,-0.1133098255640961,-18.78129917326541,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.49391239556478,10.274208594385923,11.032511864303991,11.764168398704992,12.465448180962284,13.133725976015128,13.767443589467767,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_73,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1001197274455641,0.7242445307969574,2.178668979666724,4.083844241443906,5.715455849670312,6.735729433181067,7.258605032198936,7.500359269266706,7.590637743799675,3.438274939567883,0.5205570661773585,0.0036101677442439,11.66393270474363,5.554283080671719,7.004754258325013,1.7229308930508465,1.202407957092395,2.633218999614663,0.2281144421011489,3.027323493901586,0.107586582968467,10.57432862748495,-1.0787364639190946,-2.3865579183310124,-0.2281144421011489,-2.903652000728287,-0.052093526502337,-10.57432862748495,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.9644374250163485,8.747371493686789,9.518319211768825,10.273870493433664,11.010230380906885,11.723686601528913,12.410987351223028,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_74,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0999960821979371,0.7256781436856774,2.2269521554498004,4.260340794740815,5.993605665940163,7.058989937070328,7.598766086900345,7.846920035272686,7.939362140044611,3.5688032530766387,0.5207960215025134,0.0035879578916659,12.638430407702192,6.134082443077722,7.365590793334098,1.8029477352145524,0.8184454770608229,1.7642673144231988,0.1278663138363993,1.8413759877520173,0.1290715084437365,6.6495536620321,-0.4602176613031702,-1.049497412029963,-0.1278663138363993,-1.4831481719943644,0.0395650887582571,-6.6495536620321,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.892559123412218,8.67659705224968,9.449790218642583,10.208317033213271,10.948070359840282,11.66511139144292,12.35603018117864,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_75,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2181792759322905,0.9014478874908238,2.1833314919673903,4.143180951432926,6.048382556514326,7.292486482648115,7.938191136923782,8.237936175222687,8.350024177014161,3.438365927484066,0.7094694302055614,0.0234218141495581,12.844999067761862,5.920161780083977,7.564690132089613,1.7241276518144228,2.081762168965541,4.573189524001415,0.4086904403244104,5.3512856915608245,0.1618135381118529,18.58261965131592,-2.005142234278564,-4.420256134366207,-0.4086904403244104,-5.274665756873848,-0.124269770115234,-18.58261965131592,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.45602456207727,10.228621238808952,10.978017485900946,11.700932739625946,12.394392103775944,13.05612312360899,13.684670252173342,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_76,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175339017677915,0.8996839773388092,2.17880177701323,4.138776585739748,6.044288725779671,7.285037823575644,7.927424897791582,8.22522752306926,8.336521595499843,3.433356521142393,0.7080454095069629,0.0232824922847777,13.140048120235544,5.986198093296521,7.726560915372684,1.722922557067924,1.920430037921671,4.207701427753474,0.3661886190913007,4.849938990652077,0.1720146184898871,16.925922571434366,-1.7414561529913362,-3.8504695534325255,-0.3661886190913007,-4.670965105721741,-0.084317414874023,-16.925922571434366,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.440497912716996,10.222071291960662,10.978330551271668,11.706377143967307,12.403587568063342,13.067989245339248,13.69837242105651,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_77,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1123493646494061,0.7566825167265439,2.292784158804214,4.557806797499159,6.63077424192924,7.947230589540197,8.622812851556047,8.93497873472676,9.051496297630608,3.763628356950164,0.5500792154952334,0.0044135962246692,15.20266339447856,6.898567902961816,9.344167875591276,1.91177427275956,0.9410980769868716,2.0040881617285584,0.1228601040935922,1.9239789097356093,0.2031318391270234,7.162692466806203,-0.2875029639490506,-0.6995123161050675,-0.1228601040935922,-1.2703837966977884,0.1171297662615089,-7.162692466806203,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.395617556322517,8.253091218048029,9.086551551618305,9.89343509569419,10.67154766984456,11.418931650741628,12.1339505512822,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_78,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4304228487951248,1.3975520486331128,2.611811999306051,4.183716685475661,5.789420631640653,6.887470086041118,7.470090235493695,7.743147749416797,7.845653387383012,3.614632981513469,1.158742228793804,0.0568856281506582,10.553315367456223,7.0582553117293605,5.265135560799478,1.8010634462966082,3.73530480059369,8.219033241681455,0.7463809326094805,9.706352261469537,0.2627984045594464,33.60414265515806,-3.7285045255011138,-8.20546729847512,-0.7463809326094805,-9.699551986376957,-0.2596682482671893,-33.60414265515806,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,12.787378552657774,13.45566119012024,14.082299070226512,14.669255911609897,15.21791526158232,15.729642271492494,16.20600209818919,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_79,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.121991903170108,0.8271932083448563,2.424045893001224,4.553824012503026,6.442420106510467,7.638570349713146,8.253332497567925,8.537721152746087,8.643929441983987,3.8214225457763216,0.5988923653037345,0.0053526667190867,14.490325319975144,6.929606747077712,8.47493808456813,2.19281445386498,2.084616146877309,4.460288361054603,0.2928881134959724,4.4277210548450885,0.402041008037951,16.280843004305996,-0.8442649880824147,-1.984866878243288,-0.2928881134959724,-3.187369896050193,0.1970193285907706,-16.280843004305996,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.699403290820304,8.423283261099622,9.138580472468856,9.845737685200424,10.542736028801132,11.226228431841015,11.892465389286452,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_80,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1271482996739217,0.7774830014331131,2.145552778377572,4.042036258502801,5.807556127756252,6.958952398871441,7.559219400176761,7.838687540836439,7.94333580273924,3.377639779871093,0.5764077464702377,0.0058679728017495,12.113948440661083,5.278648383834877,7.473749398854301,1.665126003343866,1.33431878654142,2.795587136707772,0.129614107645551,2.3712316477058284,0.3740642348642199,9.26387608561812,0.0381777100859094,-0.0566387013685537,-0.129614107645551,-0.9987351510784988,0.2833343595123344,-9.26387608561812,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.207808599629953,7.958918844555136,8.701594593155972,9.43392989323172,10.153160206893125,10.856015890314024,11.539167980222752,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_81,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1278085564799991,0.7551985971971372,2.045359699905797,3.953961105900207,5.824579588093689,7.0669541948918,7.718156706940785,8.021855512914565,8.13564277769225,3.269374704544181,0.5651060422660458,0.0059461740492839,12.159594606361354,4.974091200528286,7.676834044366681,1.4492070944767494,1.3463070854388095,2.846088285123121,0.155419140070276,2.5896602060010183,0.3306610837805534,9.83991822859957,-0.2078843152639509,-0.5739907100761407,-0.155419140070276,-1.4512374358261595,0.2218676857313602,-9.83991822859957,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.0511907426945335,7.823163925023207,8.599161489768651,9.371892691449736,10.13414779963312,10.879388233067242,11.602122435644723,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_82,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2270476757112739,0.9384182915063668,2.1643791350128594,3.921787302922987,5.676265445678295,6.853953803614917,7.473880302600727,7.7634866540059075,7.872066834041987,3.2878067530945163,0.739900082425078,0.0239525799774575,10.56148356036974,5.486250442426931,6.211959700934226,1.7379065337545854,2.398711294712097,5.225985549723244,0.4284072563239662,5.825969345303826,0.2757132961285983,20.56170160003981,-1.8853612685275647,-4.20133889745892,-0.4284072563239662,-5.312619319119295,-0.0241717832981776,-20.56170160003981,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.657444143351723,10.346035225946787,11.03002300611587,11.702844047525517,12.358674559651112,12.992769843930562,13.601569867439094,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_83,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2181821017410689,0.9322287054228172,2.222656662794273,3.97104019735484,5.660382838989923,6.793570634430974,7.392193528467014,7.672476435897816,7.777669858473069,3.3524606055406823,0.7275178845325152,0.0232344030176372,10.656079636108178,5.728931934575224,6.146708555208307,1.8351844430466275,1.9656800726907864,4.325581215319856,0.3931360145381573,5.110768188996044,0.1375976050883549,17.69112065421708,-1.9656800726907864,-4.325581215319856,-0.3931360145381573,-5.110768188996044,-0.1375976050883549,-17.69112065421708,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,10.468704786898408,11.121895885028009,11.766805179410929,12.398734092913532,13.013243250863924,13.606603205122632,14.17597058979336,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_84,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2284922297096146,0.9402717620640584,2.1537368105667536,3.840884713994072,5.492713667774768,6.595764678322176,7.1757373508094044,7.446602823299355,7.548148586606443,3.238140450327135,0.7421432960600649,0.0241240623083661,10.231332485486467,5.349467466111219,5.975179779785915,1.7131140225724504,2.162876543841625,4.7079618389773055,0.3821706827881569,5.22024200614688,0.2570157073820006,18.457796374971267,-1.658830284039945,-3.701902764531139,-0.3821706827881569,-4.716195746345201,-0.010503770569709,-18.457796374971267,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.54406993846421,10.252150212027912,10.949228063402934,11.630759952320496,12.292378228246234,12.930362382387065,13.541855580715817,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_85,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1575704960056415,0.7790039275945803,1.900405930237816,3.5434861045650083,5.140411249930457,6.1871457685579525,6.73146302081504,6.9843516173101605,7.078949288906255,2.954118221640416,0.6022654393389806,0.0101166243920761,9.023583664071335,4.425423880515334,5.152638963254343,1.2857228694882736,1.82619115429546,3.80151155183904,0.1541234484507388,3.053786034405105,0.5239988515359525,12.19741514011254,0.2883271119732377,0.4173617577787893,-0.1534493600137056,-0.946345696725256,0.4161225489469908,-12.180562929186708,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM1709,6.971723829078848,7.762165608836311,8.543656490224421,9.311109708966894,10.060286667165588,10.787580200398809,11.48998425592586,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_86,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1572581625185355,0.7860027260170745,1.987547077568728,3.806255898273888,5.581098011688383,6.747563273091584,7.35529894146062,7.637932243463988,7.74370263668817,3.1523977468007662,0.6051504218384751,0.0099490128824809,10.212948272035105,5.13395937776937,5.5994280304724455,1.3795101104213747,1.5831602780568224,3.2633415671944817,0.1006004095186784,2.365231816478313,0.515915642897476,9.860324734277867,0.5913635189499992,1.0808412253484438,-0.0977589423026862,-0.2205434252394089,0.4455379782426411,-9.789288053878058,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM1709,6.926923672668949,7.69547139350404,8.461605830942707,9.219184726238128,9.962944611868863,10.688321444465036,11.391455495663289,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_87,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2147585393489041,0.8873061683045128,2.093173613657521,3.7852564098741657,5.328368049603531,6.304895844291531,6.804813557505762,7.035523942251746,7.121591363065694,3.192899797166516,0.6994915303037851,0.0229175859219927,10.68714531201374,5.0332431253134455,6.476612046474055,1.6004566145387598,2.1124368835683587,4.635297393538846,0.4095932961745125,5.389183252964458,0.1737954511899807,18.754050341332047,-1.9834960781767663,-4.378016077295312,-0.4095932961745125,-5.260242447572867,-0.1129198561321777,-18.754050341332047,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.481290885080584,10.26268751502752,11.021951241633632,11.75448728050712,12.456585918759131,13.125626674340626,13.76005118790952,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_88,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1002113147841101,0.7244894959189754,2.1783728908841256,4.081871645355701,5.711707348870535,6.730847940152876,7.253151945131785,7.494645232456304,7.58482687399326,3.4369459103000874,0.5207913696490175,0.0036160189798993,11.64908214479594,5.54844153257798,6.998173367576096,1.722426555685987,1.1992226224811469,2.626086006993693,0.2273564607171525,3.0180743082183668,0.1076221200074402,10.543242326748786,-1.074341984690378,-2.3770111364468214,-0.2273564607171525,-2.893193670427598,-0.0515274024945663,-10.543242326748786,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.962839467579191,8.745596985363951,9.51631268973422,10.27162795777253,11.00777353545935,11.721048850274054,12.408206014275462,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_89,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0999787953798095,0.7255677309166969,2.226979575172412,4.261420660773868,5.995824270669349,7.061884431208445,7.601982744526111,7.850279269506521,7.942773542883727,3.569460850020935,0.520717475726688,0.0035861446187418,12.650044258031542,6.136424351686077,7.37336972453309,1.8028896012163007,0.8223004641093034,1.7736652225288656,0.1295227677775692,1.858482606329857,0.1277327840218218,6.7019576760979,-0.4729272136663884,-1.076550634255789,-0.1295227677775692,-1.509109355886942,0.0370668465775235,-6.7019576760979,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.916388999650562,8.700908250423307,9.474125386057848,10.23239006115571,10.971696096848245,11.688166783368196,12.378432629350126,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_90,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2182462876171921,0.9015686092435132,2.1820083055159665,4.138786284181339,6.041389864122005,7.283975959184201,7.928932335712791,8.228337423029755,8.34029938925675,3.4350400047438177,0.709625158295528,0.0234249293059397,12.823363585809748,5.908007349034416,7.552912990385238,1.72195373309291,2.075605713116744,4.5592168714217,0.4070435566904046,5.3319541666399815,0.1622553303773547,18.518899699391813,-1.9948298537873024,-4.397988256200134,-0.4070435566904046,-5.251178307310539,-0.1226751593059281,-18.518899699391813,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.472396244387406,10.24342566019766,10.991473578869591,11.713203040608391,12.405604021092673,13.066382015405887,13.694067056513047,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_91,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175618460901149,0.8997341743071757,2.179088391520544,4.139206030074085,6.044772391816921,7.285555891897872,7.9279584079592444,8.225767112120469,8.33706323760611,3.433758143084,0.7080812796598004,0.0232910601306457,13.14094065768958,5.988241721221174,7.727483082073728,1.7233922115887992,1.922004404625817,4.211169798351493,0.3665073005576704,4.85406280908718,0.1721168270955423,16.94016803428249,-1.743068600950887,-3.854013934216333,-0.3665073005576704,-4.675127005412249,-0.0844382832948266,-16.94016803428249,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.452740659961814,10.234419582933334,10.990700619033108,11.71869791400087,12.415795896267587,13.080029172255074,13.7101955904563,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_92,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1123615393576333,0.7567841066008592,2.2932124505062745,4.557804976802182,6.629453139446949,7.944736746878572,8.619633872358653,8.93146571978204,9.047855880821476,3.763916832125144,0.5501409178600296,0.0044144446029172,15.19741144041862,6.899285902684541,9.340537369176996,1.9126565913116569,0.9427513951385234,2.007785416912253,0.1232484964368571,1.9287393666333803,0.2031263411004764,7.17872690442976,-0.2897335692300482,-0.704361836398936,-0.1232484964368571,-1.2757215407249052,0.1168523935946765,-7.17872690442976,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.390025560513281,8.246353278611137,9.0790197859428,9.885396388249276,10.663227417193209,11.410501905570278,12.1255394295584,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_93,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4303330913679056,1.3974641860317514,2.611933420655016,4.185235389208247,5.793033248822524,6.892623043465622,7.4760710455814205,7.749517324610966,7.8521689349543475,3.615523886029022,1.158648906018713,0.0568563448948425,10.559160409156076,7.058826069095177,5.271517875427735,1.801180377811661,3.73565008910125,8.21977917651304,0.7464364193549807,9.707141443941095,0.262850783217149,33.60697883260586,-3.728714104448557,-8.205942378331379,-0.7464364193549807,-9.700205459288403,-0.2596547103313369,-33.60697883260586,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,12.799139186023243,13.466266529434304,14.09186838321337,14.677912664756334,15.225773367153437,15.736801975109636,16.212549817585863,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_94,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1220125713376689,0.8272475976806402,2.423577205450177,4.552149234771729,6.440495164144034,7.637089015835029,8.252260068386379,8.536877855965047,8.643178052441598,3.820110970001896,0.5989516209548955,0.0053532848528759,14.47968269111358,6.923252232010049,8.472928762881299,2.192253809482763,2.084154068094821,4.459111830567715,0.2926401751476258,4.425275469275828,0.4023178105509644,16.273573843426625,-0.8422476833814376,-1.9805873964468688,-0.2926401751476258,-3.1833690845624445,0.1974696879476265,-16.273573843426625,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.685455204960394,8.410348598115103,9.12655417577218,9.83453386481814,10.532282091122587,11.216461336844256,11.883329290450694,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_95,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1271895270378512,0.7776356836909317,2.146251109940307,4.043288907117028,5.808533641571876,6.959399868603516,7.5593042399700385,7.838586092759872,7.943161934515266,3.378793624758705,0.576519538457898,0.0058723401845218,12.12063054505549,5.2827757438505785,7.477022868211622,1.6662147525651383,1.3350027536885751,2.7971367400279585,0.1297938633855091,2.3733536607726484,0.3740371075450814,9.27089103615306,0.0370641198334839,-0.0590447165791301,-0.1297938633855091,-1.001286787250589,0.283181403175225,-9.27089103615306,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.194474844993797,7.945730766111158,8.688664951856246,9.421336852799069,10.140957467584686,10.844239052474435,11.527838812548934,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_96,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1278323436620788,0.7552526814680847,2.0452162451770866,3.9529351468617087,5.821908753323269,7.062759868379084,7.713036592051437,8.01627539952804,8.129885824012295,3.268751247838583,0.565158810509198,0.0059485205752545,12.156393914249527,4.971394354924767,7.675884295259944,1.448564802995301,1.347291642407182,2.8481382074006327,0.1555021463301017,2.591308813047996,0.3309651422678307,9.846501138637944,-0.2077298208938361,-0.573767383709349,-0.1555021463301017,-1.4517469915346506,0.2221136398367596,-9.846501138637944,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,7.074479173193317,7.844846813792139,8.619450499044332,9.390951252778352,10.152103394071649,10.8963418601942,11.618155875679689,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_97,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2269581979200941,0.9382912874310464,2.1630950799631243,3.915132783442169,5.663245318368947,6.836847711283605,7.454725879435343,7.743400902770999,7.851636120893263,3.283362409767569,0.7397847395292674,0.0239248625903874,10.512346664517262,5.4722364893359385,6.181318105452232,1.7357883200272484,2.4024862690846924,5.2342647258212045,0.4291350196802382,5.835566426526598,0.2760347305229986,20.595131739028226,-1.8888639277176904,-4.209074532452671,-0.4291350196802382,-5.321944085159595,-0.0243597832531678,-20.595131739028226,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.659033698981064,10.346992587531462,11.03055235397292,11.703083759464723,12.358718934818969,12.992683295866282,13.601396429311592,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_98,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2181540734848086,0.9321149913833348,2.222469462042003,3.9696141674947913,5.6563158592969,6.787274072131138,7.384629166020173,7.66430252181854,7.769264893217555,3.3516813995581907,0.7274206452771325,0.0232362212425785,10.63703688247874,5.726052377143367,6.134276489865627,1.8351792025018216,1.96105636275207,4.315406501166793,0.3922112725504141,5.098746543155382,0.1372739453926447,17.649507264768634,-1.96105636275207,-4.315406501166793,-0.3922112725504141,-5.098746543155382,-0.1372739453926447,-17.649507264768634,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,10.470374362559904,11.12203190560933,11.76583293194753,12.396975275949336,13.010939746044054,13.603935707257904,14.17307319589553,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_99,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2284745259488156,0.9402178761298504,2.1535495100936046,3.840278635300719,5.491980673893703,6.595162655083138,7.1752670037249695,7.446207568448358,7.547783616341014,3.2376709085046453,0.7420955869127941,0.0241226691210662,10.22534303612782,5.347926412384643,5.972368982239653,1.7130248683135043,2.149497659801199,4.678332846733071,0.3793124533059465,5.18399728624877,0.2564226020879862,18.33373736512492,-1.643626873258265,-3.6686349307399975,-0.3793124533059465,-4.678126499705836,-0.0090961152261759,-18.33373736512492,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1709,9.563604886263589,10.269267071505404,10.964418046724113,11.644389136463632,12.304722142422696,12.94163083200985,13.55221047462647,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_100,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1183627759528871,0.7673577928598994,2.3160734774060447,4.542632893067163,6.4778387066538325,7.666031051792889,8.266127733971425,8.541491145031003,8.643980647134153,3.77569250996576,0.5606569248622831,0.0049545579498374,14.935752870014422,6.767675849510654,9.116396997625865,1.9829200711327248,2.175563455765234,4.583836623639465,0.2360437224496584,4.0639132353625005,0.5702221405292021,13.238254503322755,-2.173071552399011,-4.578871007801593,-0.2360437224496584,-4.061421331996278,-0.5692253791827129,-5.657702809481034,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1709,8.10994613043386,8.959576394130638,9.792240420495196,10.603095246070732,11.387311992391597,12.1406889747632,12.859988133395374,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_101,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0962866281907164,0.5895374659763376,1.7997998364283574,3.823811508206273,5.842534682929082,7.169313420116963,7.85894892054825,8.17920079137811,8.298968405009703,3.085892859012034,0.4330161215615138,0.0047570963561211,12.536986444670758,4.286846204956334,7.810291077839153,0.9330595089306528,3.715720578483813,8.203308798857398,0.3331030566705954,1.8549201211110489,0.4342296675029013,12.10411281919371,2.6998795282053982,6.111471515848297,0.2703135980944083,-1.4734865620718751,-0.2816562438872318,7.685366680950357,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM1709,9.840188081494883,10.720118180131935,11.570532560623136,12.386127258682532,13.162478853320312,13.896515202725723,14.586580232175493,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_102,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0980752052195315,0.5988298910157713,1.7777879331746205,3.599490704077497,5.419348687764139,6.6485460924633415,7.299288790873354,7.604240834635406,7.718733512940224,2.9421811161977875,0.4396893507877037,0.0049414380576068,10.618191132108576,3.842319486121733,6.491403400900997,0.8855039373059314,3.299363933974996,7.280427284353735,0.285793410286503,1.4984281425978991,0.3894416493186919,10.498973779790246,2.642849538125383,5.94280303181877,0.259177666202713,-1.0059254353896816,-0.192440566435405,6.9718304803975615,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM1709,9.500228973680835,10.40205732861496,11.271293992420585,12.10289280759021,12.89300732845112,13.63915726541486,14.340172720954754,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_103,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1008815889767534,0.5791047816197928,1.676435631269921,3.4642768214984603,5.286472066919798,6.516625937364505,7.166111622284345,7.469973330152169,7.583970624707121,2.8109969419352385,0.4314311990664379,0.0052420923264293,10.828486980330938,3.4443549775902094,7.012051910440123,0.7643651037547965,3.0173407636878875,6.43596350671101,0.4041528241131699,6.250563356593247,0.6297760435694081,19.128232059571136,-3.0173407636878875,-6.43596350671101,-0.4041528241131699,-6.250563356593247,-0.6297760435694081,-13.20399386948246,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1709,11.439507444531264,12.209243353754898,12.946155315456528,13.648644779029713,14.31536424417196,14.945457893488944,15.538652950713384,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_104,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0976685969153986,0.6106059098090192,1.931986522352212,4.010736562869948,5.976315043018856,7.242861376443483,7.896816436761692,8.199763437022549,8.312956447801483,3.271103563500448,0.4440544098401029,0.004860193587307,12.37096494571738,4.941083917689923,7.424703334322835,1.2512226967743605,3.90749070305428,8.539322710474307,0.3656035759439778,3.117357266095892,0.5802584393553782,15.144404844939052,1.4197945356560973,3.332633677768379,0.1297246966573835,-2.7433547533991285,-0.4306574342766729,3.839237109991467,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM1709,10.50814492913841,11.345106434641986,12.143845906484648,12.903551874615795,13.623291550270178,14.30246397456644,14.940998329316209,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_105,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.118425490634413,0.7676217900734617,2.31664992199209,4.543003028738993,6.47725159495625,7.664501403349978,8.264028540873026,8.539111030010393,8.641492942181328,3.77623643949421,0.5608605616525878,0.0049594657736177,14.934476452750468,6.770077552676222,9.114921545007425,1.983269770093886,2.176838530524033,4.58658938759167,0.2362469739524195,4.066814322143389,0.5704156597327781,13.24666239214436,-2.1742479766592027,-4.581427190905221,-0.2362469739524195,-4.064223768278558,-0.5693794381868458,-5.666048293373353,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1709,8.120504674768457,8.969786337015083,9.802046255268536,10.612460129044049,11.396215230137685,12.149123199881522,12.867956448703929,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_106,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.09625241321903,0.5894948477892819,1.7990346817435665,3.8207695839945246,5.837877530463175,7.164089764898352,7.853575313345122,8.173789067093459,8.293547394274897,3.083653348972066,0.4329727195927665,0.0047534419851783,12.516349694530708,4.278305943827481,7.801063092304855,0.932061631916832,3.727444546600547,8.229779880887975,0.3346657802552258,1.864258866546752,0.4345552750612724,12.146104704347858,2.7065413443463124,6.126672072153185,0.270735809357521,-1.4842888717273612,-0.282567277133516,7.68905589434271,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM1709,9.818992073671808,10.701795399532667,11.554650651125431,12.372316032944086,13.150423952382203,13.88595122802454,14.577283996323434,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_107,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0980839093591927,0.5992160281098129,1.7786796323398009,3.6002925697591297,5.419748595360446,6.648575824548941,7.29909843839221,7.603942458918333,7.718393835782709,2.943067811829792,0.4399398106912375,0.0049405981980557,10.615908095127958,3.8439952591417454,6.491138782708701,0.8877554226712747,3.3129078798335065,7.311402494030663,0.2872734550426356,1.4992453789312383,0.3894163647514905,10.52826531023329,2.6602349723437824,5.981768552983432,0.2609732304564781,-1.0085693817450871,-0.1931459658770301,7.022876340856236,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM1709,9.490287285993434,10.392930479210856,11.26291200366886,12.095197292415252,12.885944760653947,13.632676463243303,14.33422438206403,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_108,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.100872791805813,0.5789814072742256,1.6753508634543255,3.460532141861889,5.278991951477161,6.506269106199606,7.154160920770486,7.4572630879312385,7.570973414633166,2.8083643767826416,0.4313682040580693,0.0052411473198625,10.812214716112496,3.4355793091920743,7.001508026962466,0.7626022069898025,3.008879744363402,6.417304428443704,0.4024213487957622,6.2282505347295,0.6292662422669665,19.06861220977463,-3.008879744363402,-6.417304428443704,-0.4024213487957622,-6.2282505347295,-0.6292662422669665,-13.125095693886344,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1709,11.470667051045544,12.235569929978276,12.96858431424077,13.667905495736507,14.332029432273568,14.959980552807693,15.551393871974772,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_109,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0977487121115015,0.6104115804656807,1.9313739198751283,4.009661506466008,5.9748153375130215,7.241240581963055,7.895191817257397,8.19815096591514,8.311350776931233,3.270216596298693,0.4439813386603435,0.0048698651296483,12.358500868859688,4.93663873617525,7.419143255241368,1.2504626599863,3.897985801702745,8.517650606957208,0.3649646339796024,3.123459855589492,0.5799578095586122,15.13538214275126,1.4028167836075078,3.294527320612975,0.1276011017470738,-2.748314627546002,-0.4298997183412162,3.7651147132326623,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM1709,10.56312689765052,11.396002407469224,12.190999162691485,12.947277235582384,13.663877677751865,14.340175531853992,14.976077808494573,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_110,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1183532305654374,0.7673436831633225,2.316109378167188,4.542743957073144,6.478011821574207,7.66623960886027,8.266352877699255,8.541723537470187,8.64421567457742,3.775778266127299,0.5606403746403625,0.0049534727624676,14.936639425444817,6.7679754842954525,9.11686516602514,1.9831037145521893,2.175671878684775,4.584074374066047,0.236064530772371,4.064188124863743,0.5702331073468074,13.239004701147584,-2.173214132312483,-4.579176822869981,-0.236064530772371,-4.061730378491451,-0.5692500087978908,-5.658446492503556,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1709,8.096349802398953,8.947020595036022,9.780618820263587,10.592313248549369,11.377286966777827,12.131349123447023,12.85127093007289,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_111,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0963248490918261,0.5896555187751082,1.799919169473419,3.8238416641760486,5.84253957265443,7.169338012983536,7.858993379617503,8.179256491089784,8.299028620762392,3.0859504439172323,0.4331173244414725,0.0047608507785858,12.536193202269342,4.287005855700926,7.809749878260842,0.9332482746407308,3.716692532838658,8.205506664500788,0.3331392135269219,1.8539391732786807,0.4342863183216919,12.104476152615913,2.7021601871276464,6.1165133547064094,0.2705763955097917,-1.4722425436795112,-0.281607666482024,7.693480283934859,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM1709,9.8383111570513,10.718280112985884,11.568727377530571,12.384355099789166,13.160743426674436,13.894821656236177,14.584933747046728,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_112,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0980685302467064,0.5988027800137339,1.7777746253169646,3.5995949831970875,5.419562116817811,6.648825365525836,7.29960175554375,7.604569471779234,7.719068025783374,2.942241514629456,0.4396684742800598,0.0049405860271341,10.618129977679372,3.84256616925236,6.491273236067703,0.8855121062362067,3.298590806775312,7.278679558603781,0.2856644355004643,1.4973561140789828,0.3894334795080404,10.495406339364438,2.6428377645865404,5.942738844786317,0.2592089213928747,-1.0046611116505224,-0.1923554785366563,6.973710762918556,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM1709,9.506714819359503,10.407861221732226,11.2764865443675,12.107542905434292,12.89717933699279,13.642909545484155,14.343557128404576,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_113,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1009062163238497,0.5791798098883988,1.6767824330108303,3.465335617292536,5.28824003591144,6.51882962953942,7.168531703625847,7.472491613124328,7.586525267904341,2.8117882401372216,0.4314913044750055,0.005244557526067,10.83377816102488,3.4467237563150595,7.014933848839461,0.7649116467697752,3.016631896277956,6.434403087525542,0.4040105426050503,6.248716237118359,0.6297274897055928,19.123264907440287,-3.016631896277956,-6.434403087525542,-0.4040105426050503,-6.248716237118359,-0.6297274897055928,-13.197578500963749,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1709,11.430958477284593,12.201754091215118,12.939546558827082,13.642770198222273,14.310105848739036,14.94072084778418,15.534360835036466,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_114,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0976475669242337,0.6105122683237227,1.9318735927292687,4.011160915194731,5.977479661947492,7.244519556797857,7.898725063602356,8.201786413051918,8.315021841781522,3.2712872478891937,0.4439840729300281,0.0048583279659611,12.375120271288356,4.9419950852014045,7.427021047464039,1.2509810411720872,3.909031754632767,8.542736016860275,0.3658585028950524,3.120164733363477,0.5803731831053883,15.152984539183322,1.419075727039306,3.331120257480628,0.1295728363622422,-2.7463706442643496,-0.4308555474657375,3.832587432375282,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM1709,10.476645401722674,11.316839244409575,12.118397765090345,12.880562494926648,13.6024509586182,14.283506843016452,14.92369774068827,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_115,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1184286043219765,0.7676433503523646,2.3167852267402416,4.543241678246996,6.477443510312893,7.664602744371126,8.264068174060945,8.539119036481019,8.641488666341347,3.776457018462681,0.5608732337417169,0.0049598733436909,14.935787491444628,6.770973036736182,9.115036344221474,1.9834417110110727,2.1770957459562794,4.587160195421429,0.2363031091138722,4.067520618867257,0.5704236213446406,13.24850982092012,-2.174500967405064,-4.58198958020242,-0.2363031091138722,-4.064925840316041,-0.5693857099241542,-5.668712800945743,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1709,8.122629574760653,8.971544369731273,9.80345696649294,10.613554715876882,11.397030293710785,12.149696492950994,12.868324233720644,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_116,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0962889899112138,0.5895861301869685,1.7991329459837384,3.8209195436294334,5.838042817176222,7.164238141899779,7.853707755257746,8.173912649020252,8.29366743996853,3.083785456828764,0.4330570771575603,0.0047570179407108,12.516357694127676,4.278676273020273,7.801185626411676,0.9321918648180249,3.727126449201149,8.229060477925238,0.3345970283341811,1.8635331102273964,0.4345617630529341,12.144135137111952,2.706738345840962,6.12710202714835,0.270785580418779,-1.4834944027148869,-0.2825462800479301,7.691483682933322,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM1709,9.821776377111089,10.704488462192373,11.557247215548012,12.374815413407374,13.152827227978255,13.8882600575378,14.579500217015148,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_117,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0980947873167448,0.5992382130516576,1.7786360691884882,3.6001489340330624,5.419563022661055,6.64838328467068,7.298906602684169,7.603751744131684,7.718203655489516,2.9429530124559724,0.439963388592934,0.0049414764823728,10.615253861190562,3.8435111678581446,6.490774877312354,0.8876478449841955,3.313926045299294,7.313714081098554,0.2873660491692422,1.4991339734808533,0.3894447688421975,10.530229710315403,2.661693713898013,5.985025179119556,0.2611300128537415,-1.0084748345133845,-0.1931811132552097,7.0274925628580345,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM1709,9.490130566425398,10.392742769445412,11.262684865801042,12.09493165630228,12.885646104653024,13.632351948247456,14.333881281602071,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_118,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1008703626556104,0.5789710037165603,1.675275765567531,3.460265337834067,5.278505682441354,6.505639197676076,7.153457801013896,7.456526380629088,7.570224216518566,2.808173891982152,0.4313613606905166,0.0052408529567175,10.81072082787941,3.4350143665555386,7.000532702225783,0.7625192230533548,3.0090499890158338,6.417682618502187,0.4024588763997248,6.228721000213632,0.6292708541783367,19.06983870907642,-3.0090499890158338,-6.417682618502187,-0.4024588763997248,-6.228721000213632,-0.6292708541783367,-13.126871402901564,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1709,11.466179665012769,12.231479888259006,12.96483833908328,13.664461975124327,14.32885457965726,14.957046118172752,15.548675721779295,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_119,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0977482109641035,0.6104054970022643,1.9312773980669409,4.009292735357759,5.9741805294922825,7.240461138512737,7.89434829324416,8.197280317563227,8.310470413993894,3.2699522565356167,0.4439787568035834,0.0048698555803786,12.355787371284858,4.935829126462004,7.417580019735069,1.2503457461697167,3.898581951632464,8.518998168669075,0.3650047714181992,3.123195418314757,0.5799897627219877,15.136203945573826,1.4038180392415505,3.296762515630979,0.1277185225369075,-2.748028366991811,-0.4299229421928093,3.768918733707428,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM1709,10.559792772997254,11.39301546167878,12.18829603953517,12.9448084923437,13.661605205843411,14.338070060391647,14.97411676039651,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_120,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0751682913981421,0.3432561714629117,0.9842474040212036,2.2015390939467783,3.5558091413247275,4.506259876564349,5.016333026105837,5.256612807751768,5.347005993436444,1.7393637470159502,0.2636926318436823,0.0058429845691548,6.093648826230965,1.2303055757623635,4.046101452595578,0.0623506356709915,4.322027237656663,9.200301081414205,0.4704138404786718,7.183791947466339,0.932993377790163,20.48320367075869,-3.098500504344216,-6.435530242200724,-0.3416215527615723,-7.183791947466339,-0.932993377790163,-7.938035092649855,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,15.456218611335364,16.157330986877973,16.77701015116237,17.330314532814395,17.828524641638438,18.280190649191923,18.691880878782687,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_121,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0612836086955843,0.3914722534647303,1.5207992681704632,3.585950104599133,5.59265277226651,6.882456853026892,7.545685675788381,7.85221762769402,7.966631473243075,2.836731119119408,0.2762571183729397,0.00370577760858,10.78041055242793,3.8633659780201337,6.422607658609788,0.6370885027987515,6.58047210091941,14.33642672654072,0.7501422827643734,8.452037692171372,1.054749974619818,27.74039466601827,-0.9760520476052998,-1.672267691652455,-0.1602033297839408,-8.452037692171372,-1.054749974619818,-4.121701773172734,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,13.144194392371825,14.125049344497768,15.004984513405573,15.795045952825603,16.505233368723733,17.144471725020352,17.720672730119183,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_122,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637967074886339,0.3669448413680721,1.2891860139790905,3.06809045449681,4.958160734722479,6.239878380968535,6.915752414458798,7.231598528098781,7.350024241378296,2.401621734406921,0.2666164508036921,0.0040919859362482,9.235410718097894,2.6486799325256185,5.679345217985407,0.3178212150136997,5.046202544919086,10.94841962929216,0.5298240345009733,6.102220643944634,0.8852416536141386,21.25279500336763,-0.7269947333003334,-1.1884205373743624,-0.0751705806463677,-6.102220643944634,-0.8852416536141386,0.077983473210697,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,15.07121308395472,15.85858456808148,16.563513457472013,17.196914323647146,17.767783963340058,18.28361721086265,18.750736816328505,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_123,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0718811550196021,0.3842682238353491,1.3597547056682489,3.187236824811754,5.054463911979743,6.293689747880653,6.940754834558585,7.2418454396498095,7.354540940918884,2.5126704341832418,0.2806477494512592,0.0052685577559457,9.706849312127652,2.9307369391912323,6.021723219002183,0.4622510061511382,5.9869558308097774,12.86983820754909,0.7468879580065815,10.460649780317492,1.0939923247527517,28.05801701086772,-3.949328361070219,-8.265465572171884,-0.5324008559287331,-10.460649780317492,-1.0939923247527517,-16.717091476868298,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,15.948663571650991,16.596075413890464,17.1748982181324,17.696779705742486,18.17039819575903,18.602354904327346,18.99778609239468,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_124,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0750930880078692,0.3434477911601152,0.9871716917837946,2.2100829647188904,3.569790008946611,4.523599821748701,5.03534483993867,5.276383584614691,5.3670577736818,1.745850547087709,0.2637103833354045,0.0058309781834212,6.1313236002780105,1.243061186198119,4.06569171139532,0.0632605727533279,4.353163767547003,9.271509669226951,0.4759518399122385,7.227213796781688,0.9327330538525116,20.598862975155985,-3.0861831167469136,-6.408547167626025,-0.3425854556174922,-7.227213796781688,-0.9327330538525116,-8.04994236838459,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,15.381991256375688,16.093160639424276,16.721317717885356,17.281807121682984,17.786135062375465,18.24303078934633,18.659206474632136,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_125,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0613967690911049,0.3912533855611075,1.522334183195932,3.5902222242164754,5.596992471007117,6.885879999208016,7.548419977369367,7.854591103865637,7.968863889343406,2.84035820274158,0.2761093746673584,0.0037261003243953,10.801125346576235,3.8756232078955337,6.4292984786832825,0.6371472881771156,6.572202473483357,14.316338309260976,0.7504210266914436,8.482524840695145,1.0547341646467043,27.744705059517084,-1.017354539192252,-1.7641960741542528,-0.1657001915029062,-8.482524840695145,-1.0547341646467043,-4.3195375772851605,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,13.289628643419094,14.252576960416317,15.117193467160414,15.894176108280764,16.593187973971194,17.22285419716866,17.79082941494567,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_126,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.064047938412042,0.3666714313005196,1.2877473407955016,3.066499625945358,4.957014698592759,6.239231532772889,6.915425149810165,7.231433243771749,7.349921714576756,2.3999834470250234,0.2665956461829426,0.0041305585679431,9.251171430205476,2.6466793331454475,5.686363429400698,0.3133175975446869,5.015184526485966,10.877069583479557,0.5267054156215805,6.105211861133519,0.8838826672963028,21.171402644523464,-0.7759913967590566,-1.2978775415267398,-0.0804745598608532,-6.105211861133519,-0.8838826672963028,-0.0798964973617166,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,14.91600229511284,15.712318896491624,16.426212394268077,17.06829444190137,17.647409149366926,18.17098454940373,18.64532467130886,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_127,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0716921318635273,0.3841973959936148,1.365048084879595,3.2055605673141265,5.085456963052361,6.332574416455242,6.98361767125665,7.286529331543779,7.399901772703148,2.526190131212251,0.2803846244956173,0.0052416074649727,9.797909320763312,2.968561983902646,6.0640123623868245,0.466778609918292,5.987563980585324,12.87472502283758,0.7454952850895401,10.4020698083006,1.0914166406221986,28.00099933667532,-3.884730222941052,-8.123007471796587,-0.5241443632322483,-10.4020698083006,-1.0914166406221986,-16.436388354587276,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,15.747792718517363,16.417892360412093,17.015798946457164,17.553847988172727,18.04127646789248,18.48512744322509,18.890883473953053,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_128,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0751655715664,0.3432685796322546,0.9842606398703252,2.201130663790852,3.5547494759859632,4.5047209577037775,5.014535774123005,5.254693956457862,5.345041430088682,1.7391500797603177,0.263695901299908,0.0058425763918612,6.092073995212151,1.2295490471720518,4.045590408908202,0.0622991440817656,4.321651252148578,9.199293715853592,0.470370587300378,7.185075627841162,0.9331454218716444,20.483830857354835,-3.1008465284701234,-6.44067372946189,-0.3418648269131723,-7.185075627841162,-0.9331454218716444,-7.944408640119426,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,15.383919309621197,16.09384672933388,16.720872395849586,17.28034143624374,17.783763394245888,18.23986940130605,18.65537038247227,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_129,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0612903846455211,0.3914904320427185,1.520987993279002,3.586404367132959,5.593268671726153,6.883139419139655,7.546393237456014,7.852934814907151,7.9673519547809315,2.8371024074832296,0.2762671651160918,0.0037068007157081,10.783307562886232,3.864349107804114,6.425095512729422,0.6374782309919511,6.582187221279786,14.340274045879212,0.7502924629551445,8.45239736256666,1.0549412951658066,27.74577415345608,-0.9742971009418332,-1.6682737927678983,-0.1599882397616757,-8.45239736256666,-1.0549412951658066,-4.114050441632632,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,13.064696556651818,14.052699737575436,14.939219252938624,15.735251554522458,16.450804376743797,17.0948399259412,17.67531989936914,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_130,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0638078602931472,0.3669894881198708,1.2893151617560872,3.068360379167773,4.958546505347505,6.240318014508085,6.916212327385184,7.232066032810795,7.350494287213322,2.401841619714448,0.2666503900638802,0.0040933268917149,9.236965414540318,2.6491004244047294,5.6805664960138165,0.3179689831499194,5.047432560060057,10.951193472389328,0.5299648984833896,6.102929403269735,0.8853443913013203,21.256884869478483,-0.7259879494535321,-1.1861399452506254,-0.0750759921037554,-6.102929403269735,-0.8853443913013203,0.0804536989284087,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,14.940489368744831,15.741124583550125,16.458019393783886,17.102067849084527,17.68234079454208,18.206448180799818,18.6808399161831,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_131,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0719015007172081,0.3843687797931115,1.3598897646151231,3.187089229233756,5.053937910816502,6.292900175676913,6.939825864294415,7.24085131436388,7.353522387560663,2.5126459529465714,0.2807225061590221,0.0052712545827833,9.70748931142113,2.9301872479682416,6.022902364010635,0.4623589641548501,5.987593548510808,12.871020105502778,0.7470303835890768,10.464653187795305,1.0942616905962312,28.06398845576889,-3.9529874657155033,-8.273474817898217,-0.5328613222422024,-10.464653187795305,-1.0942616905962312,-16.732221248325878,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,16.06513267622581,16.699557396793924,17.267327089027653,17.77976094551519,18.245258807913725,18.67019318721453,19.059515107668567,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_132,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0750606681852705,0.3434189522566859,0.9874677607558352,2.211337572103538,3.572205835834631,4.526826900656049,5.039001653612388,5.28024124055009,5.370990712634932,1.746720493613386,0.2636675141009251,0.0058259152144765,6.137637958127785,1.2449343351179738,4.069266449630124,0.0633951295530081,4.354525364465052,9.274681333511593,0.4761976305774683,7.22863206359794,0.932651846725242,20.60328389046668,-3.084953038447173,-6.405862492305027,-0.3425584383650601,-7.22863206359794,-0.932651846725242,-8.053178522521813,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,15.374376022522204,16.0865291284302,16.715552779245964,17.27680180319246,17.78179370242827,18.23926861999127,18.655948748490623,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_133,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0614019731605497,0.3912837041341631,1.5225265991266907,3.59071992031816,5.59784248902521,6.886998069638177,7.549688758888547,7.8559324276088285,7.970232749993792,2.840741525726904,0.2761277642242118,0.003726768221361,10.80403390269299,3.8769950506688406,6.430471730446942,0.6370486093703849,6.571891073063219,14.315664614146868,0.7504852288838966,8.483845282921484,1.054604341194204,27.74454583879997,-1.0185607299885608,-1.7669516395759697,-0.1659241401391956,-8.483845282921484,-1.054604341194204,-4.329782077008259,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,13.313453441085628,14.273932737628517,15.136403136117677,15.911521675636454,16.608911036096544,17.237160134091088,17.80389252463094,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_134,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0639961228512421,0.366533638674583,1.2874980621479712,3.0660665239634133,4.956347383635452,6.2383912113444735,6.914491079178255,7.230454973367172,7.348926821136085,2.399623544605604,0.2664781632406239,0.0041239064687388,9.249239989291596,2.646300806764784,5.685008207438623,0.3131055966898927,5.016488960176969,10.879931045813372,0.5269493379951619,6.108390596754009,0.8840047048822248,21.177828466654525,-0.7771912258697663,-1.3005026316707469,-0.0807074712259825,-6.108390596754009,-0.8840047048822248,-0.0901598560855256,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,15.004785760060274,15.793478426416373,16.50031623333724,17.135975209152033,17.709295784323285,18.22766906060612,18.697348096971893,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
RSM1709_135,RSM1709.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0716723430176514,0.3842505871687162,1.3656621090902832,3.20667526628393,5.086682508854807,6.33378375822056,6.98480430653096,7.287703194457273,7.401070562076482,2.527187832669102,0.2803901215338418,0.0052386879212557,9.799867049325629,2.9710962882644294,6.064222003682627,0.4673689655475246,5.986312442850684,12.872246019352865,0.7451828874458399,10.395129973311846,1.0910810407377916,27.99075525287148,-3.879150599064568,-8.110748407093123,-0.5233763775736173,-10.395129973311846,-1.0910810407377916,-16.40881902280953,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM1709,15.611296748717132,16.296930772828464,16.908049294274363,17.457383795710573,17.95450105476435,18.406714671798483,18.81972770989744,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1rna.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])n1c(C)nnc1c1ncccn1, nodes [Co], topology rna"
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RSM0280_1,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0052756857272091,0.2191708090215949,1.3239579115545284,3.2452630634924176,4.99871941628731,6.09186367643006,6.646884753809758,6.902073338505,6.997126331681478,2.5660966568900703,0.1214699305042312,7.858763343932135e-06,8.092724326542621,3.151855286287997,4.637833413162043,0.519005278945622,20.14754882185621,45.61654499110802,1.9188141735101152,4.797035433775288,1.4774869136027886,63.32086772583381,-20.14754882185621,-45.61654499110802,-1.9188141735101152,4.797035433775288,1.4774869136027886,-63.32086772583381,0.0,0.0,0.0,5.0,1.54,0.0,-21.0,-47.5466,-2.0,0.0,0.0,-66.0,RSM0280,19.847360786432787,20.351245482091844,20.75442552077405,21.081279037011683,21.349432825080594,21.57182739116644,21.758100908895845,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
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RSM0280_11,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420995427617006,0.4631820172691808,1.1096775555997642,2.128856336671941,3.094863324640536,3.7151100715290575,4.034573238325399,4.182389955298789,4.237592456084709,1.7651009228846806,0.3745595097987792,0.0206254431299621,5.532316208643678,0.9684483140854978,3.8857431888900287,0.0498547007165453,5.488613791801433,11.791008550006415,0.8426293759237218,11.812914731204351,0.7962162948054996,31.77540026889597,5.488613791801433,11.791008550006415,0.8426293759237218,11.812914731204351,0.7962162948054996,31.77540026889597,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0280,3.6099216031643926,4.338740173655042,5.0798773538794935,5.814606737987269,6.529454803827958,7.215571551823831,7.867840361664906,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
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RSM0280_17,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581381289404137,0.7755030751046803,1.797974089789616,3.22193588508894,4.5915749419441205,5.486345211725678,5.950849456192879,6.166476503651746,6.247106376101824,2.714197649528935,0.6035719452763406,0.0097377717567766,6.720932661993495,3.538283332876906,4.003215211084582,1.1182556671026314,1.4332124594648872,2.936187716079874,0.0755186152860555,2.037361381753332,0.4961821408005208,8.676434603045548,0.6780263066043319,1.2743613170302734,-0.0755186152860555,0.073877384315888,0.443319110100282,-8.676434603045548,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0280,6.598581564555489,7.410607738527352,8.213743485216044,9.002464839750697,9.772290421037123,10.519414834144268,11.24064761596776,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_18,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1555249441093905,0.7706016351312286,1.7850614458334912,3.1588343161915606,4.470925141777592,5.330198293788032,5.777427357904114,5.985331813149614,6.063123694179185,2.671645773263363,0.5984746479846588,0.0095780829031245,6.518612010367442,3.4630634503696385,3.778019440199351,1.0918533080712811,1.4469307618261262,2.925261616541309,0.0493994674020027,1.644669787447376,0.5198522241545672,7.71666001990672,1.0763464194778818,2.1097715008181948,-0.0247174010676461,0.6811502229620615,0.4939112607412164,-7.000880279130295,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0280,6.918022086729048,7.728501498469342,8.530037151053087,9.316489581773602,10.0829077868175,10.825254414435646,11.54032066811384,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_19,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0752355665233322,0.5943126142866788,1.8301646599159829,3.365229340864857,4.601420795929813,5.345644736179737,5.720225311311716,5.892048642718913,5.956005082097469,2.857017881558521,0.420841123143447,0.0025427237085324,7.7751592054542655,3.6362002362815073,4.846313729106725,1.2197763269756257,3.3333282951325507,6.835834580018664,0.3592710291092173,1.8598748455207856,0.1168577686516424,12.630804785513243,2.428075366347612,4.843778437075112,0.1782204433522295,-0.5653176235109472,0.03799084522867,2.90875801307479,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0280,8.478949779388898,9.285667460476429,10.081191476248716,10.85951519588778,11.614917992970495,12.342546376325547,13.038688989318048,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_20,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171950456057382,0.8998242028262291,2.043838786788412,3.4550193733974486,4.664641823154092,5.414436269133436,5.795580022156,5.97101436959817,6.036395399182468,2.976118834447006,0.7091577530682596,0.0234885596815197,7.401016335389393,4.266870165968402,4.415942824468856,1.5203121529814043,2.1401534712108337,4.553630864489215,0.3239874413055469,3.513268649512,0.1506172870650658,14.031829400710691,-0.3474443806764053,-0.9204575636769518,-0.1735321290719008,-2.977198546805881,-0.0284356652061037,-9.683767200208996,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0280,9.545259244417888,10.326817910424891,11.084118784444504,11.812755393263936,12.50964212194185,13.172752068745192,13.800954258042363,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_21,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2181890503629811,0.9015740095935578,2.029980370228549,3.333179857564823,4.375904110525539,4.998752971727469,5.31028400686847,5.452702766233763,5.50563421573558,2.903020453357468,0.7108203478426668,0.0237101748215539,6.673969212601902,4.122881345641494,3.8866252972354847,1.5058232783040169,2.0596636869974483,4.479671172526267,0.365116315591543,4.903087135299313,0.2196287796349977,17.402032863465,-1.5430575461489326,-3.448304242516467,-0.355427931037733,-4.463988070881277,-0.0325617066852486,-17.121069711404505,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0280,9.515755186984183,10.30595938843248,11.06894905207198,11.801207562379338,12.50030382762351,13.16467870541621,13.793527799271496,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_22,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0748757050598924,0.5987388095459931,1.8503003301391057,3.369564916649584,4.549170316291362,5.240186664702319,5.583029592429415,5.739260865177135,5.797253610569828,2.8727632863069017,0.4228886828565092,0.0025158886596638,7.542688036065776,3.6607514159537007,4.638577239678483,1.2414990510847794,2.962811279167532,6.0851375199014806,0.3510360780267583,2.542847891120853,0.146764537229155,13.562382174954664,1.4701080065629135,2.8003663479648435,0.0524954235058347,-1.3381806176511528,0.0422753081468318,-1.859968630509467,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0280,8.468042615454886,9.268894991581895,10.05790805491055,10.830150182594938,11.580410273466663,12.304000969865085,12.997188056047571,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_23,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581474686593506,0.7755417222800973,1.7981998205413476,3.2224917393341053,4.592396701681288,5.487313683842388,5.951886689032068,6.167544054114225,6.248185010746386,2.7146409041099164,0.603598099192993,0.0097390416295433,6.723386370314915,3.539487855715896,4.004434971218823,1.1185560628425455,1.4333087631619268,2.93641212384396,0.0755499869370537,2.037708658658357,0.4961661741000817,8.67754355455071,0.6778088937913893,1.2738953753008857,-0.0755499869370537,0.0734089982949592,0.4432811832441441,-8.67754355455071,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0280,6.597678527735131,7.409797200409816,8.212980091679784,9.001714778138451,9.771530784772414,10.518631876652176,11.23983467748021,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_24,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1554487753715069,0.7704444566720314,1.7849357596334,3.158717960542796,4.47075683036142,5.329982085578865,5.777184240340126,5.985075915982618,6.062862982619299,2.671536222018558,0.5983254301715467,0.009568552370799,6.518432424923743,3.46282426424244,3.777859022050861,1.0917577133097034,1.44854487038612,2.928658506905715,0.0496516834672212,1.6468629466260305,0.5198687480819215,7.726087678778291,1.0763373214061929,2.109596440582838,-0.0247898263287641,0.6791225176929145,0.4938140459765107,-7.005094356153239,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0280,6.910672446326481,7.721807746599769,8.523988741283516,9.311060818950423,10.078060202161788,10.820941434614022,11.536492075996456,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_25,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0752460190219268,0.5943523965571234,1.8302078551940104,3.365273859454188,4.601480980103093,5.345717917874539,5.720305262572575,5.892131661543008,5.956089230561103,2.857059658431483,0.420875324147867,0.0025433773389047,7.775394736542412,3.636393784131328,4.8462862756211225,1.2196501688101191,3.336681355765525,6.842976668376263,0.3595975841783329,1.8624744896312933,0.1171962316326227,12.645105219612152,2.430129143742076,4.848061385103637,0.1782871417736429,-0.566425859547308,0.0381669139088276,2.905642101050055,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0280,8.478827083072247,9.285447304334118,10.080895982919754,10.859166425021112,11.614535154309545,12.34214498792237,13.038280960601776,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
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RSM0280_34,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0748686887549617,0.5987145770040196,1.8502752447462736,3.369555616371363,4.549176873555088,5.240202167185473,5.583049180102803,5.739282212463892,5.797275593212111,2.8727478600915504,0.4228676241991889,0.0025154298279654,7.542770935761574,3.660694566803108,4.638641595590033,1.2414880505057155,2.962869596535595,6.085309977346979,0.3510763073909389,2.543483208214536,0.146755645553041,13.56413220890979,1.4696045522815624,2.7993025976836803,0.0524232985401324,-1.339005906845948,0.0422270924552588,-1.862643636908722,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0280,8.468018336564265,9.26888992116159,10.057921001494432,10.830179283182924,11.580453338617852,12.304055729890996,12.997252322288062,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
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RSM0280_45,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0756749714294651,0.3520225999047304,1.0285492085520265,2.282299573954976,3.624990188512856,4.541679972621968,5.026586532216011,5.253495891758411,5.338621404905056,1.8119965491810817,0.2687050879682102,0.0059051323289241,5.518645834920744,1.252962327673804,3.598694750389808,0.1084990318021573,6.000388394346704,12.854674476616015,0.6392942170372372,5.38064462520202,0.929101516097287,25.847710726600383,0.7596145573237094,1.8234886969698785,0.0774679711430855,-5.38064462520202,-0.929101516097287,6.183792120305076,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0280,15.260015703551046,15.98252915990506,16.618392873902028,17.183746816809993,17.69082451293959,18.148942184463458,18.56525653259229,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_46,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0699927188531108,0.3820523807407932,1.2499208831074426,2.785701078805582,4.295593421888852,5.273760164195285,5.778592039415141,6.012294013071347,6.099582183260805,2.226660160889692,0.2814008246247763,0.004853049694432,7.07547860539905,2.0998367010282784,4.496371887088637,0.3778586504372674,4.795598232391635,10.454707695827889,0.4723551347882113,4.422066105638863,0.7504482174026829,19.35200053052092,0.5369012716184761,1.522511964342366,0.0466915158440965,-4.422066105638863,-0.7504482174026829,4.4537738674769045,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0280,13.35245668636754,14.272021326672036,15.092018435709408,15.825804555606098,16.48477206870889,17.078519637067213,17.615113604267684,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_47,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.065025464692341,0.3962736537261978,1.338437389004702,2.8920688421748246,4.399035138409681,5.386743606203672,5.901541791666805,6.141097372400028,6.230776295831263,2.3338334115837376,0.2851777435755248,0.0040985894708935,6.680413415758664,2.391107818628491,4.183296524591694,0.5694395732864437,7.354010740412261,16.085688602303094,0.7336569607481906,4.51261077376151,0.933624832603876,28.3154844408844,3.4945241778691907,7.998302885646403,0.3551749958313439,-4.51261077376151,-0.933624832603876,15.06861566879475,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0280,14.492521786269853,15.287765590021252,16.006398952714026,16.656801306584104,17.24631018001113,17.78134940166495,18.267560678815496,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_48,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0546169525165817,0.3921952051895661,1.4466467356441208,3.179155178635792,4.785510158364265,5.804058594240435,6.326177001087778,6.567329799647915,6.657327743283077,2.5651917053818,0.273982115381523,0.0028204613337722,7.665843973528126,3.019813639462949,4.504244901892563,0.6598449880444758,7.777163823683506,17.3509482306155,0.7142656181470945,3.161319112816029,0.8386629971237427,26.697306630301927,5.672505666039872,13.01198099587202,0.5769805888584347,-3.161319112816029,-0.8386629971237427,21.89233060519884,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0280,13.328144185406211,14.326850722699064,15.218153169516562,16.01467625539266,16.727381395317458,17.3658705112911,17.938606909837375,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_49,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0756447002408766,0.3519202354591625,1.02808403749772,2.281290816081122,3.623694676135799,4.540294956719113,5.0251784018857135,5.252081721524226,5.337205690926493,1.81115284078333,0.2686295744519576,0.0059005177181938,5.516913056222686,1.251887673926922,3.5978114613702643,0.1080847268540391,6.000379583029434,12.854598380412105,0.6391506266667398,5.375361176751841,0.929009698418023,25.84518747517192,0.7643496409738412,1.8337014062558912,0.078127300784699,-5.375361176751841,-0.929009698418023,6.209371069300496,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0280,15.245712536925716,15.969661273423,16.606714215117538,17.173073113403866,17.68101470443221,18.13988575081251,18.55686487669529,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_50,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0699761135274456,0.3819659931700316,1.249498415359056,2.7847943208842905,4.294364465390452,5.272373907639439,5.777136295528533,6.01080841935139,6.098085792311875,2.225906930702928,0.2813427378699427,0.0048509281028871,7.072861275102231,2.098632999464695,4.494784718117363,0.3774232518910259,4.7978085816451,10.458997202577503,0.4725726310668212,4.417580174291424,0.7505261767306883,19.361558143665505,0.5433884887207079,1.5359697931807537,0.0475285509192094,-4.417580174291424,-0.7505261767306883,4.485015338499092,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0280,13.350787679257063,14.270504668531872,15.09068662806568,15.824668010751925,16.483827031417878,17.077753947762744,17.61451069271183,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_51,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650330650660614,0.3962814837677272,1.3384773628125148,2.8922197396110314,4.39923103029264,5.386922935782279,5.901698499372704,6.141240431811466,6.230913748687217,2.333948198558604,0.2851875991394648,0.0040995231257791,6.679660481728508,2.391107823738084,4.182732758423692,0.5696472726761143,7.356902070664138,16.091933677905967,0.7339501046589038,4.507304342326408,0.9334723382889598,28.32396104478667,3.503613899859274,8.017663986293595,0.3561997160422165,-4.507304342326408,-0.9334723382889598,15.10269744320261,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0280,14.492053942789898,15.288665193683276,16.008143025326433,16.659050827109144,17.24884405659211,17.784023019522145,18.27027955841834,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_52,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0546283552212692,0.3922123430092878,1.4465616318802466,3.178902702478675,4.785169918373476,5.803690892939891,6.3258016827374535,6.566952195007684,6.656949467099401,2.5649901793157275,0.2740025785106863,0.0028217033301342,7.665076330513198,3.0193220814775,4.5039930370196455,0.6598906773421058,7.776321000626439,17.348757207332756,0.7141382305824678,3.1589448508243256,0.83865471104351,26.695434893036964,5.673219098008761,13.013222393760293,0.5771720187252642,-3.1589448508243256,-0.83865471104351,21.90161747803484,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0280,13.366642424555335,14.361100405108568,15.248721739350332,16.04205886197605,16.75200298555428,17.38809318057637,17.958738495946392,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_53,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.075651932912259,0.3519756549462279,1.02848256752872,2.2821851876188544,3.624823800267784,4.541481384481228,5.026372140214058,5.253274393678887,5.338397287883819,1.8119009617978008,0.2686619775551802,0.0059015654100899,5.518179739139324,1.252836060227346,3.598434442586808,0.1084859439114691,6.00033442505621,12.854543550085792,0.6392919320856251,5.3806046998260575,0.9290935220247356,25.847597843377034,0.7595943265979491,1.8234256028271525,0.0774662156537691,-5.3806046998260575,-0.9290935220247356,6.183697768262075,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0280,15.258850803817657,15.981538558018848,16.61754936837955,17.183027876253135,17.690211368838085,18.14841909810359,18.56481022953718,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_54,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.070002865337199,0.3820626777440168,1.2499148761195549,2.785675016603223,4.295558719619617,5.2737237840164,5.778555608959612,6.012257706954593,6.0995459448204095,2.226639898675095,0.2814129538314964,0.0048546174417231,7.075412891521526,2.099763672611572,4.4963426875619374,0.3778053870084931,4.796212316764636,10.45605181805292,0.4724126900240279,4.4226021702026745,0.750545577909178,19.35441842866612,0.5369929110665559,1.5227648634081357,0.0467012683202452,-4.4226021702026745,-0.750545577909178,4.454518669033724,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0280,13.35215687123765,14.271759905727537,15.09178929512989,15.82560281881192,16.484593776933032,17.07836152218796,17.614972931606125,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0280_55,RSM0280.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650264181613163,0.3962905348898651,1.338481752278318,2.8921246299714536,4.399091289201548,5.386798050426108,5.9015950447539245,6.141150024036167,6.230828715997173,2.3338872101720454,0.2851889919201716,0.0040985930019972,6.680459612374894,2.391226706903193,4.183345025389054,0.5695140870242413,7.355061496689431,16.088058990101548,0.7337626014852163,4.513012653828149,0.9337060543769928,28.318933248605152,3.495430017896977,8.000358967799347,0.3552561053576603,-4.513012653828149,-0.9337060543769928,15.071205884140692,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0280,14.492206492726313,15.287470476011292,16.006121427089628,16.656539288843963,17.246062046933726,17.781113896271968,18.26733681742139,"[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Cu], topology dia,"
RSM0304_0,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0043244023081968,0.2143954026294148,1.3495003990523986,3.5412914318234376,5.778622309799981,7.270279051078092,8.052470871337928,8.417306967730147,8.554009022234755,2.733362909148023,0.1170110290249494,4.22403404009587e-06,10.530377343710752,3.8970935512352898,5.969047846881912,0.5092463687648203,19.15304525888597,42.919453092106416,2.0265420221174097,7.059290918053312,1.5884613294573704,62.471968925463074,-19.15304525888597,-42.919453092106416,-2.0265420221174097,6.634618564174755,1.5884613294573704,-62.471968925463074,-18.0,-39.9347918,-2.0,8.0,2.1,-55.0,-26.0,-57.925255,-3.0,-8.0,0.3200000000000003,-95.0,RSM0304,19.924448756278466,20.338721978023685,20.664393696391286,20.924557710405264,21.13538766233584,21.30843653596395,21.45210950236721,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_1,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0043085084848314,0.2148017378144478,1.3514941308708155,3.5431006652814188,5.776479395079184,7.2637871232754865,8.043241448248999,8.406703815320798,8.542876029432774,2.7357008489025865,0.1172033594288389,4.086528347291943e-06,10.5270477090042,3.8942448848251794,5.971446675235464,0.5099859919171229,19.08421746547176,42.773333090150544,2.015248831273115,7.037773184713162,1.597984554652838,62.01442697763015,-19.08421746547176,-42.773333090150544,-2.015248831273115,6.793791884343326,1.597984554652838,-62.01442697763015,-18.0,-39.9347918,-2.0,8.0,2.1,-55.0,-26.0,-57.925255,-3.0,-8.0,0.3200000000000003,-95.0,RSM0304,20.05205389378381,20.44682662628706,20.756957809929222,21.004589921756526,21.20519736926173,21.36981655325431,21.50646763134561,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_2,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2036830551986938,0.6151882588200237,1.5572746147253702,3.227003487048312,4.964887323803824,6.137230687818734,6.754481866417718,7.042781725353638,7.150858452646756,2.608425921642755,0.4961229824347347,0.0408886125951302,11.63527024408563,3.393690416479778,6.93679982446903,0.3791359681563668,3.5331160371200654,7.620588072079289,0.5091420323288031,7.6062522957504894,0.62226541483039,17.77772675411202,3.5331160371200654,7.620588072079289,0.5091420323288031,7.6062522957504894,0.62226541483039,17.77772675411202,8.0,17.990463199999997,1.0,16.0,1.7799999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0304,5.782723611640928,6.444660482159198,7.066892467383741,7.653262568904191,8.206407103794977,8.728036195735328,9.219322318951754,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_3,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411334673347673,0.494489248800786,1.3395541062447431,2.89112472649475,4.5684294873998645,5.728234888877506,6.346485889606178,6.6368769751185805,6.745992142433056,2.3087675206033293,0.3905563387028804,0.0201518970538404,8.771207331502099,2.088932063134039,5.886818298196952,0.3252054682112875,2.9119729150038403,6.326862566937464,0.4962668746626236,6.8821079123048285,0.3685501041022581,20.148471697314747,2.9119729150038403,6.326862566937464,0.4962668746626236,6.8821079123048285,0.3685501041022581,20.148471697314747,8.0,17.990463199999997,1.0,16.0,1.7799999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0304,3.352664507472896,3.952166651659106,4.580067989204929,5.220672543963343,5.860958772180014,6.490957804234421,7.1036104102970326,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_4,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402065437328117,0.4761702388737129,1.26302967941813,2.6900873860413004,4.198993996013344,5.233206271795,5.783097390974084,6.041180603971489,6.1381315416014655,2.15921695143309,0.3795362474078018,0.0200181866981116,8.4530735088094,1.925717246410551,5.581720040206246,0.1537189904882347,1.128128849611687,2.4825061962706965,0.2256257699223373,2.933135008990386,0.078969019472818,10.15315964650518,1.128128849611687,2.4825061962706965,0.2256257699223373,2.933135008990386,0.078969019472818,10.15315964650518,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0304,3.540878503714886,4.210123454933563,4.899908070508602,5.592358143412781,6.273858457901878,6.934873486281076,7.569352825716501,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_5,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404493291100012,0.4812144577064376,1.316829474487544,2.9445819287170583,4.753026160962998,6.016490534233855,6.692617282451739,7.01067583577625,7.130257858896653,2.325795286687904,0.3821383914230948,0.0200729316251576,9.727114452614034,2.3232578920238782,6.30925364527408,0.1904825819015873,2.209032729336621,4.804720043293751,0.3871306966384999,5.306078302444621,0.2571495083576088,16.053985118011894,2.209032729336621,4.804720043293751,0.3871306966384999,5.306078302444621,0.2571495083576088,16.053985118011894,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0304,3.5097562397200903,4.176662075581051,4.86546031704142,5.558002585187782,6.240366205408532,6.902737640226009,7.538841280105945,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_6,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425232745500582,0.5240275830022193,1.6268091524397883,3.794007010125004,6.096274568342047,7.6535889634908,8.47370963524892,8.85674681567216,9.00033286513914,2.9809221310902867,0.4053549933729161,0.020475696665524,13.232257576390763,3.9955672291117352,8.472477526514973,0.8790948470937725,4.74592221825859,10.313891040519705,0.7639636851389311,10.374091752848702,0.620722378085962,29.81390681580696,4.74592221825859,10.313891040519705,0.7639636851389311,10.374091752848702,0.6133541503294465,29.81390681580696,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0304,3.2646306138799788,3.8470350743823727,4.4600272462677015,5.088355974366394,5.71908079171971,6.342079368296568,6.950007872448763,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_7,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141006832481348,0.4925438217186361,1.3618616863966937,2.9944479092217096,4.746715187343482,5.950563210614257,6.590461435312815,6.890669639641023,7.003421770733605,2.382204416093092,0.3890887061215515,0.0201254783546488,8.975427200305653,2.4073487388817725,5.780557699114982,0.2982932783189378,2.752075315227724,6.061341989553866,0.4399498104335709,6.14515903201865,0.3955783229226794,16.642981278531895,2.752075315227724,6.061341989553866,0.4399498104335709,6.14515903201865,0.3936504788590201,16.642981278531895,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0304,3.3878026470742344,3.993518967969062,4.624585444438072,5.266053212138168,5.905588503034342,6.53379075208147,7.144037201830202,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_8,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408026544760801,0.4843455374827586,1.37339715199389,3.1035121204727028,4.94142206652285,6.183871491393866,6.837826512883423,7.1431667337837865,7.2576121803364675,2.454357210836654,0.3834112382706332,0.0201764080892149,10.512723745796505,2.666297750311035,6.840532143068606,0.3074439425555632,0.9784574598275017,2.1531465201383284,0.1956914919655002,2.543989395551504,0.068492022187925,8.806117138447515,0.9784574598275017,2.1531465201383284,0.1956914919655002,2.543989395551504,0.068492022187925,8.806117138447515,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0304,3.503433732781609,4.171799986850727,4.860562706538857,5.552094752782639,6.232910259746101,6.893518835466868,7.52786226062833,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_9,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406517349781577,0.4847496261522362,1.3533926181210014,2.990600069473018,4.721979936511468,5.898708365208998,6.520851722863764,6.812032358033805,6.921285835979434,2.379261963342178,0.383667910511121,0.0201324631302482,9.751954213631937,2.508529630677171,6.324896639577672,0.2770126655930735,1.1937762549831186,2.625749577555975,0.2375747116229641,3.094373947966832,0.0857778491744298,10.661348538691902,1.1937762549831186,2.625749577555975,0.2375747116229641,3.094373947966832,0.0857778491744298,10.661348538691902,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0304,3.528093288674129,4.199641128921336,4.8912233524552,5.585067194262774,6.2676353868230334,6.929448100240961,7.564493496146227,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_10,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404182763439626,0.4846073925575107,1.3223511049556322,2.962862427788956,4.7820245550665605,6.051218394322249,6.730265819558362,7.049711519446483,7.169820430973553,2.3392528606655945,0.384797241421644,0.019977844211004,8.96856070733411,2.340023836733743,5.764290705093755,0.2295695222484088,3.2975191032109312,7.244019871895797,0.5208646555651884,7.256494635506375,0.4761097019835016,19.58628275972383,3.2975191032109312,7.244019871895797,0.5208646555651884,7.256494635506375,0.4729410663686282,19.58628275972383,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0304,3.3289723811082146,3.932022655895315,4.561430990960517,5.2021124649159605,5.841600524182837,6.470371582309841,7.0816925019873,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_11,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1358145341507433,0.5115463189381506,1.5617295915455884,3.4861106895610385,5.410316098726,6.668153017993981,7.319907194369624,7.622126168657382,7.73508062330129,2.780803934028756,0.3949483003335284,0.0185751672216832,13.862180641666246,3.56638807985462,8.32750986080285,0.2238553597590743,2.609253341108552,5.651828427192573,0.4345874689408757,6.085953092635556,0.3462662325291635,17.374856120318533,2.609253341108552,5.651828427192573,0.4345874689408757,6.085953092635556,0.3462662325291635,17.374856120318533,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0304,1.9175626328490336,2.400488703753102,2.9449320805366423,3.5338936274196566,4.150822773532137,4.781257662991745,5.413520339371605,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_12,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2034083696500183,0.6223249872844768,1.5832917240020552,3.275945949166009,5.030740093451072,6.211075010531113,6.831511875644887,7.121070366793813,7.229582277503501,2.6497676651109368,0.500496618159355,0.0405994351337872,11.790470210854258,3.471152909524029,7.03082556183331,0.420988783509866,3.433362761380251,7.400326516458153,0.4955086324447052,7.397431820937894,0.6027510957686452,17.351070346827868,3.433362761380251,7.400326516458153,0.4955086324447052,7.397431820937894,0.6027510957686452,17.351070346827868,8.0,17.990463199999997,1.0,16.0,1.7799999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0304,5.617871166371715,6.284114925736668,6.911544825994537,7.503518345564366,8.062421071105257,8.589832655758011,9.086853256021238,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_13,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411572746150158,0.4934726891786478,1.356676420103056,2.9734291444748355,4.719563997066015,5.92177713464387,6.560905261246203,6.860708120370088,6.973296578168277,2.365736205919452,0.3897086266255629,0.0201712965901162,9.222581899385656,2.221532101826024,6.172547731640639,0.3596921227223339,2.97570919767921,6.461667760065908,0.5044903099847723,7.006711054121182,0.3807808630011804,20.41171385208884,2.97570919767921,6.461667760065908,0.5044903099847723,7.006711054121182,0.3807058820726287,20.41171385208884,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0304,3.3873640427776057,3.985522140714519,4.611018223448408,5.248553988613451,5.885446903945137,6.511984755116879,7.121284863157324,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_14,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403239995378138,0.4757517523836587,1.2498002983513472,2.6475671214424903,4.133399738883217,5.155893726632462,5.70058897520662,5.956443769107145,6.052589654987881,2.126879779545962,0.3795377358067515,0.0200509564223962,8.314167764220924,1.841042984932836,5.504221134149968,0.1336276157985107,1.21117126193089,2.6652453427845435,0.242234252386178,3.149045281020314,0.0847819883351621,10.900541357378009,1.21117126193089,2.6652453427845435,0.242234252386178,3.149045281020314,0.0847819883351621,10.900541357378009,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0304,3.543909763486272,4.212582959773061,4.901785592636873,5.593685340251722,6.274691107027258,6.9352780018740265,7.5693972714159266,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_15,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404387969875556,0.481553882733705,1.33173882341273,2.9996165142678537,4.841457001446911,6.121720088886239,6.805099030546078,7.126205738405463,7.246877548035015,2.3664002101735213,0.382178144321305,0.020069704820859,9.909809019264276,2.4116198020380297,6.431407314172113,0.2190028031557439,2.1752154298478112,4.732520260768675,0.3825175005593473,5.23535543432259,0.2507505527334996,15.900147889915257,2.1752154298478112,4.732520260768675,0.3825175005593473,5.23535543432259,0.2507505527334996,15.900147889915257,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0304,3.489536802382457,4.15817812476888,4.848932540017258,5.5434893664373455,6.227806166527117,6.8919901575598885,7.529719394559643,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_16,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426522621735609,0.5294050033958702,1.6290861894490285,3.7627054573159233,6.037529321195841,7.583031729701998,8.398893071173699,8.780367884714467,8.923435535159973,2.962083651401856,0.4087535052141849,0.0204770361300762,13.017792341669445,3.920070096774185,8.362532248225717,0.870345207019586,4.562828056671052,9.89908539155485,0.747713507890255,10.439571743924832,0.6202518967179922,29.480786313262072,4.562828056671052,9.89908539155485,0.747713507890255,10.439571743924832,0.6186524395619044,29.480786313262072,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0304,3.143051778881786,3.720702785717871,4.332620351478376,4.962801577691667,5.59751032320016,6.225912971056341,6.840088781249816,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_17,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406639086524314,0.4877436220899312,1.330333350292673,2.9470742830769345,4.71114140099017,5.929524406015087,6.578066289753795,6.882452543249032,6.996788363672905,2.3361286788762103,0.3866193682238419,0.0200373023776019,8.957848484063083,2.296287005919336,5.823604549544921,0.2631993412937622,2.992268409842721,6.572277254668447,0.4772864280131094,6.661118794203149,0.4286219786542041,18.09647425609669,2.992268409842721,6.572277254668447,0.4772864280131094,6.661118794203149,0.4263447818580982,18.09647425609669,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0304,3.390137931238306,3.993491922923263,4.622353793959873,5.26183874641992,5.899656228772945,6.526429214111689,7.135541932532891,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_18,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408870121920919,0.4884930789968305,1.4010616263871123,3.147541622323204,4.981373859387321,6.217165754866534,6.867292291316804,7.170842341575519,7.2846207695979235,2.4958924717450834,0.3854189110890325,0.0201938840392518,10.563846768568714,2.783502022091194,6.860660587378328,0.3680085276526839,0.5760030635594513,1.2675246935218778,0.1152006127118902,1.4976079652545735,0.0403202144491615,5.184027572035062,0.5760030635594513,1.2675246935218778,0.1152006127118902,1.4976079652545735,0.0403202144491615,5.184027572035062,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0304,3.51005590058258,4.180395040108082,4.870953226877035,5.564011663980001,6.246046958494491,6.907567363291001,7.542534892050712,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_19,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405798986422961,0.4800038432970306,1.3241622678667229,2.944731519861011,4.682084899865284,5.868875907963755,6.4973158002692735,6.791588251037751,6.902020131589334,2.335925517933287,0.3813495521388561,0.0201201095138353,9.679413144594864,2.381581391601049,6.315992804109758,0.236352501777033,1.3730141763829726,3.0134188916467344,0.2668723571811652,3.5079930338322933,0.110605638775738,11.815994120766696,1.3730141763829726,3.0134188916467344,0.2668723571811652,3.5079930338322933,0.110605638775738,11.815994120766696,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0304,3.523170621246988,4.193563271740113,4.884170798719781,5.577242317384849,6.25924116960698,6.92067556019148,7.555515222231626,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_20,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406642257905989,0.4885133155830513,1.3411064972550808,2.977829446811962,4.770727185309083,6.015157026269572,6.679557392131745,6.991842383752211,7.109218431600493,2.3590272176467346,0.3868413122874373,0.0200412798353717,8.897977069718248,2.379130242188205,5.669850184210275,0.2399530668169209,3.452179912611492,7.579056554597965,0.5378855359739001,7.59358032210656,0.5200862233682888,19.93881957008704,3.452179912611492,7.579056554597965,0.5378855359739001,7.59358032210656,0.5176224690323478,19.93881957008704,26.0,57.925255,3.0,16.0,1.7799999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0304,3.3333767079975734,3.937704368185936,4.568269426345025,5.209966497699261,5.850314955580511,6.479783740250374,7.091638788052843,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_21,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1356403651617646,0.5101577335196799,1.55960087437677,3.4963738271997014,5.434991733945419,6.701488286320961,7.35746308749668,7.661582669380386,7.775238829381438,2.785797401227433,0.3941005511040286,0.0185332404070614,13.913434837539349,3.5296553097936174,8.422092016889971,0.2451468886376157,2.6642244406100155,5.77106103098625,0.4438996885148211,6.215421948728583,0.353267960106167,17.7518559929874,2.6642244406100155,5.77106103098625,0.4438996885148211,6.215421948728583,0.353267960106167,17.7518559929874,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0304,1.936380953637561,2.422113509112511,2.9691370207686347,3.560360742532465,4.179196088500383,4.811187289819703,5.444692335050047,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_22,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2283772111208988,0.9393000807257716,2.163864918698022,3.959179988151206,5.821989976602907,7.106130619372172,7.791045427191673,8.112897017115667,8.233859599256144,3.3034174559892926,0.7413192518411494,0.0242596867278675,11.130937001806968,5.595371437139944,6.521529150233016,1.728313481541356,2.092512072311589,4.549766723868381,0.3648095619054807,5.010988567555435,0.2592308354311688,17.75875159966756,-1.5555835467432184,-3.4780573868339144,-0.3648095619054807,-4.474060041987064,0.0038641420973326,-17.75875159966756,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.292365565666548,9.994787926706213,10.69045563794175,11.373092106362565,12.037142914431518,12.67810863539024,13.292644303210333,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_23,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171558310737153,0.913701261194234,2.1962357477240766,4.090923174015214,5.984743281026422,7.259500762614224,7.932080471612621,8.246669440461762,8.364679655358403,3.4070144476600035,0.7161229298870557,0.0231665433068667,12.117959178773392,5.97250318046,7.01637126547265,1.777373888705521,1.872581141335212,4.120712175727482,0.3745162282670422,4.868710967471549,0.1310806798934646,16.8532302720169,-1.872581141335212,-4.120712175727482,-0.3745162282670422,-4.868710967471549,-0.1310806798934646,-16.8532302720169,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.642062572832934,10.374638621227778,11.08788996076778,11.778035882892434,12.44181022293012,13.076706030654048,13.681038929408851,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_24,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.103694211755423,0.7317640655767351,2.290426145019668,4.699368430956142,7.005581451472428,8.509472808628837,9.290943155684968,9.654024325143318,9.789851916928162,3.8401754659930334,0.5275443928573742,0.0038101270141987,16.11449338610688,7.210341373049036,9.518392012881304,1.8905292515211745,0.8713372037466602,1.9174228263791209,0.174267440749332,2.2654767297413163,0.0609936042622661,7.842034833719941,-0.8713372037466602,-1.9174228263791209,-0.174267440749332,-2.2654767297413163,-0.0609936042622661,-7.842034833719941,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,7.353690213040027,8.13374954043964,8.907720963516073,9.669941936867398,10.415190645258312,11.138845869212528,11.83706786180229,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_25,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2184740870216533,0.9201837252568624,2.2359025473665373,4.253458118669802,6.327157843571664,7.742217396433864,8.493350418192843,8.84559844776074,8.977876068179166,3.516685269646989,0.7206762900531216,0.0233081546052617,13.13879615726259,6.381360802740911,7.559500564106511,1.8371923350608503,1.782167186183191,3.921751565889793,0.3564334372366381,4.633634684076296,0.1247517030328232,16.03950467564872,-1.782167186183191,-3.921751565889793,-0.3564334372366381,-4.633634684076296,-0.1247517030328232,-16.03950467564872,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.607875105545896,10.337437320872,11.046896234188267,11.733112230620945,12.39321757219544,13.024929984052282,13.626669547162622,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_26,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2303655412007887,0.9448707746126418,2.217466921350882,4.2477428988018655,6.439142886761242,7.962211566000729,8.775380514826695,9.157473006732182,9.301059330364849,3.490422041281225,0.7456599724724821,0.0246561475248425,13.08938187115472,6.214068419264032,7.740890774932322,1.8084675806704689,1.9779274850965125,4.296450076469662,0.3397922940791868,4.696265837730007,0.2555814045019123,16.689407869974943,-1.4199954556953556,-3.180856046735765,-0.3397922940791868,-4.1383338083288495,0.0177267986464818,-16.689407869974943,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.238746462288754,9.939180993856452,10.632163017330988,11.31197373379843,11.973403998159371,12.612149742541565,13.224958149941424,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_27,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2294093186215518,0.9428490836704776,2.1842481538097926,4.018476761016466,5.920008846072125,7.23152929933539,7.931620581075587,8.26076565469723,8.38449733791298,3.3486689655818176,0.7440741412808823,0.0243321307650526,11.362403753111998,5.675365944412212,6.621711735910621,1.7471352159129545,2.028200969178974,4.404906551803093,0.3465314565078168,4.800452621241507,0.2654992021170811,17.08050768585302,-1.437113595899194,-3.2206983450088,-0.3465314565078168,-4.2093652479617285,0.0229271825616096,-17.08050768585302,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.203946684234966,9.92043611486678,10.625670350618597,11.314622682741502,11.982722114626222,12.626215108308973,13.24230291408784,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_28,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2185482527895196,0.9178210756974338,2.2148970432715345,4.167026187041107,6.153841664209311,7.504387738084739,8.220078639371298,8.555458158155062,8.681362664346024,3.4574706446461585,0.7193415404453566,0.0233942817250753,12.6618870868936,6.030382107370778,7.46098086323224,1.7951368806859018,1.7945751193958333,3.948912778391464,0.3587751183829839,4.664776066459704,0.1259140598996919,16.148377964638843,-1.7931760644340058,-3.946120264687656,-0.3587751183829839,-4.663377011497876,-0.1252285229683965,-16.148377964638843,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.585937211587714,10.322960636346284,11.03856195844367,11.72976387122216,12.393869759850183,13.028757924257452,13.632990871549351,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_29,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1035069191789025,0.7310155757088079,2.2690227041308866,4.612627099532875,6.865465448204012,8.346013293689165,9.119020111805469,9.4789943470088,9.613791347328524,3.7773490203051217,0.5271363196725045,0.0037941980065947,15.600189431139835,6.847195862949752,9.343629462509645,1.8481175561967087,0.8341323957942072,1.8355517118297344,0.1668264791588414,2.168744229064939,0.0583892677055944,7.507191562147865,-0.8341323957942072,-1.8355517118297344,-0.1668264791588414,-2.168744229064939,-0.0583892677055944,-7.507191562147865,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,7.419603431130443,8.195333110346594,8.965305163483805,9.723892552527628,10.465859217485276,11.186547882885057,11.882076941820074,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_30,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179391559608118,0.9150354729921942,2.2021643913698927,4.142436375042957,6.124253712219924,7.473814246525608,8.189505006407657,8.524984098366996,8.650940810756028,3.4362186960916525,0.7174305987596702,0.0233125630148974,12.505847304091583,5.952732294692832,7.335202286466422,1.7696806823398192,1.8567195920044968,4.08580801162468,0.3713439184008995,4.827470939211693,0.1299703714403146,16.710476328040475,-1.8567195920044968,-4.08580801162468,-0.3713439184008995,-4.827470939211693,-0.1299703714403146,-16.710476328040475,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.612540880944072,10.349068297370623,11.065008204201824,11.7569642983024,12.421962914789296,13.05770843983072,13.66266261790844,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_31,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2280510940904181,0.9395639156175792,2.179432494927498,4.029291380937093,5.957345013800656,7.288529882789067,7.9992484787688225,8.333405856078107,8.459023776780523,3.3517940158508144,0.7412576001588597,0.0241107080943932,11.35198805512528,5.698824117802504,6.576921832873087,1.7400573735975016,1.9990796317764925,4.335146574161581,0.3373434934964517,4.697827579748107,0.2700967121535059,16.7422680288115,-1.3743553031880245,-3.088272418844457,-0.3373434934964517,-4.073103251159639,0.0339562667059899,-16.7422680288115,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.23769824019355,9.954555193156777,10.660647072964618,11.350660505323622,12.0198206939936,12.664240669093898,13.281044640904357,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_32,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1565214206823452,0.8186544882351429,2.226373130268299,4.379875255393598,6.467797731193005,7.835319957243233,8.546549011990628,8.877032791066,9.000665401344483,3.607722652127664,0.6196230364391109,0.0101398332675272,14.188762105011524,6.806342197115436,7.759999951340456,1.7275130722087686,2.468249054644029,5.206263231428991,0.2751774757758616,4.669668860850922,0.5824130622368525,17.844794788737378,-0.2835257031145863,-0.8491602153062466,-0.2751774757758616,-2.484945509321479,0.3897888291937496,-17.844794788737378,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,6.623562284786602,7.3874751190811905,8.147358160576447,8.897744033776075,9.633927975575562,10.35178833913936,11.047795212199087,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_33,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2075595220686396,1.0576180114675584,2.805869096754149,5.020093579301808,6.859969774632612,7.97790884787153,8.541453532865766,8.799977727423338,8.89619921392523,4.276029890623154,0.7962230709978854,0.0205047669274359,16.1289930942049,10.013803758426237,7.805322142195725,2.479100600291382,2.160575892592103,4.6593755862669095,0.3398910339141703,4.8797041639054655,0.3241605836144163,17.60070014124392,-1.2383344465496005,-2.820103358352045,-0.3398910339141703,-3.9574627178629633,0.0862368598744973,-17.60070014124392,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,7.174852074190005,8.086717988091074,9.002109007625979,9.901877261587636,10.771930832308955,11.60275586524098,12.3886056077382,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_34,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2285027267397065,0.9394398403183064,2.164797468355636,3.977788209355753,5.866943763887096,7.169058942149105,7.863161890911827,8.189221254167482,8.31174666796064,3.3138163903637365,0.7415291242916885,0.0242839580675483,11.28056316080647,5.631210299906501,6.617903224130682,1.7295435480113497,2.1282382032986167,4.625436459435254,0.3690729063037407,5.080821453728542,0.2677836163784667,18.0226491425679,-1.56249085973879,-3.496204761689839,-0.3690729063037407,-4.515074110168716,0.0094325819658484,-18.0226491425679,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.271816702979294,9.975478649411947,10.672315996947791,11.356021721301303,12.021035859269665,12.662867419610532,13.278185531414335,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_35,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173505597251715,0.9145960822866094,2.196178943194137,4.072512560252606,5.942389998410135,7.202857501540982,7.86887331941065,8.180642183833005,8.297636304501028,3.3967818546747326,0.7167528329673444,0.0232047951366752,11.973809058217112,5.945155493231852,6.926197380149534,1.7768396328036653,1.8835047907778768,4.144734717905445,0.3766857870006687,4.896991086783228,0.131877194779755,16.951239693902757,-1.8833530792288111,-4.144431901653511,-0.3766857870006687,-4.896839375234161,-0.1318028561207128,-16.951239693902757,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.630923424393274,10.36250600822298,11.075025677170157,11.76467690695967,12.428160162880776,13.062934339518277,13.667283310472907,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_36,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.103812575181509,0.7320469901772569,2.288923462166427,4.690413547052257,6.991530936006319,8.494837603510325,9.276921452860304,9.64049729120341,9.776543555413552,3.834001192320792,0.5278175517354479,0.0038193859848178,16.05521143165996,7.186556876291232,9.493808218084917,1.8888060133644715,0.8792346494333089,1.9348015662797668,0.1758469298866617,2.2860100885266035,0.0615464254603315,7.913111844899781,-0.8792346494333089,-1.9348015662797668,-0.1758469298866617,-2.2860100885266035,-0.0615464254603315,-7.913111844899781,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,7.358656749805703,8.138042583350286,8.911321724338926,9.67285058022053,10.417428061726849,11.140450588984663,11.83809099137806,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_37,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2185490856103588,0.9201613564957808,2.237254232097224,4.274529074855325,6.373210541320106,7.802688029121847,8.560281383420374,8.915265241674655,9.048521852141644,3.529023994324328,0.7207730838346541,0.0233118947447659,13.289925456047136,6.419193681012318,7.653102530305352,1.8398010494555248,1.7567900730300336,3.865907908786387,0.3513580146060067,4.567654189878089,0.1229753051121022,15.811110657270303,-1.7567900730300336,-3.865907908786387,-0.3513580146060067,-4.567654189878089,-0.1229753051121022,-15.811110657270303,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.606737880753752,10.338210009982456,11.048808764101349,11.735633335464268,12.395993479253924,13.027733792765792,13.6293622667031,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_38,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2302597771338773,0.9450767567610694,2.2195626819830854,4.237963332960854,6.409952144732611,7.920572073351476,8.727788495134174,9.107266275351764,9.24990068499642,3.486642514722239,0.7456237518971863,0.0246455412093007,12.985298092598155,6.194915584270381,7.676926438032952,1.8117522116779576,1.9928957650542327,4.331883908614822,0.3461847956182991,4.762374130000626,0.2495308540781463,16.88817473763715,-1.468952191128757,-3.286092535059571,-0.3461847956182991,-4.238430556075151,0.0072014971453371,-16.88817473763715,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.246197789279728,9.94525529855165,10.63654796950967,11.314660703501383,11.974544651107156,12.611964044753757,13.223680657584817,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_39,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290421510402151,0.9418115409447066,2.174192812530152,3.993238508902662,5.890293391704247,7.203415663797344,7.905442720322195,8.235709853653708,8.359895262558775,3.327703523536003,0.7433700036832287,0.0242390537426171,11.292501927756703,5.612144819591986,6.616809516349224,1.732208046666349,2.0249030212088184,4.39997069572957,0.3496417929734541,4.822037364996451,0.2575243040903908,17.12006941310803,-1.4715149085257229,-3.2940787723836342,-0.3496417929734541,-4.268649252313356,0.0127750490089731,-17.12006941310803,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.23389179777734,9.947125094350396,10.6495423608891,11.336028853364391,12.001954044818726,12.643522375757474,13.257903667251314,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_40,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186727565672793,0.9178885055583822,2.215680963627209,4.173269117241251,6.16251578947448,7.511570128662108,8.225459823489581,8.559765904729185,8.685230675671166,3.46174327459358,0.7194900332366361,0.0234166088763684,12.683625903604208,6.0344837296606855,7.48001240558406,1.7958207278088805,1.7583343548307044,3.869306181191417,0.3516668709661409,4.571669322559833,0.1230834048381492,15.82500919347634,-1.7583343548307044,-3.869306181191417,-0.3516668709661409,-4.571669322559833,-0.1230834048381492,-15.82500919347634,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.583264647776469,10.320614353996923,11.036561252658595,11.72808719077287,12.392478838951227,13.02761050206316,13.632046851215394,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_41,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1036114520715207,0.7313047863699496,2.266016948400743,4.597328594929906,6.840019750862588,8.316157491057464,9.0875483872364,9.44691907686961,9.58151339878223,3.766613125098804,0.527413498715166,0.0038020992795543,15.497034462338794,6.799536364025738,9.302440419209676,1.8442928137911696,0.8338705634847442,1.8349755362174809,0.1667741126969488,2.168063465060336,0.058370939443932,7.504835071362699,-0.8338705634847442,-1.8349755362174809,-0.1667741126969488,-2.168063465060336,-0.058370939443932,-7.504835071362699,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,7.425152563816316,8.200144389339352,8.969363449627611,9.727194572307369,10.468421406089274,11.188405979704632,11.883281755599072,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_42,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179162238082079,0.9149524213903472,2.195641121586166,4.113202382219662,6.072023040985954,7.408044460531605,8.11724103559184,8.449827821565517,8.574722585341902,3.4157461913614706,0.7174226146524589,0.0233019911612397,12.359627075759754,5.880373309981391,7.27841639784204,1.7603444953714136,1.859845130411686,4.092672276012707,0.3719556843355056,4.83549060509573,0.1302171767971642,16.73833933876854,-1.8597117129433705,-4.092405974745948,-0.3719556843355056,-4.835357187627415,-0.1301518022376894,-16.73833933876854,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.624127400140848,10.358645881768926,11.072834032739191,11.763269265846814,12.42695404957383,13.061570821412475,13.665560881618775,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_43,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.228451731512354,0.9407941741816328,2.1873157062751654,4.028957290582861,5.922741126688911,7.2226435044366895,7.915229182706442,8.240613955636595,8.362899215643628,3.3581503273284827,0.7421036872591152,0.0241914067330597,11.26464198381252,5.711531449221707,6.490135024324176,1.750497032791592,1.9972805828494813,4.328121608319966,0.3334437453811116,4.664830545898375,0.2771809833067126,16.657525765206408,-1.337156870961634,-3.009481399538992,-0.3334437453811116,-4.004706834010527,0.0437703615399347,-16.657525765206408,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,9.21989483935485,9.936575212071553,10.642861004569369,11.333308931579264,12.003055026299904,12.648150217408446,13.2656752890217,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_44,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.156350466468265,0.8226366754490283,2.257053548763938,4.43844800422962,6.534845639030788,7.902190366496961,8.612167968775932,8.941858778157656,9.06516401990107,3.659079682708728,0.6213192465525101,0.0101199402866282,14.420043741377684,7.04096274403569,7.797964672085107,1.7529043715286683,2.465382528536676,5.205837234250795,0.2803092001665118,4.70785612986877,0.5715154748866109,17.933096646013617,-0.3377094731284426,-0.9625124761973856,-0.2803092001665118,-2.5801830744605376,0.3752990347700528,-17.933096646013617,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,6.6513232225684265,7.412302026781548,8.170787273989431,8.920948523933854,9.657735092696909,10.376721600718886,11.0741306979064,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_45,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2074358073070169,1.0578316775369527,2.805843204934136,5.0252080977057085,6.876407303072007,8.004336546098013,8.573770750719431,8.835182455220933,8.932508028273245,4.27841547477169,0.79637274891507,0.0204629227437278,16.213193996282666,10.025789069993612,7.874616437141841,2.481530813789252,2.161923001359833,4.661446528813912,0.3392938875975287,4.876274102140064,0.3258796963597592,17.595492758749742,-1.2310158746154545,-2.8048919005912607,-0.3392938875975287,-3.945366975395684,0.0883739750414893,-17.595492758749742,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0304,7.175112774580186,8.089185222350375,9.006335235823467,9.907467448327528,10.778550477549585,11.610130438774435,12.39651531338812,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_46,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0998939537961495,0.637875011557673,1.9972206733065592,4.156024595321854,6.287264841072671,7.705910107668088,8.450827046627312,8.798579371862695,8.928931635858516,3.3777353915926627,0.4627080290488002,0.0049893947874246,12.87322936890013,5.394095337036191,7.553494835840397,1.380091564307883,4.349974091366987,9.583046069510452,0.4112435742431347,3.523380858337905,0.6462139836708899,17.238987024255906,1.6447159494064036,3.903508438032122,0.13762866935342,-3.01741325353006,-0.4231171069073975,3.172843237760829,20.0,44.926495,2.0,2.0,0.94,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0304,10.348034657627242,11.13686485775288,11.8951896574802,12.621337928346842,13.313501589083849,13.970241327363558,14.590713527430024,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_47,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0993688601093484,0.6275294027101267,1.974262173270788,4.191313954174412,6.405144366286507,7.875134763664647,8.644593316491921,9.003171844346438,9.13747656262652,3.3856405824637594,0.4562861298174493,0.0049681532784728,13.39306177730376,5.550204988705743,7.89405327880786,1.3293295447733,4.89967071744594,10.850762009197682,0.4881289828193149,4.31945444156546,0.7058546922240826,20.17825632490189,1.6179743540653284,3.913662789095522,0.1099041023053514,-3.782140221300857,-0.4547634661253998,1.3293889175105806,20.0,44.926495,2.0,2.0,0.94,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0304,10.565390233814064,11.342880676838734,12.0903022995282,12.806063527972263,13.488371998705023,14.13577775669092,14.747417945297194,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_48,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1000369131190034,0.6390944915001535,2.001806440103498,4.15190629472725,6.262237716503228,7.663537145593586,8.398689753480324,8.741767263166356,8.870350487740707,3.3786948974382014,0.4634531140458285,0.0050022337102481,12.786821668866684,5.391887325437116,7.489763524429624,1.388766978769395,4.293455937449988,9.460411223336587,0.4022119962654835,3.4469732647317155,0.645040508719694,16.99786420469664,1.650020975211212,3.915606269274113,0.1396784894468018,-2.9224012091933704,-0.4132187401712007,3.245293759024643,20.0,44.926495,2.0,2.0,0.94,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0304,10.41331761281041,11.195446196356452,11.94784201821763,12.668740098202626,13.356252617310272,14.008870873229936,14.625689904322302,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_49,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0992371820862402,0.6264115210652058,1.9697847036889529,4.1899166801567285,6.410555219650266,7.8844740296915665,8.655577718977623,9.014814053079848,9.149346800637629,3.382211437540526,0.4555891828508096,0.0049570558814682,13.434840181540032,5.53533746821148,7.930316716752963,1.319783512829221,5.109971121518357,11.318832207069832,0.5155120809107876,4.48681419781076,0.7136681892221289,20.91356152975162,1.7163514914950933,4.138050628768059,0.1174550618883988,-3.990163012789172,-0.4804066323657824,1.519422476670662,20.0,44.926495,2.0,2.0,0.94,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0304,10.522255047940517,11.301834578623668,12.051272573724724,12.768989371949784,13.45319323441046,14.102429815608865,14.71583048189964,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_50,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0698678771733183,0.3836894192412594,1.431291058464487,3.484994085127385,5.577508552006047,6.955819868387882,7.672892304607492,8.006061181624613,8.130690663438617,2.724905562572092,0.2785159748994544,0.0049579270202407,11.473756680814905,3.4486602918789946,7.108487932765134,0.5441668012564636,6.469613506173567,14.17639120913682,0.7493075161497622,8.794051276247464,1.069843755886288,28.20161814238432,-1.2683295957227103,-2.260136944054809,-0.2250186077034478,-8.573511996036594,-0.950752544572419,-7.884649714375851,19.0,42.933795,2.0,1.0,0.54,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0304,14.890417285347915,15.6474207104203,16.31914454298339,16.919102853880663,17.45802971340193,17.944481021696575,18.385335696292536,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_51,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0699791955331566,0.4276839787317732,1.631888496911933,3.8848995541122857,6.1367556941067365,7.607730159661738,8.370055782319822,8.723634486158051,8.855802892931763,3.0586122757310394,0.3034993619349478,0.0047902262309082,13.31477153322761,4.5005948025752165,7.844251310985081,0.734034216791348,6.42783311042832,14.114685077546651,0.7303799593809781,8.335913793084412,1.058527755517206,27.71303672079444,-0.8412466661825718,-1.3087383740503853,-0.1682429604678733,-8.08962883851316,-0.9255338800487298,-5.955330065056638,19.0,42.933795,2.0,1.0,0.54,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0304,14.81370916376562,15.553645618632348,16.216342732591126,16.81332626837693,17.353520007478263,17.84401590387488,18.29058876551661,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_52,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2346968099409405,0.7783515075243186,1.9384707335243103,3.823080318091661,5.6524736184268205,6.839156589693935,7.45263121803829,7.73687727831362,7.843084278416533,3.14353140405553,0.6227429350358954,0.0420871020217376,13.4131158233455,5.192983195777875,7.637441546147482,0.9933677205801364,6.2933295232850615,13.438046003288552,0.860267377159278,13.175468540559288,1.1875303056882058,31.466647616425306,-6.2933295232850615,-13.438046003288552,-0.860267377159278,-13.175468540559288,-1.1875303056882058,-28.752068784724155,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0304,16.07529548841297,16.753138049929724,17.356234338448274,17.89532156563255,18.37868648531567,18.81304103746709,19.20402677113482,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_53,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0698513996731834,0.38177220068712,1.438381718177276,3.531636746490064,5.66186869204909,7.060073661473369,7.785756303257435,8.122516346119635,8.248422582250116,2.756405034978644,0.2772495368306913,0.0049613350351728,11.87598968612464,3.5362744850802668,7.288099818763568,0.5490500598306727,6.590437623556568,14.439755354503502,0.7689959356859132,9.023655969269884,1.0810693165861682,28.732527828413563,-1.329175723332051,-2.392518194686851,-0.2377460585753433,-8.809267901595781,-0.965299760042152,-8.432934579797353,19.0,42.933795,2.0,1.0,0.54,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0304,14.925463164649642,15.673786513217284,16.339556818856853,16.93542440833123,17.471534821660203,17.95604138477361,18.395546627967924,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_54,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0700421512016771,0.4267650110935916,1.6361475186479886,3.917319879512231,6.189890158712066,7.666582193707873,8.429301798299297,8.782472951782463,8.91439389174166,3.080659705529241,0.3032000850638061,0.0047719322275635,13.564686881203476,4.562429321056108,7.925535583710381,0.7290043523923248,6.447546665493022,14.148115096783048,0.740776288707209,8.569618657396347,1.0620052791805197,27.96447369405664,-1.0438308880770353,-1.759335766240603,-0.1973279575994451,-8.328662025504116,-0.931888697958715,-7.037784613706331,19.0,42.933795,2.0,1.0,0.54,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0304,15.30166265318487,15.977845419530862,16.588985567075923,17.14373215007844,17.648891191074757,18.109982683083835,18.531603984595417,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_55,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2340576446720956,0.7796479156543905,1.951893273218499,3.8462239024895593,5.667008733047599,6.840831795736939,7.445902061305741,7.72590135950413,7.830467943974769,3.1655246333599125,0.6230509808740575,0.0417999120516673,13.455531014389972,5.231452020150716,7.699417781715139,1.0043373455695237,6.315318344834616,13.486225212818065,0.8644630719363972,13.231022920325794,1.1894484035706592,31.57659172417308,-6.315318344834616,-13.486225212818065,-0.8644630719363972,-13.231022920325794,-1.1894484035706592,-28.93582331137473,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0304,15.810885569113692,16.518796558264725,17.147436964034476,17.70831497649698,18.210373320818928,18.660862079596747,19.065857811932744,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_56,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,9.0,18.9984032,2.0,17.0,3.98,57.0,0.0023096430048465,0.110508757363909,0.9146244474267524,2.9416755489758515,5.22009200531238,6.7756668642140685,7.595496927472002,7.978291116016911,8.121754911002652,2.155844780236955,0.0585409815069745,2.933123628693885e-06,9.29536978729869,2.477448867967329,5.559483497903753,0.2233926270320048,8.090028457455016,18.294382877765283,0.8769861603442103,8.363916052828435,1.4582956131429727,31.516776730355563,1.2450508019945798,2.416419714602368,0.1602448684835226,-8.363916052828435,-1.4582956131429727,12.881503141977682,18.0,39.9347918,2.0,-1.0,-0.54,69.0,-8.0,-17.990463199999997,-1.0,-16.0,-2.1,-26.0,RSM0304,16.166001785322468,17.26360636567645,18.16737253217784,18.91592421030537,19.540178726475933,20.06453195287425,20.50814550213956,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0304_57,RSM0304.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,9.0,18.9984032,2.0,17.0,3.98,57.0,0.0022915585350788,0.1150910056043895,0.9456121380779304,2.9838575246633434,5.254629828683776,6.803698565431211,7.620452015173253,8.001938698960993,8.144935900236387,2.1977639711490653,0.0605538463844991,2.796956397165121e-06,9.378570652473805,2.5367343291793016,5.616449480522591,0.241770955026857,8.207265910564129,18.54826436595774,0.8926205809370005,8.500617116110934,1.472273832736967,31.86622632139469,1.2740450090578403,2.486967721051701,0.1608584101321071,-8.500617116110934,-1.472273832736967,12.84040988046746,18.0,39.9347918,2.0,-1.0,-0.54,69.0,-8.0,-17.990463199999997,-1.0,-16.0,-2.1,-26.0,RSM0304,16.024024960050774,17.136828504142144,18.05422921758355,18.814804655152447,19.44957410322388,19.983091840105697,20.434689592376795,F[Co].OC(C(C(=O)[O-])O)C(=O)[O-].n1ccc(cc1)c1ccncc1.cat0,"linker OC(C(C(=O)[O-])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, nodes F[Co], topology "
RSM0060_0,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0058371936880753,0.2034193313951181,1.088130025437829,2.661515042490486,4.220796434336319,5.2467662106453,5.781223854485775,6.029735388756923,6.122727956067965,2.089679439836828,0.1174006850822371,9.748856316488987e-06,6.440124010171377,1.9515761452868008,4.264657509151369,0.3538756195177924,19.02156469588748,42.91683350038324,1.772146567011761,4.016340675265419,1.203837422484506,56.56168377639825,-19.02156469588748,-42.91683350038324,-1.772146567011761,4.016340675265419,1.203837422484506,-56.56168377639825,0.0,0.0,0.0,6.0,2.08,0.0,-23.0,-51.5353,-2.0,0.0,0.0,-75.0,RSM0060,19.137776610873164,19.597943267574745,19.96397971209704,20.259293143845824,20.500624843894443,20.70014226583008,20.86682747623512,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_1,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0054629869908021,0.1972326054649415,1.0690206513433953,2.622464690140226,4.158284642330284,5.167492311300385,5.692994460515521,5.937309718950196,6.028728128569831,2.058303659598044,0.1132501621127007,8.507383173410766e-06,6.260940749037523,1.8887470985035988,4.1564722099805165,0.3398790463253329,19.2224673402283,43.37171988518402,1.7913790511432373,4.065460324633787,1.219255192859636,57.202574115676505,-19.2224673402283,-43.37171988518402,-1.7913790511432373,4.065460324633787,1.219255192859636,-57.202574115676505,0.0,0.0,0.0,6.0,2.08,0.0,-23.0,-51.5353,-2.0,0.0,0.0,-75.0,RSM0060,19.38649904707403,19.812207221474605,20.15003878168878,20.42208870270107,20.644075187384782,20.82737391534211,20.9803539709782,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_2,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417729723024709,0.4802947569490986,1.3124008023909914,2.9861785770171867,4.865693784360133,6.179873398341422,6.882901844061887,7.213538079018624,7.337835818902549,2.3457184094365373,0.3825703114450114,0.0204586146005095,9.20225381899728,2.2833254123572098,5.985017894908533,0.2136038903098372,4.322842948969624,9.502278187283816,0.7594178009907186,10.398185356895372,0.5195272483932101,31.156189872362454,4.322842948969624,9.502278187283816,0.7594178009907186,10.398185356895372,0.5195272483932101,31.156189872362454,8.0,17.990463199999997,1.0,16.0,1.7799999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0060,3.536709349036449,4.246499548422113,4.968512678853365,5.68554930846759,6.385028838221178,7.058509365847004,7.700951139599973,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_3,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413938739965088,0.4743510326036507,1.2758893037100918,2.943834084484459,4.8702701852885575,6.234436194818534,6.967962661152266,7.313665067569283,7.44373461919981,2.2980838870976,0.3795046071284636,0.0203623991975814,9.159726956506914,2.189435963205435,6.009145836498822,0.1892771267145794,4.492778809072611,9.90961345081864,0.7821230017914953,10.749762823404575,0.5533175120739205,31.71613601908977,4.492778809072611,9.90961345081864,0.7821230017914953,10.749762823404575,0.5533175120739205,31.71613601908977,8.0,17.990463199999997,1.0,16.0,1.7799999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0060,3.635429979163826,4.354742428796788,5.083096099656066,5.803774475119769,6.50471891249192,7.177977535999687,7.818937333061717,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_4,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418481859602482,0.4815556056564465,1.3115248144434908,2.9646750917725937,4.811986386190895,6.100355342924485,6.788765540207069,7.112361621053221,7.23398744426529,2.333368474715063,0.3833404671227574,0.0204763122008217,9.163510509197812,2.266403415083833,5.960021961428136,0.2053633859026079,4.336016274792372,9.52187485986732,0.7635489320223776,10.44440773097139,0.5177438302428986,31.423205151767537,4.336016274792372,9.52187485986732,0.7635489320223776,10.44440773097139,0.5177438302428986,31.423205151767537,8.0,17.990463199999997,1.0,16.0,1.7799999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0060,3.521433899545895,4.22799943781738,4.947567392348829,5.662870968207239,6.36122573685167,7.034076118308285,7.676273963701218,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_5,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416057551645901,0.4750851731050665,1.2706579374834122,2.910068463348105,4.800367683339891,6.139617618053709,6.860125926701141,7.19979141246714,7.327606122415734,2.2761859604814445,0.3801012665082323,0.0204200148447918,9.04102663638983,2.132865371498848,5.942564060999745,0.1776340959072283,4.259573723974159,9.376911520140112,0.745513954287113,10.223685358271062,0.5171176662713135,30.438692732918327,4.259573723974159,9.376911520140112,0.745513954287113,10.223685358271062,0.5171176662713135,30.438692732918327,8.0,17.990463199999997,1.0,16.0,1.7799999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0060,3.63729170670294,4.356255226258422,5.084186803183954,5.80439337236815,6.504846245719837,7.177617948397189,7.818110987195738,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_6,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1272840742207996,0.7625262046408107,2.0639655202952163,4.001335686834945,5.926835524462168,7.214905759001037,7.892030074045756,8.20818928602817,8.326700029888372,3.3027872615221168,0.5697273303532474,0.0057108175982596,11.450146218673687,5.357483543350374,6.716419745492698,1.5233857872259835,1.344700290176054,3.099763025640815,0.0502901743204143,1.7470216847393685,0.5387169426141536,9.186963477776407,0.8417985469719107,1.993101588829452,-0.0502901743204143,0.4394771524085962,0.5035138205898636,-9.186963477776407,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0060,7.0771232497371965,7.920913155843791,8.739181534457316,9.531267784514196,10.296116150322874,11.032312105895128,11.73836257317712,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_7,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2196545454631944,0.906303504466492,2.1514362044967137,3.989126018678334,5.822601317481525,7.059568968600779,7.713788538555573,8.020211725835614,8.135230611851055,3.326701245914981,0.7136589592995075,0.0237111568019621,10.944818311965328,5.5592564826851305,6.35924147422233,1.697749273189715,2.0802379764097005,4.578152369379197,0.4153007489146407,5.402643967726826,0.1471352459621875,18.71218383612332,-2.072769512736707,-4.56075656687691,-0.4153007489146407,-5.395175504053833,-0.1435752782780607,-18.71218383612332,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0060,9.14787065837669,9.932500171260662,10.688935711592617,11.414849362345006,12.108374555467597,12.76822247548076,13.3937086162519,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_8,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.125946009017361,0.7599606239161867,2.060065752949012,3.951658131916609,5.80549706086576,7.044244388147679,7.696293953820378,8.001034326981003,8.115316793199309,3.2748508931063944,0.5670749679425717,0.0055697650419259,11.058905005552026,5.293075469547656,6.463815146355364,1.521197811240138,1.2719231858864228,2.9504030741773097,0.0092598266624705,1.3460017991861877,0.586864422772776,8.154108464595216,1.179324919261717,2.74663577335978,-0.0092598266624705,1.1052463059619524,0.5803825441090467,-8.154108464595216,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0060,7.076079162373786,7.9263915785780705,8.750935219363074,9.548807477736052,10.318786279292985,11.059370314283347,11.769046198129846,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_9,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190571578827087,0.9018089212454612,2.129229303466258,3.965843410347005,5.8118815084912505,7.055796737558644,7.712467649946006,8.01971477645347,8.13498845024618,3.300616062949878,0.7110005988284183,0.0235964828557004,10.8888803210125,5.490921989235331,6.352402679394282,1.6706564139907063,1.98544156526863,4.37946733347096,0.3809246012548378,5.032838375307332,0.1718471235598764,17.65345793009916,-1.8238044472797488,-4.002976597934399,-0.3809246012548378,-4.871201257318451,-0.0948000973185097,-17.65345793009916,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0060,9.120980635612456,9.921847188576514,10.691415393164874,11.427774433777811,12.129478711541086,12.79562437387858,13.425863220906692,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_10,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1277573100998578,0.7643127321737139,2.06986273374317,4.006692929550136,5.923992924510845,7.2053569722336,7.878974135224851,8.193533200212963,8.311452219136786,3.3096256895121585,0.5711223463452203,0.0057422330782533,11.456822853012604,5.389509796078999,6.718146048291564,1.5327841410654812,1.2851838160424134,2.9745447004140884,0.0294512695741879,1.5207939726359168,0.5527200040407424,8.532179686578807,0.9906711203005342,2.326454198773905,-0.0294512695741879,0.7550609637070307,0.532104115338811,-8.532179686578807,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0060,7.1008336156766045,7.942475053208389,8.757795240327622,9.546536424068009,10.30793331086148,11.040769353001116,11.743677156339263,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_11,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2200681820474296,0.9075900979782598,2.153974930204418,3.995926019708367,5.832816401341098,7.069430120700592,7.722418197624125,8.028010254673605,8.142675289668782,3.3317076509722066,0.714712553957019,0.0237598427315136,11.010726365511584,5.570197291945555,6.387116642258344,1.701282210535157,2.0797593653686928,4.5771347935202,0.4151496459791364,5.400956533201784,0.147214350668166,18.70713792705688,-2.071737094422672,-4.558449044066607,-0.4151496459791364,-5.392934262255763,-0.1433904015172292,-18.70713792705688,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0060,9.18615417345792,9.962775482054804,10.712442531337924,11.432625999185907,12.12130555712803,12.777069287705254,13.399129289760833,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_12,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1267710821691451,0.76272451929229,2.070817057279635,3.970873317442536,5.827407409557312,7.067594510611118,7.720672637409122,8.025988737581208,8.140504517161041,3.292033117571139,0.5692103126555783,0.0056502397003072,11.115599853609297,5.35141012983918,6.486053542499775,1.535470085700492,1.276418787319457,2.962598995004227,0.0090817294435913,1.3490726228681875,0.589521700750347,8.18661623493953,1.1856014928835434,2.762750816098689,-0.0090817294435913,1.1129476573348127,0.5831644901398331,-8.18661623493953,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0060,7.052996653025983,7.897438281379058,8.717300745278855,9.511506790607164,10.27869422455149,11.017242210458091,11.725530459822584,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_13,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2196159036492501,0.903764713403616,2.1330729842556257,3.964528396518,5.798698395259925,7.032224574436855,7.68280049146818,7.987065538213168,8.101199890146608,3.3021532956970776,0.7125107218214997,0.023683134707703,10.879254982111984,5.4940656125188685,6.334835169148804,1.6753488093815918,1.9979321253450208,4.409843986882905,0.3788956180651139,5.029097069865934,0.1819274470501012,17.70542263124936,-1.7910240553061183,-3.9279511143613215,-0.3788956180651139,-4.822188999827031,-0.0832994855954782,-17.70542263124936,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0060,9.132259710930832,9.927291484172072,10.691951719282756,11.424207155420032,12.122510632144271,12.78587044561535,13.413859707153048,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_14,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0983660684547305,0.6914058120649476,2.0815200932551425,4.06530340605149,5.88046886960359,7.04867515382444,7.654120562130164,7.935310160323903,8.040500556224611,3.3731532725753595,0.5006083587936121,0.0034915600254527,11.549839275624132,5.409934577636183,6.830245012557279,1.5504812037228857,0.7598014715944682,1.7327707549760123,0.0014313352072698,0.7712521532526271,0.3558514386152915,4.68757247346023,0.7454881195217696,1.7012734794457314,-0.0014313352072698,0.7340374378636106,0.3548495039702027,-4.68757247346023,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0060,7.363388092145358,8.154104109836684,8.940781232533938,9.717643278482583,10.478445822257838,11.217452110075936,11.929938794920991,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_15,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1256000029670881,0.7759855471870911,2.092019906317601,3.762900697033388,5.231620531835419,6.170680156133023,6.657281204728968,6.88336583068842,6.967962244654892,3.193220769343004,0.5753310788178977,0.0056811358684462,9.503086010217435,4.655885332501897,5.6075023970268045,1.5495454471035792,1.4170602667776278,2.9958530280703703,0.1636754816205415,2.72646411974196,0.3506410193179004,10.35881096629897,-0.2196945494277876,-0.605911056240089,-0.1636754816205415,-1.52909840239212,0.2360681821835214,-10.35881096629897,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0060,7.009873338865025,7.740310346262812,8.473047458048434,9.203887357866204,9.92748414110742,10.638257984940203,11.3310518683624,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_16,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1578029437684478,0.7759268879202832,1.845398458236196,3.4012331968320595,4.935630220158304,5.953710829886232,6.486759631898822,6.735224570895337,6.828297174262635,2.840840282311928,0.6021288405857986,0.0099322716137703,7.835768663124623,4.067776591575774,4.487816878738268,1.1944264228675447,1.8027079775338395,3.739080821702364,0.0154572793775647,1.6481351837581917,0.7377461959929038,8.95593509518229,1.8027079775338395,3.739080821702364,0.0154572793775647,1.6017633456254974,0.7276989643974867,-8.090327450038664,23.0,51.5353,2.0,3.0,1.4300000000000002,56.0,0.0,0.0,0.0,-3.0,-0.6499999999999999,-19.0,RSM0060,6.525672194697159,7.351029204942341,8.166247348342477,8.965309420498714,9.74345848563021,10.496808402142635,11.222236859087973,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_17,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1052209257638797,0.7324938864614777,2.170082904969487,4.164689363347416,5.978576537825815,7.144391775678828,7.748017600806734,8.028201627443666,8.132987744212368,3.471612904469559,0.5307961785935873,0.0038849008866611,12.203502112965149,5.611095476214286,7.52121553814627,1.7092519117960772,1.135170895555899,2.497891318077618,0.2243428121586018,2.929913392824713,0.0850081476824501,10.17327928163919,-1.108257226030119,-2.4388889217347374,-0.2243428121586018,-2.9029997232989326,-0.0720318208285709,-10.17327928163919,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0060,7.07495184569202,7.9051483660130355,8.719910725443414,9.513882268283282,10.282996297950804,11.024081035890347,11.734721085364509,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_18,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.098985804076023,0.6939607618154991,2.087209955882813,4.068476306527304,5.872988037759361,7.031079355941959,7.63049871496,7.908731472417501,8.01279159708001,3.378364613448224,0.5026070531473941,0.0035339603094385,11.52018185542027,5.4388293086441735,6.805447904969123,1.557301629368621,0.7581670760464769,1.7277280768724013,0.0,0.7581670760464769,0.3577788183273822,4.649549884935541,0.7581670760464769,1.7277280768724013,0.0,0.7581670760464769,0.3577788183273822,-4.649549884935541,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,0.0,0.0,0.0,0.0,0.0,-19.0,RSM0060,7.285131685767644,8.080646696816176,8.871522934469656,9.652022258666053,10.416004757859453,11.1578442808041,11.872910184170369,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_19,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1256742768380366,0.7764384320942487,2.094912346241624,3.78008578887901,5.274462778254908,6.234872287585348,6.733665693259461,6.965633702751682,7.052464174628385,3.20366515937786,0.5756459041207665,0.0056870808375672,9.5887901752647,4.690209948723785,5.643019404762944,1.5533628724939357,1.3389593944522806,2.8224193870201617,0.1465216039866724,2.51113222634566,0.3483947349096053,9.62522905199485,-0.1262566454144441,-0.4018646999406395,-0.1465216039866724,-1.2984294773078238,0.2458296121189346,-9.62522905199485,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0060,6.983638547041432,7.714542973290396,8.447654108655648,9.17878893150169,9.902636293245155,10.613652428684368,11.306709075132524,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_20,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1585911182689902,0.7782444750401041,1.853084030012138,3.4171232412382064,4.95130045824211,5.964524534303332,6.493710841773715,6.740091147249605,6.832338277062337,2.8545648039419804,0.604016949085377,0.0100252750229983,7.893141692996683,4.1181216634295605,4.507705395074826,1.2015087226329215,1.7794010451202515,3.7051606977545326,0.0090379178845331,1.6890218662749197,0.761560817013801,9.15110947271924,1.7794010451202515,3.7051606977545326,0.0090379178845331,1.66190811262132,0.7556861703888543,-8.644986071185384,23.0,51.5353,2.0,3.0,1.4300000000000002,56.0,0.0,0.0,0.0,-3.0,-0.6499999999999999,-19.0,RSM0060,6.503129047574752,7.327010971518969,8.13993166369802,8.936196467184216,9.711356011692894,10.461772613313853,11.184501075874362,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_21,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1049769759423337,0.7319008382712453,2.1716238991022885,4.17616150291655,6.006032993778709,7.185414031255635,7.797012892948328,8.081108745810981,8.187391506975995,3.478709016082657,0.5302179108130562,0.0038654281061783,12.261268328001185,5.634639801185691,7.548049564108929,1.712823011667564,1.130832743123369,2.488233058339125,0.2248777678640944,2.929854886036124,0.0818209219249679,10.15610004198716,-1.117944935517576,-2.460319159949562,-0.2248777678640944,-2.916967078430332,-0.075593515579898,-10.15610004198716,3.0,6.987703199999999,0.0,3.0,1.4300000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0060,7.10997429261232,7.939324683430521,8.752798860261617,9.545255990131103,10.31276814895601,11.05224729886788,11.761325670102815,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_22,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1025527626106771,0.6103066966322948,1.6845320689429124,3.184587166115687,4.586865268779071,5.4986197915261,5.972432741576055,6.1926280612666345,6.2750138558125945,2.657426754149359,0.4525652053074083,0.0053204209035196,7.487008756425164,3.01231296759953,4.456862331257343,0.7587160725589284,4.721571529770299,10.578607552189563,0.4137880189858166,1.087951532292592,0.3234157995147642,13.653656476764583,4.4907176140752085,10.106937098807917,0.4031442338805645,-0.8619171699772767,-0.233002054588638,12.097733260977924,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0060,9.76435407783087,10.56221829501995,11.350023984200156,12.119335880376068,12.8623762138745,13.573020542398138,14.24706312471171,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_23,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1024029122659194,0.571515285775112,1.610259025196816,3.2138181823866185,4.756243333522213,5.764893898206151,6.29001600802519,6.534241738416469,6.625647216899647,2.640596130625065,0.4285779219233574,0.0054505794630125,8.729018113913755,2.8519896373984555,5.388988713506901,0.5440327813407,1.596377776765356,3.431867302079836,0.220386730473231,3.168724582846202,0.2888934505884389,9.798651906157762,-1.349528669147118,-2.876015847669282,-0.1979459025079367,-3.168724582846202,-0.2888934505884389,-6.934653413088948,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0060,10.186315878952666,10.971424799764332,11.74131641989046,12.48928409171039,13.209109649687097,13.89590823556608,14.546376014339604,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_24,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1052373441307565,0.6219486337693123,1.7293699756805665,3.261729276695628,4.644697823671318,5.521478589501356,5.971508217520254,6.179506413243508,6.257153387363696,2.7291027812913,0.4611885993766498,0.0055935324717617,7.509221522070034,3.2669359610235067,4.400019486839731,0.8333872403719202,3.62353088256686,8.103393252952017,0.3097442193835514,0.8358329081148965,0.2638481353936917,10.528921037937288,3.606727713545749,8.06985412758588,0.3097442193835514,-0.4199471384404193,-0.0974938275239009,8.449492189564902,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-1.0,-1.9960000000000004,0.0,-4.0,-1.14,-5.0,RSM0060,9.557767209584847,10.361195249465966,11.151671457504674,11.922310330802503,12.666364584052422,13.378324491779969,14.054297607834885,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_25,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1039995091195999,0.5802785131944886,1.6357446394785071,3.16943812165706,4.572688902584511,5.472993467206582,5.93896174031839,6.155267044506438,6.23617051655854,2.63325581412121,0.4342578925660821,0.0056362169103116,8.347703556127462,2.958242902707256,5.024050551765951,0.5896108786037871,2.445752468398311,5.356961597429337,0.283397968672147,2.952834861586918,0.3208785305449071,11.490771629389164,-0.1504580701072843,-0.1929871722995612,-0.0763272208852565,-2.935318688951688,-0.3138720614908149,-2.9858168160831315,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0060,10.120406182222132,10.908435138150669,11.67884333702459,12.426166828884217,13.14496394301336,13.830802323367076,14.480614621211467,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_26,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1022816935494276,0.6090047376568334,1.6787028587720436,3.1687941724274635,4.562389401173277,5.469818589438734,5.941872084110042,6.161367251954805,6.243510392470375,2.645260545922473,0.4516242736349817,0.005288974870719,7.416063586031347,2.9788849874260768,4.413006691381845,0.748592913087225,5.755042571116662,12.935655830326551,0.5165617855268512,1.1496131220729728,0.3306515232183114,16.207985487474282,5.696676279660742,12.813907352276413,0.5114292419153251,-1.005795573159508,-0.2731245036529256,15.28359599844592,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0060,9.731886992668445,10.53608068791185,11.330036214261291,12.105089332698812,12.853312952145794,13.56850806321934,14.24645314666295,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_27,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1018504594118015,0.5690656794073011,1.5959042893736384,3.18165742707809,4.717918381405618,5.728423562687385,6.256162943801821,6.501963695255393,6.594014963538782,2.613642729983469,0.4269348806444136,0.0053885724844761,8.597016848436747,2.7726532584600427,5.318569933964897,0.5182544217145296,1.627737458496428,3.4959720160390586,0.2282029952203699,3.3241577230439048,0.2976924731459957,10.158509741513242,-1.4605326738646265,-3.1194625620704124,-0.2130025602538424,-3.3241577230439048,-0.2976924731459957,-7.489712477455256,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0060,10.29861024755683,11.083421558963162,11.852711179725272,12.599583108374624,13.31775571479347,14.002366210916582,14.650181998458896,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_28,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1041850939493705,0.6174578082246165,1.7176444656510093,3.2392656251359586,4.6129391779549005,5.484507258886487,5.932126064001137,6.139075212583353,6.216341386546773,2.7104021431919323,0.4577205436331617,0.0054923839902512,7.423160589936023,3.203436089300194,4.356090038724576,0.8175115757096463,3.975366136149424,8.904154292598035,0.3447121787504679,0.8729565273952116,0.2707093352050187,11.431382301360651,3.95735446149294,8.868202989983693,0.3447121787504679,-0.5239038622631438,-0.1310882691521916,9.686118975700314,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-1.0,-1.9960000000000004,0.0,-4.0,-1.14,-5.0,RSM0060,9.61066639979579,10.422192275661205,11.220056687499422,11.99697481484125,12.746014751182178,13.461643715021294,14.140050576965477,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_29,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.103490231562083,0.576402110716282,1.6145869637804031,3.131635498138281,4.536067319968539,5.444708623824573,5.917018338325323,6.136697349363216,6.218929740424057,2.599189220454639,0.4319338502691177,0.0055788979164627,8.188761852671929,2.846201955266661,4.960068332471304,0.5545958446019637,2.03895823586422,4.450415091989695,0.2285540492951331,2.47294768922578,0.2959843835840772,9.650432762596964,-0.2337010645514833,-0.3855388138087411,-0.0645019385893089,-2.4722637356771093,-0.295710802164609,-2.0752265205240703,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0060,10.16376508958725,10.954177659978814,11.727067539425956,12.476638099909929,13.197250875042162,13.884385207946645,14.534961081322573,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_30,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683991579290691,0.3839198237681745,1.296696823966665,2.951358158553213,4.6158795158821615,5.70986187085254,6.27834995374621,6.542310935683281,6.641021858113537,2.34411502800436,0.280684525614408,0.0046253136557621,7.58451493889441,2.40565449441663,4.739304027885952,0.5713896812488064,6.758657556220352,15.355069681411765,0.5639052344707111,2.2474156804546648,0.8303808578796121,23.906838480102497,5.6382037532543805,13.12070802078159,0.5639052344707111,-1.6925642948648632,-0.5307611096611193,18.913176009794288,21.0,47.5466,2.0,1.0,0.54,66.0,-2.0,-3.9887,0.0,-5.0,-1.54,-9.0,RSM0060,15.088192531454132,15.779067062029588,16.403591347683644,16.970242943745173,17.4859614654088,17.95646430400051,18.38652838907936,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_31,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0687984819811835,0.3793330136002041,1.2220962644779665,2.632431867760487,4.027488300891335,4.954597750424342,5.441315409523991,5.668558210007006,5.753746191208508,2.122299119858639,0.2786335585552109,0.0047089887657618,6.456664614570824,2.0606904345631096,4.023007740733096,0.341425342636384,4.031357324931362,9.086263790880484,0.2964496075049952,1.6597604648913988,0.6485923513591022,15.19974709123672,2.605948339137201,6.244088290765539,0.2964496075049952,-1.2478965584277375,-0.4261858418687251,11.492971933063767,21.0,47.5466,2.0,1.0,0.54,66.0,-2.0,-3.9887,0.0,-5.0,-1.54,-9.0,RSM0060,14.029965488324745,14.887531699772106,15.646670535745796,16.322593761636018,16.927555262101002,17.471430287489564,17.96223840877022,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_32,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0690332529259915,0.3884113920731164,1.315241927268585,2.9975810657638378,4.687592767917924,5.796028173624404,6.371243499602646,6.638144816408118,6.737925539044208,2.380246872109535,0.2837836859549904,0.0046887693330062,7.772785428237657,2.5042057253708765,4.835126853976411,0.5949533235986016,6.953504012495214,15.805387929108075,0.5791403507161994,2.3203812067656195,0.8589390068270619,24.65799118186569,5.800297331722724,13.505738647741577,0.5791403507161994,-1.7285272275878687,-0.5393378580710767,19.33130536926593,21.0,47.5466,2.0,1.0,0.54,66.0,-2.0,-3.9887,0.0,-5.0,-1.54,-9.0,RSM0060,15.250292560658211,15.914241969641784,16.516205435063448,17.063921518577974,17.56373791356752,18.02088657225284,18.43974001642393,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_33,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0687245444379546,0.3817381825401658,1.2377458123520615,2.660314829986892,4.047934755240907,4.959654440700566,5.435275095758893,5.65667350751269,5.739565504438491,2.1479236964459942,0.279829439845175,0.004688280448501,6.495467655471474,2.118733153336265,4.031446735775649,0.3593807595925704,4.375656155904078,9.873122988652362,0.3236446021474348,1.7864993387246,0.6979940997027945,16.483185483245876,2.8788677119922856,6.888582598547871,0.3236446021474348,-1.328512115924367,-0.4506809993906685,12.36130047804378,21.0,47.5466,2.0,1.0,0.54,66.0,-2.0,-3.9887,0.0,-5.0,-1.54,-9.0,RSM0060,14.084205361854156,14.930693512175736,15.68219030873468,16.352790332202527,16.95398954407827,17.49515176417941,17.983952492092737,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_34,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,9.0,18.9984032,2.0,17.0,3.98,57.0,0.0494114446404339,0.2949885502588356,1.0902628782607755,2.845190899069542,4.831772928930697,6.210872576325311,6.944659899580657,7.28881495636473,7.418040536066563,2.167737722535448,0.214832349081877,0.0025397128888238,8.784337970926558,2.1071355521776187,5.72163817616757,0.1992795638442261,2.3754502021064963,5.606494050325703,0.1186082366032099,3.3243160949321764,0.905295553660335,12.71538306131524,-2.3754502021064963,-5.606494050325703,-0.1186082366032099,-3.3243160949321764,-0.905295553660335,6.547754757948321,0.0,0.0,0.0,0.0,0.0,19.0,-8.0,-17.990463199999997,-1.0,-16.0,-1.7799999999999998,-26.0,RSM0060,13.046217952992269,14.19256737973028,15.185430462728524,16.047962193536154,16.80019714338734,17.458987738055853,18.03835509476209,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_35,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,9.0,18.9984032,2.0,17.0,3.98,57.0,0.0477819806260993,0.2871168516166952,1.0305962172592464,2.663645768126796,4.531090372641044,5.836083407811263,6.532693748760319,6.8598903314758655,6.98282296345378,2.0312005140905574,0.209678050261267,0.0023772592562426,8.18240055094539,1.851204958044366,5.369126072520723,0.1434675324301683,2.421246599564892,5.765237839098582,0.1121885406714187,2.764783053163828,0.8834848031158259,13.366735686640856,-1.6826174372016725,-4.12003013361466,-0.0383256244350968,-2.764783053163828,-0.8834848031158259,9.453367393871453,20.0,44.5475968,2.0,0.0,0.0,75.0,-8.0,-17.990463199999997,-1.0,-16.0,-2.08,-26.0,RSM0060,13.60254422770021,14.69930392739528,15.646462045352242,16.46778509743423,17.1832439833965,17.809344023826544,18.35966776355885,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_36,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,9.0,18.9984032,2.0,17.0,3.98,57.0,0.0490409585111931,0.2934526695508584,1.0910713620534085,2.8737188048803914,4.908602931658101,6.327133920462551,7.083266857926365,7.438171652554975,7.571474260799584,2.183252058036972,0.2136773246664459,0.0025024087780391,9.03124885143393,2.150399387217212,5.869563405854264,0.1925704827299679,2.756149041608165,6.45720710758135,0.1538000304628236,3.986549285310754,1.0139400501204714,14.205135553294502,-2.756149041608165,-6.45720710758135,-0.1538000304628236,-3.986549285310754,-1.0139400501204714,6.207533969227674,0.0,0.0,0.0,0.0,0.0,19.0,-8.0,-17.990463199999997,-1.0,-16.0,-1.7799999999999998,-26.0,RSM0060,13.025098611799327,14.17631810747766,15.173364932818428,16.039389986017603,16.79448514782504,17.45558371929931,18.03679169978334,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0060_37,RSM0060.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,9.0,18.9984032,2.0,17.0,3.98,57.0,0.0484736978913423,0.2912161198172061,1.060588103228314,2.746157682158205,4.672317184153175,6.021239508105815,6.7424177494393005,7.081417339236356,7.208827195711926,2.094190851891644,0.2122028427082785,0.0024450865024324,8.528926843952789,1.970295718301192,5.570716666328954,0.1645029849630402,2.2930410915668897,5.465489659042011,0.0949859670887309,2.9800166470401925,0.9093675022056674,12.92005572916697,-2.1958248499181634,-5.248952162273068,-0.0852643429238582,-2.9800166470401925,-0.9093675022056674,8.23354766883965,20.0,44.5475968,2.0,0.0,0.0,75.0,-8.0,-17.990463199999997,-1.0,-16.0,-2.08,-26.0,RSM0060,13.673067152359062,14.762664000306518,15.703569299251166,16.519377938090095,17.22994663236531,17.851698844566105,18.39815286981458,[Cu].[O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1.[O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1c(F)cc(cc1F)C1=NN=N[N]1, [O-]C(=O)c1c(F)cc(cc1F)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM1877_0,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0045936333559344,0.196350521920723,1.3496570838274633,3.798060909911289,6.293056145022731,7.916769943827587,8.754292838830082,9.141714302637348,9.286359220580858,2.887256774513559,0.1076228849838442,6.603697625030781e-06,13.140218908631375,4.110558257343589,8.05736107445881,0.516371446165508,22.475945088719605,50.57041599690747,2.0793241814532686,4.47594508871961,1.0733676875792546,64.17296725813073,-22.475945088719605,-50.57041599690747,-2.0793241814532686,2.889461459654243,1.0733676875792546,-64.17296725813073,-22.0,-49.5393,-2.0,4.0,1.14,-61.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1877,21.0743672882759,21.507250231867456,21.850076026970125,22.12569632120693,22.35030461890852,22.535578856778336,22.69008356549648,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_1,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0046022021299323,0.1964949773023682,1.350247294585935,3.7993592696740737,6.294958593669616,7.919008962793831,8.756688417395264,9.144178439547757,9.288848332845085,2.888307341355422,0.107715515775267,6.640539363186581e-06,13.147481744682016,4.114143612612789,8.060965779586155,0.5168936725653115,22.47457813379232,50.5674545437357,2.0790963556320525,4.474578133792315,1.073559061269076,64.16385422528212,-22.47457813379232,-50.5674545437357,-2.0790963556320525,2.8926510211512624,1.073559061269076,-64.16385422528212,-22.0,-49.5393,-2.0,4.0,1.14,-61.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1877,21.09684998261777,21.526500213487857,21.86669444693789,22.14015793086531,22.3629843906312,22.546774323348966,22.700032418487258,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_2,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0045983304511161,0.1964176949071886,1.3497844491712254,3.7981609152659535,6.293039225193309,7.916623953465593,8.754062686352963,9.141441050426751,9.286069193603817,2.8873772097678527,0.1076707660075308,6.619077633510367e-06,13.139308474304205,4.111012824109167,8.056355492219064,0.5165348080724034,22.477120603108755,50.572962701811,2.0795201005181267,4.477120603108759,1.0732031155647737,64.18080402072505,-22.477120603108755,-50.572962701811,-2.0795201005181267,2.8867185927462287,1.0732031155647737,-64.18080402072505,-22.0,-49.5393,-2.0,4.0,1.14,-61.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1877,21.065750073751715,21.49984223673393,21.84365659125945,22.120090721852527,22.34537432628124,22.531213473990444,22.686194502774143,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_3,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1393253568032565,0.4737936645582375,1.19860763704162,2.620716992930022,4.26519002322745,5.435352909358442,6.066245814648886,6.3639497687748445,6.476019053015973,2.071404513068247,0.3795367972644386,0.0196860217266566,7.332205183116471,1.5151023941932888,5.050847081521222,0.1725129784661757,2.537266185321468,5.547099349019128,0.4719739167717533,6.313057519495494,0.2521152055868367,20.351843247415403,2.537266185321468,5.547099349019128,0.4719739167717533,6.313057519495494,0.2521152055868367,20.351843247415403,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.421652411325008,4.026263104603767,4.659354453278951,5.304712295915607,5.949052886461601,6.582332228320171,7.197533635525205,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_4,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399303636291534,0.4761809075810189,1.2439808147064606,2.741938538276332,4.379720756150663,5.498224118079164,6.088552354277184,6.364394455108107,6.467807738328966,2.17290881698504,0.3806835827182286,0.0198657074047903,8.507499310267582,1.676008427567153,6.004599508898541,0.2696814074094256,3.186844832897203,6.952135325257841,0.578036918529297,7.811140181131578,0.3476764392081057,24.52836013256477,3.186844832897203,6.952135325257841,0.578036918529297,7.811140181131578,0.3476764392081057,24.52836013256477,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.5407380975389544,4.144399901956784,4.776784164191687,5.420817468525081,6.062928509676118,6.693082775812167,7.304402331008091,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_5,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1395427385802679,0.4746359916836754,1.2456505298170242,2.7702437744998187,4.469093402770026,5.646894962420867,6.273654817793963,6.567656111593156,6.678057763420514,2.187844430383702,0.3795065030192697,0.0197605085764941,7.88986584013481,1.8212101383462915,5.337764252390333,0.2562889363471594,2.6920041751391017,5.8678053309052585,0.4835591901595785,6.560477696415729,0.3036077464830448,20.389122435474988,2.6920041751391017,5.8678053309052585,0.4835591901595785,6.560477696415729,0.3036077464830448,20.389122435474988,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.5996465936208826,4.204659178916926,4.83707790972345,5.4806227914749455,6.122079114943406,6.751549264193892,7.362195631573836,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_6,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410608165036993,0.484218266173344,1.436902136775448,3.4614303552611525,5.689931830704615,7.214025411793598,8.019522700926052,8.396218272380311,8.537495941389771,2.688296854769457,0.3830416642650608,0.0202589291899422,12.11811058142908,3.007566387291526,8.060579204790006,0.4887154418448694,4.097334807083991,8.974450769574243,0.7784529064830407,10.32495805894832,0.3729429518567702,34.00502941839289,4.097334807083991,8.974450769574243,0.7784529064830407,10.32495805894832,0.3729429518567702,34.00502941839289,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.4772655762181257,4.144994348120271,4.835870255827511,5.531320469506154,6.217057456082909,6.882985343065911,7.522627218820073,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_7,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405903173861723,0.492967293149864,1.4087838324131796,3.252699539698733,5.308821899528047,6.741520522439901,7.506847380073487,7.866566740642185,8.00176525836837,2.549020162028639,0.3885759715432269,0.0200238642222189,10.407063169864315,2.668934837267912,6.931213172961764,0.442362195530627,3.755587794536978,8.216980110863652,0.6581037991784335,8.460564005003867,0.3633114271750913,27.702552676276365,3.755587794536978,8.216980110863652,0.6581037991784335,8.460564005003867,0.3553135102756544,27.702552676276365,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1877,3.212648998392972,3.807387873481306,4.431719999545477,5.070121394131067,5.709617174654701,6.340187483802907,6.954656863690013,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_8,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412322142945763,0.496469328148213,1.3825641761853027,3.041830880327199,4.836122757456283,6.075332035947993,6.735511396590664,7.045515909768452,7.161988733552661,2.4183798563700374,0.391078144422308,0.0201928852029451,9.064025903956878,2.3883250221619026,5.96610400404801,0.367779393506788,3.261047085289756,7.1273742424848,0.5496215461741086,6.999095745627503,0.3320045674817696,22.65462125766046,3.261047085289756,7.1273742424848,0.5496215461741086,6.999095745627503,0.3225913716381249,22.65462125766046,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1877,3.177336889619795,3.767557397339039,4.38689958890483,5.020361512840542,5.655340966694283,6.282043796710198,6.893399879865039,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_9,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414146601073879,0.4822895216306144,1.3082670046542124,2.861486080354844,4.524050408102394,5.660566420892831,6.262651567035951,6.544642445660112,6.65047484042295,2.2789457487727933,0.3833217366990896,0.0203507808203279,8.69121951457396,2.1209128559629016,5.640075476387031,0.1980765281546408,2.485017732601669,5.41403557846833,0.4438384217171162,6.0357251063386,0.285598003368874,18.643600857189785,2.485017732601669,5.41403557846833,0.4438384217171162,6.0357251063386,0.285598003368874,18.643600857189785,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.601689884673012,4.270659002278619,4.9597049785876965,5.651166752292332,6.331519115227703,6.991248073724306,7.624292686731549,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_10,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.139329022906433,0.4738511240408414,1.1996344117616946,2.6244582822795834,4.271646265211722,5.443498691399127,6.075240994903381,6.373333171486252,6.485546669389699,2.0741249028778075,0.3795618988348582,0.0196869585266963,7.348024430116527,1.5207985276488998,5.061519202349805,0.1741925784642143,2.543611624003255,5.561077802536601,0.4732576567582852,6.329672878069537,0.2525286165691959,20.40997785306369,2.543611624003255,5.561077802536601,0.4732576567582852,6.329672878069537,0.2525286165691959,20.40997785306369,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.4203869623493066,4.024979730427081,4.658078931675147,5.303457263058901,5.947824169292126,6.581132320046302,7.196363480345549,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_11,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398900674657,0.4762336265578152,1.2458692025129978,2.747082988134532,4.386032370943098,5.504291243582592,6.094226680264989,6.369830543399783,6.473146055720507,2.177091629002706,0.3806659566675829,0.019854218256301,8.531971850293198,1.686695100345496,6.018853141009736,0.2733864025941304,3.1794940420250333,6.936008335784884,0.5766144822860866,7.792409900313725,0.3470616677914844,24.46554354990089,3.1794940420250333,6.936008335784884,0.5766144822860866,7.792409900313725,0.3470616677914844,24.46554354990089,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.5351760669001706,4.13854986825536,4.770776847199681,5.414755707504079,6.056891596406089,6.687130483076266,7.298578545555797,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_12,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1395363721367561,0.4745394934954597,1.2445865217081982,2.766912107244977,4.463330608553151,5.639458235425772,6.26532518288526,6.558906760796995,6.669150643449018,2.1853654881703792,0.3794593942136,0.0197590371145468,7.876901702048428,1.817251027166016,5.327751159568455,0.2537582862946386,2.685238369701856,5.852956997871914,0.482245308720529,6.543200839466089,0.3030516528407986,20.33097976192776,2.685238369701856,5.852956997871914,0.482245308720529,6.543200839466089,0.3030516528407986,20.33097976192776,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.596269047429093,4.201342834126956,4.83383639291746,5.477465805672683,6.119013688289259,6.74858037030134,7.359326534548713,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_13,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410384948920329,0.4841977824432883,1.4373072415716457,3.4634574895335963,5.693604069332598,7.218621956017954,8.024542057510518,8.401420403438108,8.542764222118832,2.689690228135353,0.3830150101147535,0.0202524878789152,12.13173192682589,3.0117437516917764,8.068475425408202,0.4893436841231869,4.094724243343609,8.96875436811789,0.7779779991435403,10.318548236491932,0.3726610810369338,33.98483872332977,4.094724243343609,8.96875436811789,0.7779779991435403,10.318548236491932,0.3726610810369338,33.98483872332977,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.473789268049685,4.141625593536265,4.832587320305093,5.528115507610633,6.213930641829585,6.879940727317689,7.519670096636254,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_14,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406642514793012,0.4931448010504068,1.4098940448928494,3.256255873174973,5.314854467016646,6.749105356521597,7.515214018378933,7.875290852375469,8.010622174381457,2.551654565089821,0.3887101236107405,0.0200445963530337,10.424203823311537,2.6761162687913203,6.941134504895806,0.4440481050539653,3.754042544565227,8.213816745778857,0.6579769647478556,8.457409863381121,0.3627198731981619,27.70183910414699,3.754042544565227,8.213816745778857,0.6579769647478556,8.457409863381121,0.3547134674957768,27.70183910414699,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1877,3.21386982952457,3.808815621506019,4.433283307544539,5.071763538698974,5.711294387892759,6.341866951956125,6.956314683703506,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_15,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413156735836332,0.4965638385703797,1.3826725144995542,3.0425648436130603,4.837851609437523,6.077822163704472,6.738421923337075,7.048626698988662,7.165175194536649,2.4188245717994805,0.3911825053797661,0.020216636648426,9.067219555523112,2.3892758287217526,5.96802796035513,0.3677401968509359,3.264329698715991,7.134380512771798,0.5503050713525959,7.010718358743765,0.3326644833673813,22.68393529240135,3.264329698715991,7.134380512771798,0.5503050713525959,7.010718358743765,0.3232923132131957,22.68393529240135,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1877,3.17675993612736,3.7667906490295096,4.385954677472848,5.019258677745255,5.654104442530583,6.2806988462987645,6.891970919229522,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_16,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413455895397646,0.4822137264683013,1.3086624520922348,2.8630695971921027,4.526737216348049,5.663911406688822,6.266322323062901,6.548461364207823,6.654348711126563,2.280094645126145,0.3832314748903557,0.0203311047478065,8.691644645462192,2.122477310836517,5.641563341321054,0.1989368653763214,2.482776567259276,5.409294694672338,0.4435768571539987,6.031391424491266,0.2850491179336478,18.63649716448353,2.482776567259276,5.409294694672338,0.4435768571539987,6.031391424491266,0.2850491179336478,18.63649716448353,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.601114373173065,4.270634279673191,4.960106776188732,5.651894103653863,6.332490542303753,6.992398294718627,7.625569785471964,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_17,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1393028384206992,0.4738046098849988,1.1992036093323428,2.621691867532723,4.265153271430288,5.434029573791933,6.064090450099027,6.361373537344967,6.473280050568407,2.0724108941475103,0.3795207401199423,0.0196796486533864,7.33364944548426,1.5169575435970677,5.052639989161149,0.1737526607552016,2.536586276120947,5.545720891738375,0.4719530335572033,6.312210544578574,0.2518259048291368,20.35378096839949,2.536586276120947,5.545720891738375,0.4719530335572033,6.312210544578574,0.2518259048291368,20.35378096839949,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.421034523637667,4.025776566563184,4.6590430652266885,5.30458769664989,5.9491075967522855,6.5825485266927535,7.197889297633216,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_18,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398460483453558,0.4761514764827885,1.245054428230912,2.7431201242715915,4.378339464920927,5.494156633933092,6.082848311534983,6.357881668679524,6.460985025595731,2.174415437154884,0.3805965359842554,0.0198419055944389,8.5103928406709,1.6793442646635417,6.007430051374323,0.2725986784763924,3.182660133634161,6.942860294442812,0.5771350734375886,7.799740721134868,0.3475198112618023,24.48615447246041,3.182660133634161,6.942860294442812,0.5771350734375886,7.799740721134868,0.3475198112618023,24.48615447246041,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.53531911202306,4.138479873006324,4.7705250507591535,5.414353219180759,6.056367521216005,6.686510855902453,7.297885884000121,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_19,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1396240033250766,0.4746533012096689,1.244420020199686,2.766281243973536,4.462661513065619,5.638960850098028,6.264965540985196,6.558620808224386,6.668893723433735,2.1848570802262133,0.3795794502792641,0.0197836859879003,7.873533609925811,1.8144212906384949,5.328032042993514,0.2541315772094887,2.6915508012696283,5.866729028081051,0.4833916351312847,6.558683882319907,0.3037374588464197,20.37966045284179,2.6915508012696283,5.866729028081051,0.4833916351312847,6.558683882319907,0.3037374588464197,20.37966045284179,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.597960259675125,4.203179949671964,4.835820473248538,5.479584845712751,6.121247526484392,6.750904810909974,7.361716404429473,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_20,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410431483876179,0.484281555941605,1.4379757662857993,3.4645083373786294,5.694529537119912,7.2193798782217025,8.02520675351871,8.402041936575182,8.543369724419133,2.6906922716417165,0.3830537130767528,0.020253755253321,12.135487170967464,3.015274442727304,8.069559483415716,0.4902058220328539,4.096540661609381,8.972635178430753,0.7782275586241446,10.322361130602538,0.3730270510778923,33.99322579564322,4.096540661609381,8.972635178430753,0.7782275586241446,10.322361130602538,0.3730270510778923,33.99322579564322,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.474261973601658,4.142011951893758,4.832932106152135,5.528445765220051,6.214261359353224,6.880279185615672,7.520018917935685,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_21,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.14066225311429,0.492897518030442,1.4081008543744276,3.2528090128688154,5.311047480712669,6.74548908105302,7.511789483558141,7.871972975711873,8.007346798919624,2.548624290693891,0.3885912207965578,0.02004455455404,10.413293287389369,2.668936313215018,6.934582687794773,0.4409466451374527,3.764149768936544,8.235925079088577,0.659528574026476,8.47585646738702,0.3637234793332905,27.762922258756344,3.764149768936544,8.235925079088577,0.659528574026476,8.47585646738702,0.3556588808509858,27.762922258756344,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1877,3.214798087143925,3.809714936704224,4.434170904290881,5.072644809273255,5.712168754267402,6.342731192771734,6.957164747889444,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_22,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413254069276816,0.4966568750734099,1.3829652037247764,3.0427467411780875,4.837488936429263,6.076928144383077,6.737208270009603,7.047255635018753,7.163743875712485,2.419105136186802,0.3912397061101568,0.0202191607881253,9.066294671129253,2.3888981808428107,5.968382773602085,0.368534530242054,3.264250978526884,7.134405127177671,0.550271998201595,7.007847325912676,0.3322668541077752,22.68387947635905,3.264250978526884,7.134405127177671,0.550271998201595,7.007847325912676,0.3228585735616756,22.68387947635905,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1877,3.1745311453545413,3.764653960615739,4.383888352547547,5.017251609706385,5.652152861923489,6.278803414138729,6.890134594145653,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_23,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413751961165627,0.4821860834995057,1.3077238347186315,2.859659121759535,4.5208067451175085,5.656397826283508,6.25800873539446,6.539781112635822,6.645532081069737,2.2776209056046124,0.3832432198512816,0.0203396770597681,8.679572370155658,2.1164878654650305,5.635223054751427,0.1980254226666178,2.485870911618625,5.415928812706112,0.444024476040651,6.038066719943833,0.2856253470077589,18.65235876475245,2.485870911618625,5.415928812706112,0.444024476040651,6.038066719943833,0.2856253470077589,18.65235876475245,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.6011536360432266,4.270404829512921,4.959662726288386,5.651279595283235,6.331742015623103,6.99154599319669,7.624638749605409,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_24,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1392764996593451,0.4737257302559334,1.198547020008954,2.6206677549726134,4.265147747949686,5.435314244567079,6.066208937402982,6.363913720479695,6.475983315793612,2.071351821837029,0.3794697943164015,0.0196722355623982,7.33195252976481,1.515030439822556,5.050686322629564,0.1725025980642423,2.5371685390419594,5.546889989376019,0.47195978083643,6.3128467857334,0.252097044374057,20.351341963340303,2.5371685390419594,5.546889989376019,0.47195978083643,6.3128467857334,0.252097044374057,20.351341963340303,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.421656072883053,4.026283930660621,4.659390484480519,5.304761248210547,5.949112428330968,6.582400154056975,7.197607958966037,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_25,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398613476007818,0.4760812979936271,1.2438784544487531,2.7418203232934664,4.379570614172406,5.49804759905106,6.088360862596639,6.364195754533646,6.467606302481062,2.1727987728707,0.3805868279996869,0.0198461730947394,8.507084137837392,1.6758564279181003,6.004317478030637,0.269627518900227,3.1866828710319046,6.951776942997855,0.5780025933925593,7.810703618172378,0.3476691606812584,24.526767182319627,3.1866828710319046,6.951776942997855,0.5780025933925593,7.810703618172378,0.3476691606812584,24.526767182319627,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.5407141097033348,4.144358157376028,4.776727546563068,5.420748755098923,6.062850264217444,6.692997285630835,7.304311581304687,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_26,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.13958141592595,0.4746854588224641,1.245700986279414,2.7703114553545536,4.469173917584654,5.6469806574054,6.273742339955069,6.567744302706619,6.6781461770373785,2.187905900903253,0.379556483375156,0.0197715262576018,7.890037614684641,1.8213428325085816,5.337807848669675,0.2563184783435332,2.692009769205099,5.867819537312337,0.4835621631457617,6.560507074371193,0.3036042443043982,20.38930257417784,2.692009769205099,5.867819537312337,0.4835621631457617,6.560507074371193,0.3036042443043982,20.38930257417784,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.599634662432323,4.2046377675062985,4.837049299767788,5.48058880821907,6.12204121609198,6.751508611301759,7.362153147039268,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_27,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410477463067142,0.4842038731411277,1.4369158807244529,3.461496087044763,5.6900339376134825,7.214143757095838,8.019647507140213,8.396345669084013,8.537624243702986,2.688345233246661,0.3830257120904521,0.020255169583102,12.118618400676947,3.0076652104963366,8.06094452591327,0.4887590815144441,4.097367265951755,8.974520800674659,0.778458033003791,10.325031529982086,0.3729480910083984,34.00522598050661,4.097367265951755,8.974520800674659,0.778458033003791,10.325031529982086,0.3729480910083984,34.00522598050661,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.477257876209408,4.144977319694848,4.83584526707957,5.531288926966014,6.217020699519653,6.8829445843533374,7.522583513928885,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_28,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405910829665612,0.492987277199499,1.4088452132573692,3.2527715945667643,5.308892823960539,6.741594385485636,7.506924497083581,7.866645791461339,8.001845101746152,2.549091941282683,0.3885884516849496,0.0200238654944994,10.40748612062289,2.6690495599510267,6.931486259641408,0.4423627765478568,3.755511423116455,8.216807339704072,0.6580825496700425,8.460301228801713,0.3633158474788636,27.70145917898565,3.755511423116455,8.216807339704072,0.6580825496700425,8.460301228801713,0.3553176961692195,27.70145917898565,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1877,3.2125905439331004,3.807331916416612,4.431667480138391,5.070072832827956,5.7095727751765,6.3401472290458045,6.954620594026121,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_29,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413002488836992,0.4965762609610111,1.382708460567794,3.041995315403325,4.836289913865803,6.075499852839323,6.735679904650255,7.045684866527233,7.162157881457888,2.4185405925666004,0.3911780653838428,0.0202122454939474,9.064674627588207,2.388619895525796,5.96643087049303,0.3678468491108045,3.261095637272361,7.127490090533141,0.5496242832929249,6.998976949892455,0.3319905285266499,22.654709776653,3.261095637272361,7.127490090533141,0.5496242832929249,6.998976949892455,0.3225746291877456,22.654709776653,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1877,3.1773186822328525,3.7675504050111672,4.386902447465272,5.020372749824781,5.655359138671556,6.282067568763381,6.893428064547425,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_30,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414468578349852,0.4823334496471785,1.3083163989909048,2.8615339636029904,4.524089377482511,5.66059975806743,6.262682487955052,6.544672394386057,6.650504451670393,2.2789957516925767,0.3833648401172848,0.0203600486053331,8.69140012972439,2.120994031027717,5.640185777834832,0.198093049229046,2.48506864549295,5.414145078927721,0.4438461247250502,6.035837643293353,0.2856067743689396,18.64388550328877,2.48506864549295,5.414145078927721,0.4438461247250502,6.035837643293353,0.2856067743689396,18.64388550328877,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.601729131837605,4.2706845057630165,4.959717681112884,5.651168053452413,6.331510608665808,6.991231368325705,7.624269297656633,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_31,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1393363037764302,0.4738567208927501,1.1996114883905518,2.6244154648202174,4.271606498943733,5.443465631407943,6.075212032387364,6.3733061856700255,6.4855204307812855,2.0740853874824934,0.3795699044194275,0.0196889917138501,7.347848833537022,1.5207308222276277,5.061414731713335,0.1741792045584085,2.543919747998103,5.561748907591987,0.4733124981303277,6.330419733040724,0.252564430445382,20.412276129132422,2.543919747998103,5.561748907591987,0.4733124981303277,6.330419733040724,0.252564430445382,20.412276129132422,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.420335135292455,4.024925516056855,4.658023855794469,5.30340251883605,5.947770639653591,6.581080627748524,7.196314043148138,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_32,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398858737850763,0.4762223930042661,1.2458382549185194,2.747012298278035,4.385905100730962,5.504118695057498,6.094028442796332,6.369619919582885,6.472930728316954,2.177037356733002,0.3806571670146358,0.0198530720979238,8.531683286218914,1.686618612022316,6.01865606769782,0.2733714974138848,3.179328609688428,6.935643103689562,0.5765802326562047,7.791970470938066,0.3470525301692992,24.4639732374922,3.179328609688428,6.935643103689562,0.5765802326562047,7.791970470938066,0.3470525301692992,24.4639732374922,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.535255329387688,4.138632162398962,4.770860865268164,5.414840293042307,6.056975776690274,6.687213469262746,7.298659716611129,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_33,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1394972897006879,0.4744823253363665,1.2445308462750413,2.766858990507359,4.463268747166281,5.639385866818225,6.265246209336875,6.558824491719286,6.669067107291829,2.185312802747173,0.3794040120629245,0.0197480214933258,7.876719343287202,1.817196133493515,5.327597095999389,0.2537362135156058,2.685265370414524,5.853012182209279,0.4822465709080245,6.543237937678718,0.3030622325962648,20.3309331114891,2.685265370414524,5.853012182209279,0.4822465709080245,6.543237937678718,0.3030622325962648,20.3309331114891,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.5962744722189504,4.201343558853774,4.833833290915363,5.477459641680731,6.119005118009762,6.748569947517179,7.35931472148229,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_34,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410519031337689,0.4842197031743768,1.4372907187291168,3.46338070982305,5.693516879961392,7.218548023129926,8.024479839753415,8.401364596993407,8.542710961403248,2.689629185153552,0.3830365942113941,0.0202562302437475,12.131574371899902,3.0115107652803137,8.068514170595376,0.489255201824966,4.09470151214393,8.968705951611517,0.7779750218743701,10.318501687138893,0.372656195014348,33.984743970486264,4.09470151214393,8.968705951611517,0.7779750218743701,10.318501687138893,0.372656195014348,33.984743970486264,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.473753652186354,4.141594604550842,4.83256090969804,5.5280933656759945,6.213912337143911,6.87992579308749,7.51965807893138,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_35,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406605167729208,0.4931598971008928,1.4099516078979777,3.2563073599963586,5.314868156454314,6.749090022761303,7.515183443811422,7.87525324879053,8.010581954871602,2.551714535996773,0.3887172582296188,0.0200433088858827,10.424368223735083,2.676187940061397,6.941281861048221,0.4440999227685767,3.754012141567078,8.213736815178429,0.657980785632636,8.457681532326992,0.3627429784101812,27.702058184623795,3.754012141567078,8.213736815178429,0.657980785632636,8.457681532326992,0.354740451348736,27.702058184623795,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1877,3.2138376662065835,3.8087539743397376,4.433194115117109,5.071649847676836,5.711159829449708,6.341715321089116,6.956149647171876,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_36,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412357661319118,0.4964284828547652,1.38250876746992,3.042412935527416,4.837723575977504,6.077710080477137,6.738317822503312,7.048526211369959,7.165076041864809,2.41866549215162,0.3910575495265691,0.0201941449070022,9.06685081213852,2.389029492792286,5.967895539826204,0.367670719299518,3.264246477713281,7.134205978357051,0.5502835156105538,7.010302971104261,0.3326418956727407,22.68296038456038,3.264246477713281,7.134205978357051,0.5502835156105538,7.010302971104261,0.3232674437942629,22.68296038456038,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1877,3.176768785237877,3.766778745840803,4.385923019584357,5.019209112582682,5.6540393016766375,6.280620643110066,6.891882133387557,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_37,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413785684124983,0.4822805548162717,1.308780804434438,2.8632373262547555,4.526945504127395,5.664145395013465,6.266569527742157,6.548714678641582,6.654604306142744,2.28024634103942,0.3832891345774425,0.0203403602960059,8.692591290075534,2.1227310097513303,5.642139750129764,0.1989550781696717,2.4828067077485336,5.409362666791036,0.4435844950183468,6.031482667895308,0.2850478472582529,18.63688111254161,2.4828067077485336,5.409362666791036,0.4435844950183468,6.031482667895308,0.2850478472582529,18.63688111254161,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.60113574629259,4.2706658085266325,4.96014673917691,5.65194070636883,6.332542111801977,6.992453368960383,7.625627138995661,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_38,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1393030520877201,0.4738130248405431,1.1992250335953083,2.621689064843249,4.265115495077991,5.433970389261633,6.064021067735788,6.361299654504486,6.473204523609747,2.072419852007952,0.3795257590994886,0.019679648818144,7.333609441010423,1.516911901642986,5.052653771426125,0.173746415999568,2.53655445894259,5.545650604289419,0.4719464040830778,6.312125691607212,0.2518242363074057,20.353475991102496,2.53655445894259,5.545650604289419,0.4719464040830778,6.312125691607212,0.2518242363074057,20.353475991102496,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.4210100803741645,4.025749128181703,4.659013818200638,5.304557558712714,5.949077252757446,6.582518472987736,7.197859884409032,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_39,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.139923307480488,0.4762722134691762,1.2451378344401287,2.743050515277413,4.378126296692372,5.493860858434934,6.082512974963574,6.357528681585143,6.4606255499083485,2.174402896721124,0.380711427216397,0.0198636201742463,8.509904861416311,1.6792118288717068,6.007072280784335,0.2725316893753489,3.18249726236215,6.942496581151874,0.577097310685815,7.799275747848671,0.3475193061172416,24.484325436196308,3.18249726236215,6.942496581151874,0.577097310685815,7.799275747848671,0.3475193061172416,24.484325436196308,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.5352982057516726,4.138457984470382,4.770502597560791,5.414330521913445,6.05634482754348,6.686488355893745,7.297863720670011,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_40,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1395346819229023,0.4745248796607453,1.2443162907321956,2.7662260872290574,4.46264942071501,5.638977431650639,6.264997435692683,6.558659924968801,6.668935559818968,2.184785390672116,0.3794535463335321,0.0197585410587531,7.873363683367931,1.814332714307808,5.327966643413605,0.2541190727171767,2.6915641651201248,5.866759880591893,0.4833957204154672,6.558729928443863,0.3037354280363799,20.37987960348208,2.6915641651201248,5.866759880591893,0.4833957204154672,6.558729928443863,0.3037354280363799,20.37987960348208,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.597978892001638,4.203201390371953,4.835844666059436,5.479611505652664,6.121276242942568,6.750935125025889,7.3617478609516676,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_41,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410435699075416,0.4842913266547428,1.4379960723187188,3.464545677239088,5.694600736254521,7.21948069096556,8.025324824246814,8.402168408314779,8.543499397746531,2.690721374186736,0.3830603503193932,0.0202537556797848,12.135816787725798,3.015297448606733,8.069835350970292,0.4902132103463653,4.096707466274203,8.97300166714964,0.7782603587022676,10.322790335892345,0.3730399051995969,33.994687777787725,4.096707466274203,8.97300166714964,0.7782603587022676,10.322790335892345,0.3730399051995969,33.994687777787725,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.474275403249491,4.142006835261594,4.83291032717644,5.528409662328417,6.214213391793948,6.880221717231583,7.519954095960608,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_42,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140579635160521,0.4927881224469564,1.408045926580324,3.25284411591034,5.311156478792097,6.745640487103522,7.511961309904226,7.872153934970417,8.007531118504584,2.5486288031456765,0.388480291428729,0.0200210559500494,10.413683166038927,2.669028087293346,6.934865271753897,0.4409585325008864,3.7643750940214873,8.236401592450216,0.6595675645266714,8.476547484750565,0.3637780759586105,27.76441147271225,3.7643750940214873,8.236401592450216,0.6595675645266714,8.476547484750565,0.3557156741659777,27.76441147271225,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1877,3.214811914386097,3.809744688988832,4.434214833098575,5.072700852386141,5.712234778100107,6.342805151385988,6.957244774949079,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_43,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413065587209317,0.4966306726915981,1.3829548720420206,3.042751639002625,4.837494467277791,6.076928315471956,6.737204150412689,7.047249204388068,7.163736531082281,2.419106511075923,0.3912130936170606,0.0202138538194397,9.06625681810443,2.3889572560698182,5.968302842699314,0.3685314173611475,3.2640946611004096,7.134060096632775,0.5502522897612825,7.007684183897659,0.3322572177622634,22.68317013621829,3.2640946611004096,7.134060096632775,0.5502522897612825,7.007684183897659,0.3228510921152204,22.68317013621829,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1877,3.1744870425739884,3.764620314007402,4.383864872258059,5.017237570613453,5.652147290103267,6.278805229784071,6.890142710643717,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_44,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413754236156957,0.4821957128548589,1.3077687949057673,2.8597540712289087,4.520950167547485,5.656573970820874,6.258202196903149,6.539982684719117,6.645736697227791,2.277698207857696,0.3832487337886732,0.0203396772535107,8.680036869916608,2.116635828944715,5.635511175724426,0.1980487099498961,2.485761330763493,5.415692398901158,0.4440071792964375,6.037818765134992,0.2856079755515929,18.651695896933155,2.485761330763493,5.415692398901158,0.4440071792964375,6.037818765134992,0.2856079755515929,18.651695896933155,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1877,3.6011615156428025,4.270392963774372,4.959633518756507,5.651235747023205,6.331686230789784,6.991480795405289,7.624566385448186,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_45,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2276153200206661,0.937967224469405,2.106368800608811,3.618062860477505,5.118960156947115,6.162034393279741,6.724367959636016,6.990193921994373,7.090365290569184,3.0822978628765645,0.7404687317079113,0.0239076478081164,8.51647651974867,4.862599496424399,4.867569756833495,1.6398406538707446,2.226418993092684,4.847203489411935,0.3942969799356025,5.380794832577504,0.2629216487506499,19.01803456417547,-1.7165508062633408,-3.8295065885005646,-0.3942969799356025,-4.870926645748161,-0.0130862372042715,-19.01803456417547,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.73736259134386,10.426755742169949,11.11147370008599,11.784414600850786,12.4395939450677,13.07231015582052,13.679135391272151,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_46,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2266967947292079,0.9361924663651636,2.1161422469451656,3.616780389128496,5.035548924298656,5.987928377862684,6.49271015032897,6.729533406566698,6.818498157710812,3.0929564379065604,0.7383660624843482,0.0239275165822569,8.35708464204593,4.903816609032872,4.807644658064671,1.671995995729829,2.1650532562849207,4.711009734460622,0.380894281078572,5.212207504913496,0.2609981053146097,18.44315190299604,-1.6438895545007992,-3.6707669856995153,-0.380894281078572,-4.691043803129375,-0.0056278914403903,-18.44315190299604,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.980352817213362,10.619487098597045,11.26717332929075,11.9135997674809,12.550212013521582,13.170137698615845,13.768238637948768,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_47,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2264167616100083,0.918630209889614,2.092231954688338,3.7834121398361615,5.463053648900512,6.587444518419242,7.178822542436062,7.455019514126285,7.558562958237728,3.174233729517343,0.7281896376640111,0.0239005797986348,9.701281201217856,5.1931788306243085,5.594365552601165,1.6329080862591856,2.1558056433047588,4.691767403061363,0.3801276340735507,5.196826715893165,0.2580767336648751,18.38158089799481,-1.645470697430749,-3.67313885109684,-0.3801276340735507,-4.686491770019155,-0.0080126101866101,-18.38158089799481,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.54508401012789,10.248456697244714,10.948967929769951,11.638639985725542,12.310649187755788,12.959639722422455,13.581741983858317,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_48,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1143667873558988,0.739511787241861,2.1151407716311525,4.12111108094766,6.062069819291804,7.353346901857833,8.032408080697035,8.349719406619455,8.468713302387972,3.407254359784221,0.5435705519521666,0.0047012998357557,12.239115861994708,5.4687415812095646,7.466103579073807,1.5918098637368576,0.938599483733857,2.0079603347460315,0.1315223172721392,1.9907780219109708,0.1837168807580975,7.323443764112069,-0.3766236889875355,-0.8862566484323737,-0.1315223172721392,-1.4288022271646494,0.0916512586676001,-7.323443764112069,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.455929598590931,8.218355959706535,8.98150682391052,9.73891210481669,10.484175101452362,11.211477875319474,11.915922313955706,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_49,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1253367709597548,0.771208787104238,2.099107284009917,3.9845774310775823,5.842361521040855,7.100320138459277,7.768135744162515,8.081555843865948,8.199305384416592,3.311382833003448,0.5725408426484451,0.0056413986628281,11.359219475105904,5.072080148013045,6.802728013556643,1.566410504818969,1.1182789438712133,2.341096143788872,0.1065854861569956,1.970962833127179,0.3241271615672036,7.72310444249598,0.0524240823012565,-0.0043729035486206,-0.1065854861569956,-0.800259806954709,0.2495173212573067,-7.72310444249598,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.30293197484443,8.044536385047158,8.788142438357383,9.528415577665765,10.259651003977703,10.976301590647733,11.673415920791784,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_50,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1226328094626784,0.7700154245848506,2.141424588447729,4.106437662865788,6.013541231499631,7.288504251428872,7.9608400850270415,8.27541452278934,8.393446066229147,3.407451659541033,0.5692649090102311,0.0053558971452654,11.890765205939706,5.465961663828342,6.946047329583622,1.6350301137313137,1.4251997896434978,3.031794729224072,0.1829324075009284,2.8886590496509257,0.3141898411733643,10.78464709823606,-0.4041242853657866,-0.9937280226857598,-0.1829324075009284,-1.8675835453732148,0.1861371559227145,-10.78464709823606,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.359824563050867,8.100440067863516,8.846772564902206,9.59220344339792,10.329877001008358,11.053341888230474,11.757006734152869,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_51,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1057565891538068,0.7411823282247044,2.2565798898290086,4.446713864760257,6.459900838406594,7.749957555807937,8.41552070714705,8.723830456426883,8.839030609567644,3.679787418023704,0.5353939888515484,0.0039043529255437,13.87884940461264,6.523831511118246,8.314486698108468,1.8261611158675244,0.6797070525164475,1.4936762452674204,0.1339326610784459,1.751168341144015,0.0517978674683227,6.077188484151155,-0.6596195582680119,-1.453581606747543,-0.1339326610784459,-1.7310808468955794,-0.0419549952865893,-6.077188484151155,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.581604679619592,8.357007530503333,9.124773274408938,9.88011296618444,10.618443726296736,11.335596805154864,12.02803029740017,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_52,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186787479930148,0.9177607783365478,2.2017788553458875,4.081199579094498,5.976785162206326,7.272410587953201,7.962757960202575,8.28723466173377,8.409209712033906,3.402911511922989,0.7194480052041686,0.0234629478020443,11.778152769736712,5.821289621016556,6.966558317571258,1.778464961365555,1.886787809640126,4.143108616429086,0.3686887914930133,4.836298141584233,0.1502795645883334,16.807714878060896,-1.8001001052900083,-3.970079958546251,-0.3686887914930133,-4.749610437234115,-0.1078025894567756,-16.807714878060896,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.860905173563133,10.597775613894006,11.313184440662816,12.0039842143023,12.66749169364908,13.301661216400433,13.905138109037823,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_53,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2281335844418398,0.938551123716111,2.1561760462480186,3.924672203589056,5.775822539367726,7.069508463434176,7.76539641821144,8.093761237475109,8.217390554561598,3.278685183630877,0.7408460665430506,0.0241396794405474,11.054690563304211,5.354442508676956,6.585212065619992,1.6886485875756925,2.193760889801786,4.7709015896345,0.3834280315911201,5.2611851425307465,0.2697439696615231,18.637365080831334,-1.6405194261094145,-3.6666316281045246,-0.3834280315911201,-4.707943678838374,0.0013443475477393,-18.637365080831334,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.56376084437389,10.28071946987682,10.985722875418178,11.67376100539017,12.340377847519116,12.98195516252474,13.59582021356427,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_54,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2298986615912082,0.943759067892964,2.1760936780804685,3.9452904985991206,5.729979892548821,6.94450864895303,7.589236726291573,7.891664187347032,8.005249523672692,3.306253715110276,0.7450214028036078,0.0244072458699463,10.7917384234914,5.4766132405724335,6.305079371079847,1.7318191358334494,2.154131076266758,4.674399540339674,0.366414322139333,5.085445653381423,0.2860541508781119,18.09894182412045,-1.5100121451265724,-3.3887381537838634,-0.366414322139333,-4.441326722241237,0.0295641253805789,-18.09894182412045,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.481087231274724,10.206157689406863,10.916662079888669,11.608326982183076,12.27728884659328,12.92038475757659,13.535276348973587,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_55,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2198313167671667,0.92281449373317,2.2224098622603345,4.077813374154185,5.866756498817469,7.052990103009686,7.67569514342301,7.966434752057396,8.075427095929534,3.4181694617080955,0.7229568016384365,0.0236256096390483,11.384255133407798,5.93798988429563,6.514427549585536,1.813818730946832,1.8936510860878144,4.151492713375649,0.3634920661194921,4.801587615043751,0.1645556933320954,16.738096752828913,-1.741269575107107,-3.8473392174581575,-0.3634920661194921,-4.649206104063044,-0.0898887529515488,-16.738096752828913,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.82527330888085,10.56160705092774,11.275686246114883,11.96476017295041,12.62643074833237,13.258848529379597,13.860783371791618,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_56,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2276270819400876,0.9379640305681424,2.106126121540667,3.6182800465806473,5.120938261899183,6.165687054378598,6.729016809204509,6.995330874031767,7.095688680916578,3.082176621741821,0.7404793243655459,0.0239096796916347,8.521398350360764,4.860609761692087,4.8725074061533045,1.6394085340268256,2.226351192119333,4.846951012452625,0.3941824406336147,5.37981071718825,0.2631289588078823,19.01540477326896,-1.715473214216814,-3.827238568559195,-0.3941824406336147,-4.868932739285731,-0.0127987496356476,-19.01540477326896,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.745321677418753,10.434211856222555,11.118583195779031,11.79125720923494,12.44620642331858,13.078706537703669,13.685318800424824,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_57,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2266682082271724,0.9361719558762196,2.116316594394245,3.6182069216337713,5.038951964015451,5.99282350865994,6.498415326130814,6.735620486814739,6.824728853171143,3.093810562890596,0.7383400326146656,0.0239173685351011,8.36738135041784,4.905474224418967,4.815352697923884,1.6721075797947929,2.1646860527305893,4.710194623180671,0.3808139367304298,5.211197546574029,0.260986898704086,18.439708998261544,-1.6434533145737094,-3.6698140778195385,-0.3808139367304298,-4.689964808417148,-0.0055828570072146,-18.439708998261544,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.996627082257126,10.634442878522844,11.281041212794776,11.926534501852537,12.562322889435029,13.181506336974085,13.778929479707047,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_58,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2263607627742242,0.918511415291998,2.092263331672441,3.7833637067255768,5.462073670857318,6.585478205464667,7.176249854934566,7.452146067954044,7.555574093425652,3.174316546035747,0.7280767017079396,0.0238933875352987,9.69662986485209,5.193932069841585,5.590322295675734,1.6329472023676703,2.157033190169391,4.694545421792758,0.3804481737794331,5.200618580404855,0.2580050982461921,18.39412942643561,-1.6474485476249394,-3.677414475274032,-0.3804481737794331,-4.691033937860404,-0.0083086233994106,-18.39412942643561,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.548405955355928,10.25197705197158,10.952616829233763,11.642352955411118,12.314371940128968,12.963329166746734,13.5853654725299,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_59,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1143278843631146,0.7393958316472085,2.1146464392832733,4.119963827190311,6.060814650714399,7.352284058549744,8.03151216473519,8.348914741351052,8.467944870340862,3.4062876195573137,0.543476111350361,0.0046975920576735,12.233510155306922,5.464408698865513,7.4645320379982945,1.5910544849787984,0.935230095169022,2.0006374929965824,0.1309380725089114,1.9827346752403128,0.1832927943641068,7.29491192602334,-0.374150629920092,-0.8807228803597178,-0.1309380725089114,-1.4216552099913833,0.0916361436078689,-7.29491192602334,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.45720885851962,8.220176712984664,8.98377592434362,9.741534152855614,10.487061138921646,11.214549621543256,11.91911357850597,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_60,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1252953561946881,0.7710993843952804,2.098743392777548,3.983491274278424,5.840655080064387,7.098294680669207,7.765968507636046,8.079327676379785,8.1970551759244,3.31056098491041,0.5724457157277817,0.0056376858316224,11.351376015974653,5.068661884922372,6.799302567914061,1.5658369329864823,1.11833039560847,2.341429499010179,0.1068110107705353,1.9728184817727523,0.3236787712300261,7.727872193453058,0.0502202879031164,-0.0090023347210519,-0.1068110107705353,-0.8042677982611661,0.2489110636906514,-7.727872193453058,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.294037621154065,8.037045159315266,8.781884030354828,9.523227376157624,10.255382599882337,10.972817315817974,11.670595775293366,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_61,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1226329206564697,0.7699891101800643,2.141020837986944,4.104898057936382,6.010932517996182,7.285334602421683,7.957430501159357,8.27190589525403,8.389902429804145,3.406341779629823,0.5692520273353815,0.0053563602199368,11.879724628120684,5.461176442030958,6.940645036095975,1.6342807195620517,1.4205990399475843,3.021436446469954,0.1817833731614218,2.874866025238959,0.3143484459353304,10.73866266296636,-0.3972346916666346,-0.9788012073011784,-0.1817833731614218,-1.8515016769580093,0.1871000847223352,-10.73866266296636,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.34923356374984,8.090751521943428,8.837869538467864,9.583975664421155,10.32222971936016,11.046197481614657,11.750303054447654,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_62,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1057467073634819,0.7411180458780574,2.256151831569695,4.445150348080325,6.457328202922379,7.746944370374444,8.412356084991398,8.720613561002706,8.835797084513239,3.678657028974956,0.5353502646811846,0.0039038432114429,13.868002300373847,6.518431779560002,8.310028333281162,1.825460944404156,0.6792431578471445,1.492737015747813,0.1339196611960896,1.7506004474158616,0.0515978588333124,6.074609013157517,-0.6599534541137521,-1.4542347670959617,-0.1339196611960896,-1.7313107436824695,-0.0421459040039502,-6.074609013157517,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.574987923444031,8.35133640394897,9.119899705051017,9.87591235218766,10.614810840701008,11.33244292364432,12.025280860042844,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_63,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186713245927037,0.9177976364797172,2.2019617210637232,4.081808243406903,5.978086165423826,7.27424686813704,7.964885624540198,8.289499531175428,8.411526125468527,3.4033273667901205,0.7194675608538388,0.0234577004883916,11.780340656115614,5.822131002926146,6.968013667694777,1.7785133198732703,1.8882954204348124,4.146192769236971,0.3687620849946079,4.838392100391675,0.1508643775243811,16.81671880206622,-1.7993254295112675,-3.968608667353576,-0.3687620849946079,-4.749422109468132,-0.1072690819718441,-16.81671880206622,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.851459322621618,10.589525294796331,11.305903943719304,11.997500514590442,12.661671143023517,13.296399489610108,13.900352778398348,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_64,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2282177075899399,0.938683387312911,2.1564616733177004,3.925784683453301,5.778201506491333,7.072873461869419,7.769311784314599,8.09794006690664,8.221669139350162,3.279430193540416,0.7409721447991224,0.0241614252616118,11.06034290373736,5.356537839559652,6.588590464212381,1.6890403241180385,2.194720327557821,4.773006719208132,0.3836138931936337,5.263631473106891,0.2698237847967012,18.645879501661778,-1.6414186043785168,-3.66861647974224,-0.3836138931936337,-4.710329749927587,0.0012940595611578,-18.645879501661778,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.556647736642022,10.274743185669012,10.980658118963095,11.669434323986469,12.336653507459593,12.978725895752504,13.593000670652916,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_65,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2299791873287087,0.943842087075688,2.1759120792131386,3.9448483227831312,5.72995788340657,6.945137351333232,7.590312879278553,7.892972330260184,8.006648277115518,3.305835282608759,0.7451173226031421,0.0244307800496759,10.790399170098746,5.474173675543973,6.30572223599854,1.7313914930309078,2.146463403453351,4.657395780635247,0.3647530479705487,5.06448778721774,0.2857856669539896,18.02737797667773,-1.5010670762521356,-3.3691847115416222,-0.3647530479705487,-4.419091460016526,0.0304585333746058,-18.02737797667773,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.483079017403846,10.20847378295131,10.919161268498508,11.610921384840294,12.279921609315098,12.92301778968264,13.537883433874615,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_66,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2197598683461822,0.9226809647374054,2.2219660074358574,4.077319431487323,5.866624655474351,7.053181856034601,7.676065921151133,7.966889860622132,8.075913856125858,3.417623260767874,0.7228464900116567,0.0236056873729787,11.38226791198449,5.933539803888364,6.515452967704541,1.8132332899690708,1.8914426846731032,4.146720585090123,0.3631360108750916,4.796530771673837,0.164221292652128,16.719933640867346,-1.739917424077813,-3.844276164941924,-0.3631360108750916,-4.645005511078545,-0.0899739149604358,-16.719933640867346,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.80503255858518,10.543466574870298,11.259365288995914,11.95002860105336,12.61309562451484,13.24674537036366,13.849770340039234,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_67,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2275929243544339,0.9379029033256532,2.105883989357574,3.6164035306503455,5.1157747078091,6.157651186180465,6.719303723532975,6.984800369198083,7.084846497340176,3.0811076336410066,0.7404222219178458,0.0239018387570107,8.508390009253775,4.856840189667649,4.865290540559004,1.639075065285703,2.226025351337532,4.846318515562177,0.3941999240217277,5.379624743511354,0.2629325817097622,19.01412523712221,-1.7159738888797456,-3.8282557964964345,-0.3941999240217277,-4.869573281053567,-0.0130073651054469,-19.01412523712221,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.74686145010462,10.435161281309997,11.11902502345117,11.791277161714625,12.445885708158082,13.078117752225902,13.684524317966236,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_68,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2266323195276168,0.9360724038231394,2.1153430978987373,3.614192649221429,5.030897584590472,5.981798375708703,6.4857758337398135,6.722217586554674,6.811038383971463,3.0910610077387144,0.738273169643685,0.0239061397020459,8.34666886405142,4.894766705513962,4.805643688989453,1.670758590019845,2.1655811811220733,4.712183861250799,0.381011990820076,5.21367710768268,0.2610095980276561,18.448145722011887,-1.644538727078687,-3.6721831229801993,-0.381011990820076,-4.692634653639295,-0.0056987955463967,-18.448145722011887,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.997207805317686,10.634957439885335,11.281509060619696,11.926969758561242,12.56273552230864,13.181903090302988,13.779314674949172,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_69,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2264302380230524,0.9185507601824868,2.0914465559214084,3.780145373529381,5.4567700316786,6.579082517483864,7.169367314834816,7.445054847505871,7.548407555313351,3.1719746635382,0.7281410701270877,0.0239168753627478,9.67971913216554,5.1844817339373535,5.583027488423763,1.6317809063953794,2.157081174991961,4.694581106038572,0.3803894176098176,5.200196515870503,0.2581519987654438,18.39319422715616,-1.646813001106215,-3.6760858309626223,-0.3803894176098176,-4.689928341984756,-0.0081205935614281,-18.39319422715616,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.54651708035438,10.249946264603649,10.950495969509731,11.640183493534426,12.31218694031596,12.961154577177153,13.583221193303602,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_70,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1143395775852366,0.7394371348771489,2.114731930253169,4.119436839162481,6.059001250801743,7.349415151866968,8.02805133744343,8.345171049760921,8.464094225754573,3.406084634867766,0.5435073230481456,0.0046988408310574,12.225470409578596,5.463700641698673,7.459329583799338,1.5912220587411912,0.9366188520126318,2.0036880134442465,0.1312104353191692,1.9863023345659856,0.1834013233159341,7.307302966446544,-0.3754855011790605,-0.8836658451804383,-0.1312104353191692,-1.4251689837324144,0.0915540185925158,-7.307302966446544,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.452155929136807,8.215140798265166,8.9787662673397,9.736571389362068,10.48216955854571,11.209752667588193,11.91443153891759,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_71,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1253119661937368,0.7711530113602246,2.099013349552275,3.984459495081501,5.842270030586543,7.100240436308392,7.768055742135925,8.081473828778936,8.199222289058765,3.3112636456222817,0.5724894227367331,0.0056389602739838,11.357125783443747,5.071476959074126,6.801739511504458,1.5662929112398212,1.1171132239332853,2.338600679045586,0.1064205523043021,1.968477642367703,0.3239023198882753,7.713977165752469,0.0529077008902635,-0.0032389130977819,-0.1064205523043021,-0.7984567175441544,0.2494079332752639,-7.713977165752469,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.2911401842274195,8.034036763999996,8.778780713455621,9.52005348434068,10.25216578085966,10.969585015565654,11.667373130264656,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_72,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1226260464578703,0.7699566648744496,2.140983339244452,4.10497444560048,6.011052969725238,7.285415969113659,7.957469323851686,8.271919832384729,8.389906230776846,3.406377210995293,0.5692271577722979,0.0053559865087816,11.88151404730842,5.460981870049768,6.942207098381867,1.6341328801817,1.4230973430778708,3.027126662906732,0.1824713189050233,2.882867894318057,0.3141279284076077,10.76491309348982,-0.4016158459723626,-0.988249594684137,-0.1824713189050233,-1.8613863972125493,0.1863980051740915,-10.76491309348982,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.353822207986044,8.095459518989228,8.842633214980083,9.588749645735207,10.326979347803212,11.050895005444168,11.754925832791283,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_73,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1057453070585068,0.7411016415430935,2.2561044781748643,4.445101314341702,6.45700768985973,7.746247989817112,8.411403914103452,8.719529145008128,8.834661071267014,3.67862633970577,0.535340458828951,0.0039038496505253,13.86981375185753,6.518490090379153,8.310476052293437,1.8253638497562508,0.6790491312818868,1.4922592348032502,0.1338311713056867,1.7496985017273807,0.0516886145861823,6.071869082523171,-0.6592625817749808,-1.4527652819874657,-0.1338311713056867,-1.729911952220475,-0.0419932053277983,-6.071869082523171,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.578469958204823,8.35458053436216,9.122941201552727,9.878776722886414,10.617517323685702,11.335006480152613,12.027713429000393,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_74,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186724431977584,0.9178132396501908,2.202368622996158,4.082829813716093,5.978983280630223,7.274700985344881,7.965014893955469,8.289458178003402,8.411417900739357,3.404204423959944,0.7194712239294458,0.0234586817422091,11.786420769882952,5.826567749126472,6.969834352419028,1.779193749311487,1.8868274032959484,4.143085789743731,0.3685892025157593,4.835541023422023,0.1505081023319202,16.80592106679493,-1.7990646218616442,-3.96791127800086,-0.3685892025157593,-4.747778241987719,-0.107504339429111,-16.80592106679493,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.858398881131263,10.59626726262173,11.312512735550309,12.00399060948331,12.66803180516475,13.30261012612487,13.90639154963466,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_75,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2282217484110846,0.9386813112477584,2.1564184858629147,3.925479417294281,5.77708707665042,7.070908039567365,7.766810333193048,8.09516900618674,8.218793967792823,3.279274421842612,0.7409744524478893,0.0241619150359058,11.060026796255244,5.358307675518283,6.586254327506831,1.6891065301571,2.195505305247776,4.774781425508911,0.3838171577245395,5.266042567044091,0.2697815683498771,18.653869680729667,-1.6426662719976193,-3.671314715141598,-0.3838171577245395,-4.713203533793934,0.0011095579426997,-18.653869680729667,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.565082969558691,10.281757280366133,10.9865924235022,11.67453205769008,12.341091529200153,12.98263505466626,13.59647927546724,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_76,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2299831582145743,0.9438478353171552,2.1759863445307164,3.944365037789775,5.728186344602997,6.942259907542865,7.58679759605134,7.889147814583577,8.002706095070577,3.3056611138532577,0.7451186190027332,0.0244330132133925,10.78737605246276,5.4739621749327485,6.303197491045436,1.7315123946844335,2.153135498853924,4.672234304841302,0.3662402216833565,5.083057272320777,0.285931928903374,18.09048192793675,-1.5092667179796413,-3.3870722182162334,-0.3662402216833565,-4.439188491446493,0.0295637737250246,-18.09048192793675,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.46900139234679,10.19482149733631,10.906009260373994,11.598305832882248,12.26785612065742,12.91150223222296,13.526908992884753,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_77,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2197789521646091,0.9227016522685664,2.221793120234985,4.075728775673175,5.863132748612102,7.0484051243029056,7.670631312693061,7.961153571735485,8.07006545341181,3.416649655627497,0.7228647256464762,0.0236133065388194,11.37287163719561,5.931397402456486,6.509691892342813,1.812846493287105,1.8929010888148945,4.149906736288702,0.3634050637629289,4.800141598918326,0.1643708996171471,16.73260671933305,-1.7411495488143958,-3.847010662447708,-0.3634050637629289,-4.648390058917827,-0.0900126450169029,-16.73260671933305,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.811074961389815,10.549494009244224,11.265390689177458,11.9560252932464,12.61902120670826,13.252555883870247,13.855427454467446,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_78,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2275987256845469,0.9379679773686984,2.106370580577337,3.6180679748398994,5.118969931113038,6.162046812447229,6.7243816308769855,6.990208152557007,7.090379727256623,3.0823012865845767,0.7404667953791443,0.0238972677622086,8.516431228729576,4.8625707891217695,4.867499700450976,1.6397888510001366,2.22638023082759,4.84711377563784,0.3942849103464831,5.380659513599455,0.2629280013779048,19.017599361067614,-1.7164688726372406,-3.8293307046899008,-0.3942849103464831,-4.870748155409105,-0.013071435864633,-19.017599361067614,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.737250021475552,10.426662135393023,11.111396900073196,11.784352526873388,12.439544643084815,13.072271827744917,13.679106410281578,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_79,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2266492919876325,0.9361536374679852,2.116136729676398,3.616791783356759,5.035558540895321,5.987932417720274,6.492710462329271,6.72953183903937,6.818495865829592,3.0929649403387383,0.7383214678370587,0.0239101487978222,8.357066724697177,4.903788424304786,4.807536684325692,1.6719452080639523,2.1649640950789144,4.71081162106402,0.3808745818046332,5.211960749515979,0.2609957847989384,18.44231211148724,-1.6437817229674172,-3.670531606329472,-0.3808745818046332,-4.690778377404482,-0.0056164224643045,-18.44231211148724,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.980505357231843,10.619619920263158,11.267290528969852,11.913704362591057,12.550306254908516,13.170223290670572,13.768316893487224,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_80,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2264231509830762,0.9186060375064364,2.092191747977378,3.783374942476272,5.463029692067829,6.587432590078625,7.178817660279894,7.455018064714591,7.558562817161005,3.174193797953426,0.7281719787452491,0.0239081755778843,9.701137212348849,5.193083278764461,5.594267081950622,1.6328829594677954,2.155841634337121,4.69184746823135,0.3801356780617697,5.196927058831279,0.2580774768954728,18.381921732921,-1.645515146280576,-3.673235798070485,-0.3801356780617697,-4.686600570774734,-0.0080174977477656,-18.381921732921,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.54526685736646,10.24861377487615,10.949102372962676,11.638754504028894,12.31074620537443,12.959721438093846,13.581810392381753,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_81,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1143461962267563,0.7394634251084313,2.115086387504935,4.121064030793184,6.06203697448217,7.353325937978439,8.032393942974133,8.349708575531581,8.468703729194107,3.4072036094633567,0.5435262541862901,0.0046992685548554,12.23893499268162,5.468568049346046,7.465995769034313,1.5917176051290045,0.9386555802661044,2.008082818605052,0.1315325984531145,1.99091636789102,0.1837227775788507,7.323929870392813,-0.3766704042650405,-0.8863604073069281,-0.1315325984531145,-1.4289311918899563,0.0916499586616707,-7.323929870392813,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.455984553638832,8.21840980796311,8.981559904710995,9.738964576823584,10.484226986092184,11.211529105247635,11.915972774052705,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_82,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1253241632775601,0.771174101399963,2.0990601306291268,3.984545235294518,5.842354640424365,7.100331234384065,7.768156325199885,8.081580845950716,8.199332041701664,3.311343002291736,0.5725107754306438,0.0056401879661916,11.359190434871518,5.071954673948139,6.802725872448595,1.5663310822271097,1.1182582426698116,2.341056304625358,0.1065869336466166,1.9709537118427447,0.3241139782503129,7.723029886281393,0.0523889062036452,-0.0044445954739375,-0.1065869336466166,-0.8003065629692878,0.2495031246976813,-7.723029886281393,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.302918713546799,8.044531453424593,8.788144599377775,9.528423656961325,10.259663908651742,10.9763183330021,11.673435632903622,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_83,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.122643070272387,0.7700523185369963,2.1414710251166893,4.106478138966848,6.013576720806832,7.28853840890831,7.960874153287999,8.275448682642857,8.393480281357453,3.407494623476258,0.5692965081257652,0.0053563880876197,11.890822891003545,5.466150401692721,6.946035933683902,1.6351242784923343,1.425181324766356,3.0317547831247604,0.1829293860642904,2.88861641328068,0.3141871384005045,10.784494345117588,-0.4041125358765481,-0.9937014805007032,-0.1829293860642904,-1.867547624390871,0.1861365681555014,-10.784494345117588,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.359786362955983,8.100407665757809,8.84674491290784,9.592179799360336,10.329856787082475,11.053324626471037,11.756992016574728,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_84,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.105751215560981,0.7411662309827131,2.2565477244332377,4.4466929985495645,6.459909802337789,7.74998976986998,8.415565615121876,8.723881364374545,8.839083776495857,3.679758986132133,0.5353810824496514,0.0039037191418631,13.879066385614196,6.523711107173338,8.314715209229876,1.8260975127791708,0.6797025581692833,1.493665455444093,0.1339308824535602,1.7511496177977646,0.0517994003504724,6.077130439917619,-0.6596062663663183,-1.4535532570053744,-0.1339308824535602,-1.731053325994799,-0.0419522173670195,-6.077130439917619,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.581570235349658,8.356974472210771,9.124741576710091,9.88008264180263,10.61841478703488,11.335569247534735,12.028004100222152,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_85,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186659052998153,0.9177505086305392,2.201807796797935,4.081275358233244,5.976885879286976,7.272520924491378,7.962871843726645,8.287349914612813,8.40932543562336,3.4029735126113305,0.7194343732554261,0.0234592044811041,11.778651782689233,5.821491268453625,6.966889061612571,1.7785199857060725,1.886836782566065,4.143220071554017,0.3687021916697477,4.836454315924048,0.1502754209509016,16.80822774622528,-1.800185134131412,-3.970263381278449,-0.3687021916697477,-4.749802667489393,-0.1078161132179214,-16.80822774622528,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.86095576748188,10.597816969836842,11.313219022601109,12.004013750305983,12.667517394299738,13.301683936503323,13.905158460990078,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_86,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2281670931313791,0.9386327904123104,2.156280664719187,3.924803931941995,5.775969145723519,7.069658552834782,7.765546679315012,8.093911239350104,8.217540407302096,3.278808236620592,0.7409201821625181,0.0241430145751921,11.05529791537129,5.354857062143156,6.585542237863369,1.688792561284357,2.1937227951620057,4.770816951738039,0.3834196219979996,5.261079771146003,0.2697429634335836,18.63700641577002,-1.64047342481799,-3.666531208531382,-0.3834196219979996,-4.707830400801987,0.0013492280349842,-18.63700641577002,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.563820325242103,10.280776035190568,10.985776658574766,11.673812024973817,12.340426109473604,12.98200069727458,13.595863083903415,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_87,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2299529887909091,0.9438149100290818,2.176145739939018,3.94537418824986,5.730092390810171,6.944636196749758,7.589371043551566,7.891801430245637,8.005387827188342,3.306325274202276,0.7450806528756582,0.0244253830128874,10.792213731588488,5.4769126487109805,6.305365950973018,1.7319270879668822,2.154178120636168,4.67450462424572,0.3664252566153629,5.085580173559072,0.28605424021946,18.099395735488105,-1.5100744455174615,-3.388873688708782,-0.3664252566153629,-4.441476498440365,0.0295565605887062,-18.099395735488105,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.481025164600984,10.20611296063912,10.916632337444952,11.608309967132636,12.277282473056449,12.920387152905942,13.535285867482656,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_88,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2198363297336603,0.9227940383157632,2.22239853641083,4.077821826935027,5.866778614741042,7.05301971250126,7.675728364241482,7.9664695975630195,8.075462541316341,3.4181717150778805,0.7229397302748324,0.0236326596600869,11.384441256141606,5.938035218817526,6.51454552846478,1.8138442344027768,1.893787909554982,4.151795419174452,0.3635210134368848,4.801956017050061,0.1645619474644829,16.739359816512607,-1.7414222248138662,-3.8476735124311854,-0.3635210134368848,-4.649590332308946,-0.0899027619413361,-16.739359816512607,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.82535833239735,10.561679522614202,11.27574759114834,11.964811756870231,12.626473828319517,13.258884242774243,13.86081273695705,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_89,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2276277112606703,0.9379502140383342,2.106104466747432,3.6182499653941935,5.120859399618766,6.16555843564847,6.728858143174776,6.995157432201636,7.095509589652578,3.082154165914244,0.7404697295199135,0.023911159037943,8.521156837428167,4.860635577847703,4.872290486063104,1.6394115134614895,2.2268884838479064,4.84813440964579,0.3942909342224655,5.381215957627632,0.2631643952182965,19.02026110368884,-1.7160208583767484,-3.8284426292053593,-0.3942909342224655,-4.870348332156474,-0.012839258737429,-19.02026110368884,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.745302326274462,10.434188432729425,11.11855607959004,11.791226926832218,12.446173556948676,13.078671666478844,13.68528246496428,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_90,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2266590890699888,0.9361470103302632,2.116279481211901,3.6181788302672966,5.038937068985868,5.992815324730882,6.498409797590677,6.735615990692862,6.824724710363545,3.093777711177554,0.7383189046008788,0.0239158295624939,8.367347755973599,4.905394331506652,4.81532556615783,1.672036834809307,2.1644302348051743,4.709627983533887,0.3807591564616895,5.210503486498691,0.2609765864849873,18.43733430325966,-1.643161329811721,-3.669175249166953,-0.3807591564616895,-4.689234581505238,-0.005554823038195,-18.43733430325966,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.99659487960412,10.634409945850392,11.281008736288918,11.926503286419662,12.562293432496102,13.181478904938997,13.778904174522363,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_91,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2263174051920214,0.918454258076078,2.092253313572736,3.783389463315556,5.462092441154739,6.585479468958446,7.176239214194337,7.452129355409357,7.555555028453439,3.174335895156191,0.7280168571043889,0.0238821121894156,9.696729623637545,5.193987746185041,5.5902885488608085,1.6329261205064445,2.156971772344555,4.694413611784234,0.3804391589273164,5.200485043763086,0.2579939347014672,18.393642040269103,-1.6474198169286096,-3.677347908774007,-0.3804391589273164,-4.6909330883471405,-0.0083134765476539,-18.393642040269103,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.548526521099708,10.252082357651604,10.952708030465034,11.6424313997987,12.314439033489466,12.963386286154572,13.585413912956907,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_92,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1143337328107984,0.7394054432550017,2.114626255049835,4.119929684053933,6.06077448624734,7.352237550430344,8.031461294017536,8.348861588125123,8.467890821648144,3.406256074449808,0.5434884034854793,0.0046977013455403,12.233402074713856,5.464323252433788,7.464543618715371,1.5910334131297843,0.935342898462626,2.000879693003613,0.1309547378389956,1.982980801174591,0.1833130707847958,7.295809249093042,-0.3742044799273307,-0.8808474096071631,-0.1309547378389956,-1.421842382639296,0.091644754297499,-7.295809249093042,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.457226232256092,8.220196906262048,8.983799062435326,9.741560157391396,10.487089778028505,11.21458056353357,11.919146439267031,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_93,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1253087459474767,0.7711375557723419,2.098771246251611,3.983489451918116,5.840641240690199,7.0982823802282144,7.765959583381092,8.07932086977662,8.197049247245545,3.310568265408321,0.5724805655308326,0.0056384560531734,11.351360454284093,5.068678324366862,6.799356346087507,1.5659288516889642,1.1181878864786676,2.341113686441296,0.1067803443915232,1.972430641610854,0.3236733411523483,7.726546320223804,0.0503844425634348,-0.0086433176732582,-0.1067803443915232,-0.8038583125687513,0.2489271000782821,-7.726546320223804,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.294063013031315,8.037067908435704,8.781905007565781,9.523247268568884,10.255401900992595,10.9728363502022,11.67061473425798,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_94,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1226446536795706,0.7700251777492919,2.141103929174498,4.105037821260834,6.011100042006877,7.285508952989204,7.957605569086082,8.272080714561993,8.390077066560902,3.4064647110904995,0.5692818039228293,0.0053574912287969,11.880553513687996,5.4615586856901945,6.941161965921857,1.6343910579042389,1.4206460120092366,3.021537037106365,0.1817900554733553,2.87496645579608,0.3143574293904798,10.73903116951329,-0.3972545427243165,-0.9788476644136644,-0.1817900554733553,-1.851574986511159,0.1871043905591313,-10.73903116951329,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.349422156836182,8.090915464979732,8.838012639148754,9.584101268180325,10.322340664776984,11.046296128483002,11.750391342175137,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_95,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1057631629802866,0.7411866192333039,2.256290865075488,4.445324891202741,6.457514880688467,7.747136795849388,8.412551486966075,8.720810383561272,8.835994446681108,3.6788236672102816,0.535404122397947,0.0039050712471992,13.868795097417602,6.51905203373325,8.310444172624933,1.8256852516378423,0.6793311246680175,1.4929317074487574,0.1339383458596293,1.7508378915450522,0.0516017247821069,6.075422540532674,-0.6600523339282758,-1.454451241132233,-0.1339383458596293,-1.7315591008053106,-0.0421551173196335,-6.075422540532674,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.574945145245677,8.351287575556135,9.119846622257004,9.875856419028176,10.61475316976397,11.332384400656464,12.025222187607367,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_96,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186949253176673,0.9178497075340608,2.202037276536522,4.081874354027992,5.9781355780334735,7.274289573216831,7.9649266347492835,8.289540186651585,8.411566718991367,3.403399611407742,0.7195133652779306,0.0234623845975058,11.780635569846469,5.8224017089755735,6.968204414103333,1.77865129860467,1.8882669565157897,4.146135069131172,0.3687612185905358,4.838356705240075,0.1508522496526116,16.81655915438966,-1.7993452293895682,-3.9686473017872346,-0.3687612185905358,-4.749434978113854,-0.1072806033607631,-16.81655915438966,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.851488300620591,10.58956862062742,11.305959520933245,11.997566086907488,12.661744517941374,13.296478666481129,13.90043600814056,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_97,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2282437048671142,0.9387669691296556,2.156564952521644,3.925847488944687,5.778230675071169,7.072893030531712,7.769330505055326,8.097959341080617,8.221688772721956,3.279509257616432,0.7410438550587809,0.0241627964377263,11.060436346646808,5.356769915870139,6.588618300246134,1.6891736900607253,2.1946508831520632,4.772862775295164,0.3836086789898355,5.263520315070748,0.2698007068658565,18.645427995557032,-1.6414359067462914,-3.668645682389242,-0.3836086789898355,-4.710305338664976,0.0012746315729719,-18.645427995557032,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.556687471356469,10.274755655365064,10.980648783088098,11.669407649429298,12.336613208489526,12.978675073272491,13.592941905900547,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_98,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2298875507106713,0.9437196293484816,2.175862345836238,3.9448824101352047,5.730042397833834,6.9452461246119634,7.59043243154939,7.893096541183118,8.00677417866642,3.305844325428112,0.7449910812300083,0.0244069598820527,10.79103826164986,5.474111397308668,6.306205543403495,1.7312989842271491,2.146569635651646,4.657628074633263,0.3647728517663745,5.064752449782642,0.2857961327599199,18.02830521358572,-1.5011588820120991,-3.369388210368728,-0.3647728517663745,-4.419341696143095,0.0304551365234579,-18.02830521358572,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.48314310622358,10.208512173791595,10.919179695973462,11.610924350071627,12.27991268267034,12.922999815747056,13.537858680297552,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_99,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2198191720393245,0.9227941860593512,2.222092272965504,4.077466937380644,5.866802049258988,7.053381766200197,7.676278143262372,7.967107912338823,8.076134104304913,3.41776175666776,0.7229529961518614,0.0236170800775004,11.382976369145323,5.9340838827036135,6.515744352724255,1.8134415625355549,1.8914725166992743,4.146786460761267,0.3631422009362061,4.7966101241889225,0.1642229112166116,16.720206602220493,-1.7399494926627863,-3.8443465047844354,-0.3631422009362061,-4.645087100152435,-0.0899766294387323,-16.720206602220493,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.805094012372129,10.543536215348698,11.259441250971468,11.950109088361604,12.61317902683325,13.246830314377757,13.849855697614142,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_100,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2276039539428146,0.9379393823085084,2.105932447631936,3.616421833755454,5.115747287590818,6.157592599726314,6.719229199168252,6.984718545866048,7.084761963253937,3.08114024428093,0.7404530339342061,0.0239027039887256,8.50831325169286,4.856920640725045,4.865246085522189,1.639131108175223,2.2259346413199386,4.846116311455445,0.3941792477031249,5.379368622944939,0.2629315540702074,19.01325816066219,-1.7158578357113108,-3.828003007460624,-0.3941792477031249,-4.869291817336311,-0.0129939193219797,-19.01325816066219,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.746959394619934,10.435252914390484,11.119110782281416,11.791357316973311,12.445960484144402,13.078187381128432,13.684589057427136,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_101,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2266936492728301,0.9361488880527776,2.115402307429596,3.6142126289555234,5.0308840116993165,5.981764929404008,6.48573246176141,6.722169671602972,6.810988779042458,3.091094721993628,0.7383494939081556,0.0239260590419746,8.34647818514016,4.894949238349058,4.805439119851522,1.6708903444039724,2.1653704133116065,4.711721915387333,0.3809716555373365,5.213143657610298,0.2609910258942805,18.44628517730476,-1.644346142061758,-3.6717574699726354,-0.3809716555373365,-4.69211938636045,-0.0056891329818547,-18.44628517730476,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.99723391840035,10.634981906185482,11.281533335043765,11.926994654703863,12.56276141439442,13.181930067103188,13.77934265223644,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_102,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2263621936895775,0.9184910282295776,2.0914383954774247,3.7801800829627465,5.456825299720111,6.579145439386264,7.169432976361618,7.44512154181294,7.548474599862545,3.171997533297388,0.7280735859017126,0.023893468130236,9.68004530147049,5.184434992600395,5.583224550825906,1.6316933158639924,2.1568808577038068,4.694141902813161,0.3803509238104363,5.1996882481872975,0.2581346802729489,18.39142276472776,-1.646628380400557,-3.675677958115874,-0.3803509238104363,-4.689435770884048,-0.0081109663943563,-18.39142276472776,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.54661746242482,10.250041128162469,10.950585152321604,11.640266947202566,12.312264740301442,12.961226904340306,13.58328830590574,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_103,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1143496606916162,0.7394663031183714,2.114756638221273,4.119437701230431,6.058965154613278,7.349348193983864,8.027966534803765,8.345077574129238,8.463997446114321,3.4060956948894825,0.5435338778165649,0.0046994095245258,12.225376491706175,5.463728244650778,7.459304349516813,1.5912618344996543,0.9368189516123948,2.004129047299093,0.1312511438468001,1.9868281023867955,0.1834138842117933,7.309117634997975,-0.375692486855606,-0.8841206236445424,-0.1312511438468001,-1.4257016376300062,0.0915380835190333,-7.309117634997975,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.452214958325446,8.215194618774817,8.978815389655798,9.73661621302606,10.48221043154012,11.209789914919208,11.91446547252032,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_104,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1253276868498591,0.7711942235342912,2.099068590738293,3.984511852981064,5.842304544288555,7.100258985032221,7.768065148987569,8.081478837895181,8.199225631492997,3.3113194412720777,0.5725260845345478,0.0056403858263271,11.357353228253356,5.0715862884700265,6.801937193337908,1.566392646703127,1.1170055669240846,2.3383511652503537,0.1063866925474995,1.9680991073040817,0.3239206734430525,7.712761685570414,0.0531386414490886,-0.0027433253374994,-0.1063866925474995,-0.7979548989309079,0.2494499886598027,-7.712761685570414,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.291156866278508,8.034057186716364,8.778803556693488,9.520077728569616,10.25219064569846,10.969609917369391,11.667397646091436,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_105,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1226307863298253,0.7699794601861574,2.1410244589410508,4.105012398803472,6.011086298474826,7.285448098727413,7.957501401222498,8.271952009080508,8.389938463968628,3.406417302601564,0.5692445597019955,0.0053563980522981,11.88176741843886,5.461023230752111,6.942485233278858,1.6342006210939268,1.4230770233157244,3.0270776346010537,0.1824630373331651,2.8827813219810454,0.3141353630250582,10.764645863241926,-0.4015533500159269,-0.988116382694658,-0.1824630373331651,-1.861257648681248,0.1864112368918427,-10.764645863241926,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.353947681189768,8.095573729337108,8.842737182829113,9.588844441354633,10.327065987779571,11.050974411356869,11.75499882035484,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_106,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1057530144860467,0.7411291470154452,2.256136467706228,4.445120365017794,6.457020276004775,7.746259026093394,8.411414651805622,8.719539827271737,8.83467174406383,3.6786495331115328,0.5353634993945683,0.0039044320476828,13.869921782756055,6.518497537015988,8.310658166872596,1.8254234618191736,0.6790611433265648,1.4922849732749932,0.1338328945159858,1.7497242994544513,0.0516908817464464,6.07196360695254,-0.6592678018332933,-1.4527774636544228,-0.1338328945159858,-1.7299309579611797,-0.0419921444147434,-6.07196360695254,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,7.578464498332598,8.354574896657878,9.122936375752502,9.87877332002626,10.617515662026186,11.335006664637255,12.02771541964112,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_107,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187011052779263,0.9178837054953324,2.2024251690533383,4.082858033272408,5.979017529828143,7.274753796225438,7.965080952180038,8.289531120788714,8.411493530436115,3.4042388147638025,0.7195363872019864,0.0234611091774013,11.786497436932558,5.826653206254848,6.969933046628799,1.7792724535853055,1.886801691970072,4.143030816499171,0.3685856303794704,4.835486735005835,0.1505030052684472,16.80572106743977,-1.7990546118246324,-3.967887644528873,-0.3685856303794704,-4.747739654860395,-0.1075069359971818,-16.80572106743977,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.858490356095738,10.596337726155095,11.312565938308795,12.004029650589809,12.668059249600566,13.302628101932616,13.906401825451368,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_108,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.228156780008101,0.9386414836978112,2.156462176876326,3.9255636617563487,5.777197715531678,7.071043481408848,7.766961750668802,8.09532858215297,8.218956715600182,3.2793490586653995,0.7409199630001801,0.0241396549948859,11.060529311970004,5.35843461977848,6.586555888280796,1.689132031664421,2.195461841495878,4.774699950141762,0.383822318545884,5.266040389862951,0.2697494333866239,18.65375557839707,-1.642761343962962,-3.671509757066061,-0.383822318545884,-4.713339892330034,0.0010738104045053,-18.65375557839707,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.565050718874962,10.28174081932162,10.98658904514865,11.674539296339926,12.341107220895088,12.982657347535014,13.596506613280445,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_109,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2299646818832194,0.9438276921123476,2.176000600579023,3.944435975304759,5.728301819708604,6.942399301076309,7.586947977181373,7.889302986440421,8.002863009459226,3.3057128762389483,0.7450961819756091,0.0244277069388879,10.787810536342027,5.47410225287816,6.303409671381291,1.7315282060958408,2.1530668167641926,4.6720803812889535,0.366223762199954,5.082856914363824,0.2859328395945509,18.08980932782004,-1.509170805235347,-3.386863942277378,-0.366223762199954,-4.438960902834979,0.0295762060545833,-18.08980932782004,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.468978201369024,10.194807561698973,10.9060027741033,11.59830523191322,12.267860093470656,12.911509701180188,13.526919084502302,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_110,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2197864926552615,0.9227281276434997,2.2218478326403583,4.07580623140593,5.863224951534862,7.048506479519452,7.670737495368463,7.961262024995269,8.070174761080814,3.4167205708819366,0.7228862257775541,0.0236138887801235,11.37322282336637,5.931626734717468,6.50986703232052,1.8129451859509345,1.8929372089731664,4.149984824690634,0.3634109229733211,4.800224592759736,0.164376294152877,16.732904504332257,-1.7411720207600452,-3.847061509017244,-0.3634109229733211,-4.648459404546613,-0.0900113519284475,-16.732904504332257,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1877,9.811257479565386,10.549650756524509,11.26552585832894,11.9561423103304,12.619122888319184,13.252644562179812,13.85550507325818,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_111,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0983968576797148,0.5824645521169468,1.7677703970336311,3.761212657671119,5.79152749172576,7.153830705452946,7.870304755998057,8.204876687453153,8.330294596903936,3.0310491536584725,0.4301437699294375,0.0049855681443125,11.862478567744256,4.124130206364476,7.400467553684051,0.9560252268591568,4.425763833079825,9.716547014774852,0.4580808636614411,4.158474365991189,0.5775446442992613,18.73010986171261,0.6626244187062702,1.7414162634845525,0.0044998865009311,-4.158474365991189,-0.5775446442992613,0.5868707752922135,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,11.277182564864525,12.05199442152038,12.792665940553483,13.498416346731254,14.16835025166673,14.801830347012636,15.398663318024996,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_112,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1009976879732322,0.5996560138735143,1.695736913774106,3.2494629111552125,4.689815809616702,5.621334161916546,6.104446923995116,6.328799733955562,6.41271833226901,2.704668232739432,0.4438686171884026,0.0051924193951105,9.07103734040376,3.3534527387124555,5.672807152475951,0.8233302625540795,4.677619396543132,10.088792718301782,0.7355238793086263,10.56181043101214,0.7474333577580192,30.74333577580192,-4.677619396543132,-10.088792718301782,-0.7355238793086263,-10.56181043101214,-0.7474333577580192,-28.098574568888186,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1877,11.904254661690324,12.629380297787415,13.32411872806326,13.987055077393608,14.617180096919004,15.213873773350434,15.776936963286628,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_113,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0978894052816111,0.6256866530340414,1.9796103238309848,4.082542719050492,6.087375598314516,7.401067244689331,8.087143150863126,8.406811878438296,8.526553137673895,3.334895892528046,0.4536536399233385,0.0048003576758483,11.95089453484978,5.295818987840867,6.794414523307462,1.226087417727011,5.3280259168735125,11.825423459507483,0.541436519246797,3.6135242046402056,0.5063569902565183,19.78468369541406,2.496201439395253,5.793065007329118,0.1698568767776362,-3.6135242046402056,-0.5063569902565183,4.921497996647629,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,9.32261506483683,10.1896528904822,11.032155614647698,11.845701116564571,12.625709403067848,13.368369070232708,14.0710445242332,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_114,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0960685189128649,0.5738984768439096,1.775809171274609,3.763677652621933,5.731974914852608,7.032858291646635,7.712635939798249,8.029226162885406,8.147777326029447,3.0432807551284298,0.422293508669522,0.0047882623185093,11.316697106822495,4.246138981420845,6.562895635891289,0.7757464491330804,3.7339368038300607,8.05402719059699,0.5830111522688841,8.35237813239534,0.598001951778346,24.407157177679743,-3.674863064366093,-7.921005749623021,-0.5776408123176144,-8.35237813239534,-0.598001951778346,-22.0189214057802,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,10.658168301810784,11.493673781690235,12.30151810897248,13.076967786558592,13.815713540380536,14.514583675485264,15.1717443189956,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_115,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0948000921595204,0.5517668105591912,1.62278344112605,3.439996412638283,5.382040259920879,6.735316557966804,7.461161336183052,7.803162713497134,7.931845728427238,2.7652901243449524,0.4103696622670276,0.0046800556904467,10.624737622857513,3.148332734040803,6.668821399685068,0.5308999615834955,3.1010134888665006,6.630456795542958,0.4310237707433041,6.549203654812934,0.6143466909836468,19.815305151765543,-3.1010134888665006,-6.630456795542958,-0.4310237707433041,-6.549203654812934,-0.6143466909836468,-14.666596507698785,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1877,10.68541520708475,11.50894317220714,12.30689499836363,13.073341211174018,13.803612818983948,14.49454465234614,15.144424162742087,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_116,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0981697884343903,0.6320071976339485,1.9619681655809107,4.043893642324471,6.094601851365936,7.460264166228616,8.177713266653186,8.512733525102316,8.638328522291825,3.294652063386778,0.4582293905422526,0.0048199438480514,12.642470707900989,5.037351395003246,7.66902547286556,1.309377949434689,4.577669813132744,10.100070032824636,0.4282517691813192,3.019726711707491,0.5462963323741444,17.05636526964071,1.8721572225888885,4.42356253402648,0.1580961431570108,-3.019726711707491,-0.5462963323741444,6.250140228668372,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,10.663583709366154,11.44323950046773,12.196647834229497,12.920999786131866,13.613514345500018,14.271985946925533,14.895002070181375,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_117,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0983706466343311,0.5823379852979306,1.7670274694209132,3.75916710560652,5.788406034324451,7.150155655045103,7.866388253922352,8.200858445583313,8.326239967636345,3.0294636203637944,0.4300569052076188,0.0049831610834964,11.851006768419795,4.118034223205604,7.395813994543139,0.9551470768122712,4.4200900781418495,9.703779858900248,0.4573068995577058,4.152786243207324,0.5773782041949364,18.706537822570542,0.6603039624884927,1.736182163690603,0.0045471041359616,-4.152786243207324,-0.5773782041949364,0.5961460057007749,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,11.26826080582534,12.04319351730651,12.784125368521332,13.490218230619703,14.16053828081767,14.794422817555423,15.391662044357464,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_118,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1009511165320256,0.5995391223933267,1.6957336805816925,3.2493029604429893,4.688764254885556,5.619345112517333,6.1018749935142935,6.325936682423685,6.409743207432372,2.7046521977913875,0.4437597941591927,0.0051875570424968,9.067381348805752,3.354124575657571,5.668952648433384,0.8230008484684326,4.682519964723617,10.099576673412484,0.7365039929447234,10.574551908281402,0.7477763975306531,30.77763975306532,-4.682519964723617,-10.099576673412484,-0.7365039929447234,-10.574551908281402,-0.7477763975306531,-28.142679682512547,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1877,11.920840850257148,12.645338960583944,13.339460083158388,14.00176663825398,14.631246987600186,15.227287392607916,15.789697626655215,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_119,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.097889353741558,0.62554886303688,1.9789018484324643,4.081028845243915,6.085216937578707,7.398543643079795,8.08444424169519,8.404034468282035,8.52374681268509,3.333652877225484,0.453577012293257,0.0048009805938476,11.9428709657138,5.290438674448141,6.791077120640191,1.2253280173521877,5.320220066755353,11.808226809058963,0.5404653361910722,3.603861631406077,0.5055176467284148,19.747942001082432,2.496355506615988,5.793031477391708,0.1701324432063223,-3.603861631406077,-0.5055176467284148,4.934626281692439,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,9.3129274649238,10.181241233177987,11.024870534756973,11.839389288939818,12.62022865253777,13.3635939964532,14.06686748315476,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_120,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0960756232252714,0.5738742567094464,1.775306178118116,3.76211708609044,5.729641805530405,7.030199508950035,7.709858399030002,8.026404166721143,8.14494036486123,3.0420861996509343,0.4222919548560055,0.0047890895624985,11.307456492117728,4.240993465268076,6.559360766294913,0.7756566045899775,3.733248665956385,8.052626976322088,0.5827166583100561,8.34672830237629,0.5978662830578235,24.39548342834785,-3.670802791760386,-7.912012208342186,-0.5770397606558745,-8.34672830237629,-0.5978662830578235,-21.994773330289377,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,10.675809054743006,11.509889523731824,12.316525164415715,13.09090957213968,13.828693433474967,14.526683097816992,15.183032318553314,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_121,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0948152266358626,0.5517935407279002,1.6227710754941975,3.4399046499216115,5.381725528283434,6.734751652013836,7.4604341075851694,7.802352830840608,7.931003771880707,2.7652377734248668,0.4103982284886378,0.0046814332806742,10.621475251959955,3.147609783975955,6.667559571828456,0.5309269864306664,3.1028067591702087,6.634487270259052,0.4314648392147867,6.554525472888502,0.6142991496423502,19.828682187998904,-3.1028067591702087,-6.634487270259052,-0.4314648392147867,-6.554525472888502,-0.6142991496423502,-14.688504949184022,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1877,10.668931940330223,11.493762022240618,12.29286826165814,13.06034723276698,13.79154973179736,14.483325537609227,15.13397353238178,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_122,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0981716048011073,0.632009856899947,1.96197839693153,4.043832165473745,6.094534511153696,7.460280452149104,8.177804339285913,8.512866780169986,8.638478771537192,3.294618962056527,0.4582310700727131,0.0048201686593562,12.642138300855535,5.03676548896117,7.669536213615243,1.3094554948617014,4.571316326995011,10.085940859676418,0.4272639285447246,3.0096214789139566,0.545921746053417,17.023143477061097,1.8731388542787968,4.425595438581653,0.1585956333892578,-3.0096214789139566,-0.545921746053417,6.2764116708424265,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,10.613652521811352,11.39876618000855,12.156849382647271,12.88522150747814,13.581209980238652,14.242698817726977,14.868348837035905,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_123,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0984012664712848,0.5824083116699823,1.7670841773659391,3.758728819308726,5.7868253976478,7.147542060471869,7.863163601479276,8.197334319186178,8.322601390246218,3.0292879391076832,0.4301220868074696,0.0049861953203954,11.845879615551198,4.117700053107814,7.392100438795519,0.9550949645267388,4.42246150109691,9.709126648999383,0.4576174992590093,4.15483495699372,0.5774387409855238,18.715803347071905,0.6615657836004919,1.7390166630374344,0.0045667993498453,-4.15483495699372,-0.5774387409855238,0.5937753507053379,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,11.270022295497252,12.044907295353129,12.785729512056312,13.49167993731547,14.161844621655034,14.795573613657863,15.392664736868957,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_124,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.100979962855337,0.5995597629752539,1.6946444734391548,3.244738237432254,4.680429086996099,5.608635792632726,6.089984518301023,6.313511212220254,6.397119919110379,2.701445741519401,0.4438084248253317,0.0051904841837751,9.04354423897473,3.342540422699068,5.658426146941592,0.8221154005043482,4.672283634176202,10.077051095753712,0.7344567268352404,10.547937448858129,0.7470598543923341,30.705985439233423,-4.672283634176202,-10.077051095753712,-0.7344567268352404,-10.547937448858129,-0.7470598543923341,-28.050552707585823,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1877,11.920171607094147,12.643720119046725,13.337148820950537,13.998969978534385,14.628127714806016,15.223970864791792,15.786278578780648,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_125,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0978520544221437,0.6255080082844566,1.9792321274087248,4.081701724163059,6.085922671832323,7.399193365089812,8.085052639886817,8.40462193049299,8.524326230852825,3.334250237983128,0.4535137374594881,0.0047973234543306,11.9452516869194,5.2933078851921564,6.791246410743295,1.2254799986308984,5.325334314060869,11.819435865090885,0.5411636533565598,3.6118398991411698,0.506121559157502,19.77497130144993,2.494764516467831,5.789756043782318,0.1697544221460493,-3.6118398991411698,-0.506121559157502,4.918602053029519,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,9.287961808333144,10.158267921969918,11.00365260970828,11.819736599871876,12.601984757026882,13.346626852067542,14.051063079881748,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_126,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0960569317937878,0.573827520770071,1.7751658814423683,3.761636394634973,5.728591877367085,7.028650860836106,7.70801483317551,8.024415888256314,8.142896745663165,3.0417547048545104,0.4222507100494028,0.0047870881343661,11.305855538480252,4.2408165303461,6.557781474737241,0.7745897614354984,3.735241425619991,8.056950275739988,0.5831298999563831,8.35275692850986,0.5980917171635995,24.411060978354296,-3.673740170987856,-7.918462589212821,-0.5775388768080072,-8.35275692850986,-0.5980917171635995,-22.01569009222131,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,10.633342246174218,11.471324600685731,12.281336040296752,13.058681753830198,13.79908955132982,14.499420922411788,15.157870686831435,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_127,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0948118735098231,0.5518242549276184,1.6231251643260132,3.4406131585735453,5.382552777195954,6.735591912973255,7.461268098790024,7.803181483552199,7.931830069860821,2.7658542531033525,0.4104067850011171,0.0046811616294042,10.624355149002234,3.1493146844602458,6.668680428650762,0.5315197227569184,3.103263722358085,6.635429271813726,0.4314940767990423,6.555216336750422,0.614461662677473,19.83125937978085,-3.103263722358085,-6.635429271813726,-0.4314940767990423,-6.555216336750422,-0.614461662677473,-14.688266764142533,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1877,10.676229608871624,11.500122444306648,12.298441747927848,13.06525565918972,13.795893234639369,14.487187042421333,15.13742205789274,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_128,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0981935535334457,0.6321151890828106,1.962257693638644,4.043847838879644,6.093484545378344,7.45821914201111,8.175146432076282,8.509918154453967,8.635419388497159,3.2948348150220315,0.4583104320016921,0.0048221309146058,12.640605427797585,5.038362332766029,7.667146312908859,1.3099249527417025,4.573023468280852,10.089776040587315,0.4275031113469503,3.0115040053898285,0.5459778690423612,17.030543737138547,1.8736809894053696,4.426825147624274,0.1585609302608879,-3.0115040053898285,-0.5459778690423612,6.272856493696052,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,10.699825612356449,11.478952557786354,12.231702188509365,12.955241716226835,13.646799329968532,14.304195223284983,14.926048469387386,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_129,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0984085840331391,0.5824853621663013,1.7677610903366456,3.761149668993754,5.791425227174048,7.153709633481872,7.8701758420424,8.204744550358038,8.330161320350337,3.0310041146369486,0.4301651895973658,0.0049869430238082,11.861969065006909,4.124018026881675,7.400123935338654,0.9560230771540452,4.425886632809968,9.716826469748332,0.4580758516125922,4.158182373956546,0.577555390209775,18.72991332867468,0.6629865188718876,1.7422286994840743,0.0045489803584855,-4.158182373956546,-0.577555390209775,0.5888384785104055,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,11.277362199826804,12.052163215648696,12.7928250890628,13.49856679161403,14.168492732207552,14.801965453340175,15.398791535737258,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_130,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1009861578053699,0.5996201786642447,1.6956723826413174,3.249387332559243,4.689742586824959,5.621264848461759,6.104380032303003,6.3287340355165735,6.412653090095821,2.7045940681068443,0.443838954629735,0.0051911629996606,9.0708558906976,3.353247084692069,5.672721922046253,0.8232283223336907,4.677458279226297,10.088438171267985,0.7354916558452592,10.561391525988371,0.7474220795458408,30.742207954584075,-4.677458279226297,-10.088438171267985,-0.7354916558452592,-10.561391525988371,-0.7474220795458408,-28.09712451303667,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1877,11.90414135835048,12.629268717270248,13.32400961612189,13.986948972876585,14.617077378051071,15.213774690960667,15.776841666743945,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_131,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0978766205118518,0.6256513968756826,1.9795754180046048,4.082537630003714,6.0873970054778574,7.401101562108881,8.087182756268705,8.406853620153527,8.526595627399098,3.334879530185221,0.453622538915346,0.0047991466429894,11.950998038301734,5.295786573280563,6.79450337110086,1.2260363624233328,5.328219962585883,11.825853758753253,0.5414652837749508,3.61381960293735,0.5063710649639835,19.78568025481064,2.4961740289822973,5.793009935178273,0.1698432609130655,-3.61381960293735,-0.5063710649639835,4.920799340335231,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,9.32275706715516,10.189773454059948,11.032256712378093,11.845785171001271,12.62577886849215,13.368426227104573,14.071091393164624,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_132,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0960684029780168,0.5738935855563415,1.7757948864691209,3.763665875901277,5.731967486090945,7.032852588545585,7.712630792733583,8.029221206224452,8.147772430526308,3.0432672330866386,0.4222905975989975,0.0047882622549562,11.3167447055948,4.246100598046216,6.562946171849602,0.7757204458165731,3.73384495786962,8.05381532899078,0.5830085224688564,8.352510604283905,0.5980017268376647,24.40716957873598,-3.6750887382575934,-7.9215088748896,-0.5776670479586724,-8.352510604283905,-0.5980017268376647,-22.01985323836516,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,10.657366899400738,11.492964829748557,12.300888980360495,13.07640766688488,13.815213151666706,14.514135066073086,15.17134068499104,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_133,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0947955896667374,0.551751519986629,1.6227696566647158,3.440006700759852,5.382078483452794,6.735373825897954,7.46122863945841,7.803234703151157,7.931919474618604,2.7652908009579096,0.4103567631825078,0.0046796436675266,10.62481614349456,3.148335718969836,6.668863015423713,0.5308915410504266,3.1009489050679835,6.630315655677402,0.4310118123134518,6.549043403575599,0.6143401576250631,19.81486264847444,-3.1009489050679835,-6.630315655677402,-0.4310118123134518,-6.549043403575599,-0.6143401576250631,-14.666082336601717,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1877,10.685340017826196,11.5088870117986,12.30685426147602,13.073312847694114,13.80359428681466,14.494533863256173,15.144419421773849,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_134,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.098198821456821,0.6321040830942676,1.9621364416203595,4.0440893520064485,6.094790221520901,7.4604396567501725,8.177880476774286,8.512896595055688,8.638490000378495,3.2948440444964566,0.4583093745918762,0.004822723494729,12.643174478411456,5.038000713924545,7.66937272583982,1.3096770318621027,4.577717042271364,10.100175941885167,0.4282535025907035,3.0196941472894308,0.5463008487592812,17.056428673033807,1.8722312015854807,4.4237295597919895,0.1581054286690097,-3.0196941472894308,-0.5463008487592812,6.25050571616605,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,10.66401555316796,11.443632684399384,12.197007645943694,12.92133054369664,13.613819578357468,14.27226856256878,14.895264491372512,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_135,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.098365252420294,0.5823307471021687,1.767015746139195,3.759134617193185,5.788350967513521,7.150085636671976,7.86631051678744,8.20077714563128,8.326157339437072,3.029439135143952,0.4300490734775387,0.0049825860948613,11.8508055066252,4.118012026068932,7.395644777187219,0.9551790986794086,4.419963765046738,9.703486321333571,0.4572876860491763,4.152712833814896,0.577389717029591,18.706133422368325,0.6601628956447643,1.735873618757088,0.0045420103773238,-4.152712833814896,-0.577389717029591,0.5963063954942259,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,11.268156613539846,12.043096215114293,12.784034646525246,13.490133732331628,14.160459615514217,14.794349579393616,15.391593828931216,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_136,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1009542740371582,0.599536842373159,1.6957033418545902,3.249253295197235,4.68870368732044,5.61927732046474,6.101803140842752,6.32586285817365,6.409668631192561,2.7046075779563576,0.4437611837264331,0.0051879122771094,9.067210619461331,3.3540257721904663,5.668805088460847,0.8229377491619984,4.682172998628946,10.098813156478926,0.7364345997257892,10.573649796435262,0.7477521099040261,30.775210990402623,-4.682172998628946,-10.098813156478926,-0.7364345997257892,-10.573649796435262,-0.7477521099040261,-28.139556987660512,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1877,11.920743301712886,12.645265399905934,13.33940532616458,14.00172661181073,14.631218492138242,15.227267915064454,15.78968519271906,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_137,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0978927659279619,0.6255663663710195,1.978937990686541,4.0810635026062805,6.085246935431116,7.398571147789227,8.084470606461677,8.404060331008308,8.523772491407925,3.3336891876186754,0.4535896808102236,0.0048014428845191,11.94305289740756,5.290522498947381,6.791257146874157,1.2253540714991118,5.320499363846948,11.80884509435688,0.5405071311085496,3.6043038332724544,0.5055393002461877,19.749408483803776,2.496298091902676,5.792912823807541,0.1701108194141433,-3.6043038332724544,-0.5055393002461877,4.93355601602753,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,9.313363482424228,10.181608030095733,11.02517510670627,11.83963912493258,12.620431160311288,13.363756130213456,14.066995537596627,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_138,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0961420153166174,0.574045873724283,1.7755234503130577,3.7623328842689503,5.729848986342705,7.030402868390654,7.710060545850417,8.026605933845454,8.145142019759556,3.0423048975376283,0.4224446154453757,0.0047955949857987,11.308182871450848,4.241617740594743,6.5597091734174295,0.7759037088825719,3.732996712484715,8.052069312729811,0.5826778312998134,8.346308630346854,0.5978472261820834,24.394125388803783,-3.670735764496474,-7.911870959062816,-0.5770177451190641,-8.346308630346854,-0.5978472261820834,-21.99369766795132,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,10.675842303214088,11.509911824469627,12.316537106406937,13.090911971358494,13.828687310624437,14.52666959115011,15.183012592787884,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_139,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0947997627626279,0.551763862494339,1.6227623999453566,3.43991849752555,5.381757306915506,6.734794911844182,7.460483295299818,7.802404760870575,7.931056725569712,2.7652445114437265,0.4103680852576964,0.004680032828359,10.62179158240975,3.1476179045258594,6.667783781475619,0.5308962625906049,3.1028028355293795,6.63448023334132,0.4314656161999673,6.554527765129118,0.6142955953894647,19.82867033964657,-3.1028028355293795,-6.63448023334132,-0.4314656161999673,-6.554527765129118,-0.6142955953894647,-14.688578956350815,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1877,10.668901020454529,11.493736878479943,12.2928479701676,13.060331051142938,13.791537027773412,14.483315761472548,15.133966205708608,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_140,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0981658039811921,0.6319879303575215,1.9619545726204823,4.043836205172101,6.094570241917307,7.460335714847157,8.17786911023094,8.512935801566183,8.638549354841278,3.2946116207812364,0.4582129085292288,0.0048196437102829,12.642446536713054,5.0366961389553495,7.669720529225946,1.309372837458319,4.571426676660569,10.086179763346438,0.4272959982220294,3.0101227411929345,0.545929967898398,17.024288584175284,1.8728546331844391,4.424965013599236,0.1585477572184258,-3.0101227411929345,-0.545929967898398,6.274358944031143,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,10.614500105458566,11.399539874830015,12.157557828870017,12.885871808780552,13.581808126472524,14.24324997566838,14.868857540706072,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_141,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0983928721153884,0.5823927909171445,1.7670670962487682,3.758681431695823,5.786744168106204,7.147440311932966,7.863051865347608,8.197218105017992,8.322483527355544,3.0292529625745663,0.4301063424759359,0.0049853654556357,11.845753166139898,4.117548774194066,7.392105472400464,0.9550495064287672,4.42277542575017,9.709824792652478,0.4576421792738228,4.154906740705204,0.5774704030648676,18.71672767951105,0.661820728554657,1.739599492209027,0.0045938347538887,-4.154906740705204,-0.5774704030648676,0.5947938987136895,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,11.270076913004704,12.044950836925729,12.785763860193777,13.491706616574982,14.161864896132718,14.795588546149602,15.392675226805345,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_142,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1009583415904448,0.5995025614057781,1.6945668670611165,3.2446454213371623,4.680317659068592,5.608508805694386,6.089848369594283,6.313370561400276,6.396977544558709,2.701358468030305,0.4437579508107409,0.0051883249429671,9.043440279284903,3.342310419392591,5.658397857154766,0.8219503973775787,4.672117828715016,10.076686232214488,0.7344235657430033,10.547506354659042,0.747048248010051,30.70482480100511,-4.672117828715016,-10.076686232214488,-0.7344235657430033,-10.547506354659042,-0.747048248010051,-28.049060458435143,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1877,11.92019952029588,12.643744618099,13.337171209901417,13.998991010248345,14.628147801951387,15.223990218265817,15.786297295244712,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_143,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.097899812113719,0.6256288460510254,1.979357727298788,4.081781281914666,6.085954801648948,7.399192542604874,8.085033826118579,8.404594538662105,8.524295593435811,3.3343469727935706,0.4536222866632513,0.0048021511562485,11.945348907674727,5.293610418534409,6.791276909965599,1.225603600297493,5.32562638395537,11.820078596442434,0.5411925609677509,3.612076610985476,0.5061581083919502,19.77613905918609,2.494843365201208,5.789948541939043,0.1697592344101197,-3.612076610985476,-0.5061581083919502,4.918805996880842,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,9.288213265849516,10.158466925162765,11.003802952681085,11.819843537966303,12.602054110779438,13.34666441542464,14.051074267666335,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_144,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0960917238631249,0.5739146834720319,1.775266419150754,3.7617175487881593,5.728653317765112,7.028702075756828,7.708061638917472,8.024460852471218,8.142941054216733,3.041843809211657,0.4223288856755536,0.00479065461711,11.306106778965704,4.24102018417237,6.557919162782524,0.7746828395921577,3.735148970959992,8.056743900894064,0.583120245099244,8.35270077218878,0.5980848555315573,24.41073257020427,-3.673794646816836,-7.918587070438378,-0.577542579268048,-8.35270077218878,-0.5980848555315573,-22.0157804044874,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,10.632986839787304,11.471011905241088,12.28105744864096,13.058430637531776,13.798860879388055,14.499210899880117,15.157676446489392,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_145,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0948165717916865,0.5518528098896849,1.623200743296299,3.44069851592562,5.382621362706812,6.735645682166266,7.461313797124941,7.803223403127858,7.931870574294781,2.7659413558231427,0.4104268762288862,0.0046815729165078,10.624683768845829,3.149478422728062,6.668870846592285,0.5315791071557388,3.103297834265262,6.635506174047471,0.4315026955043273,6.555319398299881,0.6144602782308913,19.831516126369586,-3.103297834265262,-6.635506174047471,-0.4315026955043273,-6.555319398299881,-0.6144602782308913,-14.6886995139766,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1877,10.676235549381683,11.50013154335426,12.298451966645016,13.065265733937087,13.795902425879206,14.48719496011036,15.137428539652891,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1877_146,RSM1877.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0981811919568413,0.6320785127806329,1.962225900954071,4.043872847638066,6.093569549621022,7.4583402217874415,8.175284999943395,8.510064545966571,8.63556865762299,3.294837434197854,0.4582785889663536,0.0048209404604779,12.641031195587248,5.038339785041228,7.667379361750213,1.3098085672941795,4.573084525291316,10.089911780513257,0.4275299617114876,3.0119088809894192,0.5459720437196129,17.031379351760513,1.873452970935953,4.426313446161814,0.1585189015819003,-3.0119088809894192,-0.5459720437196129,6.270936946577019,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1877,10.69983786060392,11.478971851155828,12.231727490035382,12.95527201012634,13.646833645509698,14.3042326624088,14.926088226543634,[Cu].n1ccc(cc1)C1=NN=C([N]1)c1cnccn1pcu.cat0,"linker n1ccc(cc1)C1=NN=C([N]1)c1cnccn1, nodes [Cu], topology pcu"
RSM1889_0,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0046383118451237,0.1941278859942147,1.1957089916020351,3.06409046684998,4.869930386504527,6.03000478660713,6.626992574547025,6.903073348194781,7.006151334207942,2.3879621452887894,0.107806428072654,6.121058360654036e-06,7.770843570004666,2.684769914740243,4.961706571202076,0.4711104019417449,22.51274161883732,50.407513103284096,2.004958472728685,3.556676999364265,1.592546549041468,53.78338499682133,-22.51274161883732,-50.407513103284096,-2.004958472728685,3.4475905993332066,1.592546549041468,-53.78338499682133,-22.0,-49.3806,-2.0,4.0,1.79,-46.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM1889,21.128365517371734,21.57295423230451,21.92492546335744,22.20787285748769,22.43845580208415,22.62866682219901,22.78729452809064,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_1,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0046477487556244,0.1941346988878833,1.194938880238408,3.0624730017821475,4.869098805856462,6.030659180062583,6.628711816674434,6.90535259941746,7.008650478480603,2.3864909840208526,0.107846410823641,6.154591450406456e-06,7.789339794227637,2.680365129046156,4.976892724225293,0.4697530280305781,22.51109420276825,50.40399455188736,2.0047332850614312,3.555171788091785,1.5928807792952169,53.775858940458924,-22.51109420276825,-50.40399455188736,-2.0047332850614312,3.4510395167402947,1.5928807792952169,-53.775858940458924,-22.0,-49.3806,-2.0,4.0,1.79,-46.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM1889,21.00392261731871,21.4667168049282,21.83334451554765,22.128225869079408,22.368630415506463,22.5670054588996,22.732482202535323,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_2,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0046492041615326,0.194162364658458,1.1950183741186169,3.06256164424648,4.8691577265599895,6.0306901383312805,6.628726872600808,6.90536005520823,7.008655063152294,2.3865831836589853,0.107864524356403,6.158636126728259e-06,7.789451243228957,2.680602290326864,4.976894055165617,0.4698249917052687,22.511073210630123,50.40394775890901,2.00472851428722,3.555125989390952,1.5928814099160096,53.775629946954766,-22.511073210630123,-50.40394775890901,-2.00472851428722,3.451098675072111,1.5928814099160096,-53.775629946954766,-22.0,-49.3806,-2.0,4.0,1.79,-46.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM1889,21.003876535722764,21.466678838575344,21.83331271742681,22.12819886255991,22.36860720174252,22.56698529654573,22.732464530336102,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_3,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0046391504384931,0.1941437482139789,1.1957644039798765,3.064198719852999,4.870074898862759,6.030166674971747,6.627161964421698,6.903245917385546,7.006325046351291,2.3880532871351785,0.1078169072503188,6.123004681634107e-06,7.771323966579562,2.684968860119181,4.962035757128573,0.471158298888031,22.512754643186927,50.40754175672104,2.004961058701791,3.556700178638139,1.5925452702372151,53.78350089319071,-22.512754643186927,-50.40754175672104,-2.004961058701791,3.4475568871987408,1.5925452702372151,-53.78350089319071,-22.0,-49.3806,-2.0,4.0,1.79,-46.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM1889,21.1282129029718,21.57282938412608,21.92482141128288,22.20778476940417,22.438380232866965,22.628601253325268,22.787237077033723,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_4,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140745626075795,0.484829642247847,1.273961655648007,2.543302177841529,3.762692292165519,4.559146065239478,4.973767808871735,5.166621093737602,5.2388043692670445,2.089273484740288,0.3845445393659765,0.0201366899882649,7.413456661664168,1.6359284084985628,4.940964994539611,0.1319557424603415,4.234145278560129,9.177588459996688,0.7108211565458888,9.92071453092724,0.5611441556153383,28.58675456541157,4.234145278560129,9.177588459996688,0.7108211565458888,9.92071453092724,0.5611441556153383,28.58675456541157,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,3.255431957415047,3.916777849749321,4.601348738943695,5.291795181506146,5.974443328168617,6.639372330462359,7.280006994714126,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_5,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.179350022952359,0.5526437536686128,1.496559614989866,3.3433593440402007,5.281751948681888,6.575322584941942,7.251230597676602,7.565734592302672,7.683443092835761,2.651779457694545,0.4447781595654313,0.0323481232312155,11.69990677758413,3.1285167599400245,7.326472137383146,0.3435736317608622,4.053864730450145,8.786720710015246,0.6804234651343185,9.497252451524693,0.538326391210689,27.36031890715157,4.053864730450145,8.786720710015246,0.6804234651343185,9.497252451524693,0.538326391210689,27.36031890715157,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,4.922449011668176,5.5766896869330544,6.202626478688857,6.80119495745341,7.372884650745447,7.917769545751497,8.43573733651483,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_6,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432330418670568,0.4972170459634585,1.2871637003847085,2.665026552344852,4.133810654253681,5.145372172824869,5.68377828995823,5.936503047109696,6.031439863394505,2.1517757319198614,0.3942470017675676,0.0207431008470642,8.21868446082573,1.846749519899647,5.690435349320314,0.3030138841419273,4.992559394982474,10.821309331081972,0.8326941491480984,11.587084029989574,0.6602273992567372,33.367287334802604,4.992559394982474,10.821309331081972,0.8326941491480984,11.587084029989574,0.6584718893997027,33.367287334802604,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.547316057035076,4.236859390532301,4.948351234431136,5.661957227139628,6.362866678323125,7.0408857987235045,7.689666917629431,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_7,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1433100397837451,0.4937153896966746,1.274409771025816,2.631431459791744,4.077254468588955,5.074692140086817,5.606247614042694,5.855916702757868,5.949731794566568,2.126425106119425,0.3920843980933456,0.0208068963286743,8.176043397136825,1.8061297807202144,5.650704323249363,0.2727242627958727,4.847903840093201,10.50749075502686,0.8111152503311807,11.30743137956786,0.6425724152732554,32.55674489515818,4.847903840093201,10.50749075502686,0.8111152503311807,11.30743137956786,0.6418025602853442,32.55674489515818,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.6154080383495617,4.311350351470075,5.026556333652345,5.741693737445138,6.4424725479363385,7.119159807872399,7.7657830533090735,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_8,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406234912399082,0.4825623413052116,1.2577937222489262,2.5105007390269733,3.722509480061204,4.517336253323699,4.931885577439854,5.124863392970342,5.197117597102707,2.061199442461292,0.3833954049391012,0.0201072769131239,7.3287833583432125,1.5879532553163729,4.901285255185313,0.1234128871803103,4.226378198667238,9.161540750951378,0.7102533563424431,9.908405049406785,0.5595153693579893,28.585843950634832,4.226378198667238,9.161540750951378,0.7102533563424431,9.908405049406785,0.5595153693579893,28.585843950634832,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,3.2794145563616444,3.941189671015156,4.625856777410155,5.316128316673168,5.998388107562291,6.662766826060401,7.302733617139253,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_9,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1797313221319726,0.5612738427199979,1.5536476000840804,3.458505809986261,5.427080586028634,6.732631856330902,7.413208202551084,7.729594874820314,7.847965830304492,2.750088952543026,0.4492779411149881,0.0324421281396821,12.088487181846054,3.4211302099350376,7.481931822643981,0.4001571901201201,3.96105795845561,8.584833518547471,0.6641419924399986,9.274193897975598,0.5272375595776404,26.684649678521858,3.96105795845561,8.584833518547471,0.6641419924399986,9.274193897975598,0.5272375595776404,26.684649678521858,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,4.963184700980637,5.612763583663991,6.234078298157836,6.828309115688612,7.396052919563571,7.93741531954517,8.452276047210688,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_10,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434732309699705,0.4695718377934363,1.168535268224958,2.494866970550535,3.9297148590633633,4.907317069831412,5.4232682588856935,5.664415204388348,5.754834720457356,1.9936970380107533,0.3792847105396189,0.0209681264759159,8.13085114194666,1.5894838065367964,5.627901160628781,0.1079078430189508,3.387165764229629,7.35708718636649,0.5834484083248349,8.054032024793512,0.4211955870244369,23.906006098659454,3.387165764229629,7.35708718636649,0.5834484083248349,8.054032024793512,0.4211767035330495,23.906006098659454,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.88826064626828,4.618976940823888,5.358574814786012,6.088895470353462,6.797170384028573,7.475212276901935,8.118453078862771,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_11,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407459314138848,0.4848369032232567,1.2739812081295014,2.543323167502435,3.762707002423992,4.559155742490679,4.973774920095696,5.166627051744332,5.2388099038648335,2.089295457600413,0.3845492786286575,0.0201366903522781,7.41346805985202,1.6359580201777817,4.940973226782608,0.131965915714174,4.234166016243422,9.177628761142476,0.710820174894928,9.920727415402848,0.561153998272737,28.58658216142785,4.234166016243422,9.177628761142476,0.710820174894928,9.920727415402848,0.561153998272737,28.58658216142785,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,3.2554242368023734,3.91676942505584,4.601339959217467,5.291786302703333,5.974434531470643,6.639363738395957,7.279998685306715,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_12,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432332895290535,0.4972251266121418,1.28719026445965,2.665057438807589,4.133828935388964,5.145376942441815,5.683774871997985,5.936495599709055,6.03143087487889,2.1518077043337343,0.3942519515058652,0.0207431010700694,8.218768028155933,1.8468003844542733,5.690438174959,0.3030154051041264,4.992481568479315,10.821134005777814,0.8326890739905478,11.587147539635168,0.6602323775914019,33.367208578369926,4.992481568479315,10.821134005777814,0.8326890739905478,11.587147539635168,0.6584816327617498,33.367208578369926,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.547233385355598,4.236782113151886,4.948279104539513,5.661889995786965,6.362804073459398,7.040827528702906,7.689612681541311,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_13,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434036825585338,0.4690632802235892,1.159597372868786,2.4654884910147903,3.882326135996745,4.84901375751212,5.359410121733406,5.597987021532592,5.687445740637386,1.971579241514364,0.3790434697012682,0.0209488479448801,7.935144353644201,1.5262018035139666,5.506951818968929,0.0994246551696888,3.471058711698236,7.534135232036939,0.5918741182586089,8.192488044275061,0.4405737769921258,24.08429124224938,3.471058711698236,7.534135232036939,0.5918741182586089,8.192488044275061,0.4402185394959056,24.08429124224938,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.904399306454318,4.634265359012929,5.372884670533838,6.102178834892884,6.809436940634804,7.486507948061178,8.12884357146841,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_14,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405249288894632,0.48057161276066,1.246224050931703,2.4777691977030587,3.656908229687953,4.423470746025349,4.821385588958406,5.006209432445284,5.075346046588195,2.0373749650603874,0.3823125554010818,0.0200856934358547,7.253890500371163,1.550380065991836,4.862723038985342,0.1158839162509268,3.5189832725839474,7.62863644329428,0.5919386866694157,8.254492765939274,0.4630838353433913,23.840791703939367,3.5189832725839474,7.62863644329428,0.5919386866694157,8.254492765939274,0.4630838353433913,23.840791703939367,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,3.28829067660887,3.94918015584367,4.633151009962437,5.322896387596622,6.004766910774607,6.668858730544799,7.308610794805333,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_15,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1797307621883465,0.5612610655040361,1.5535762529114514,3.458342146145858,5.426858309208444,6.732385455495216,7.412952859093263,7.729336117339542,7.847705909708518,2.7499548913560607,0.4492702159446016,0.0324421267610349,12.087523357919157,3.4207963274579507,7.4813504232179024,0.4000912275877952,3.961159408635857,8.585051883713742,0.6641575427009964,9.274419750243828,0.5272536988421841,26.68523094589046,3.961159408635857,8.585051883713742,0.6641575427009964,9.274419750243828,0.5272536988421841,26.68523094589046,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,4.963322980318195,5.612898825102361,6.234208528576634,6.8284331966278495,7.396170294018748,7.9375258213574496,8.452379763762115,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_16,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1790920056684206,0.5534428510529402,1.4948237004836131,3.3207289083044467,5.234715647841876,6.512739213738128,7.180854644587403,7.491812731323702,7.608207192001827,2.637742298974791,0.445107478963469,0.0322492318341385,11.54367633261044,3.094070796333217,7.227350478296925,0.3392471182259436,4.059882132093535,8.798030419442565,0.6797519165947798,9.497897464851771,0.5422981353511421,27.283223501166923,4.059882132093535,8.798030419442565,0.6797519165947798,9.497897464851771,0.5422981353511421,27.283223501166923,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,4.828276263145248,5.487255985895722,6.118674422828063,6.722953205681591,7.300273036817819,7.850534610546987,8.373538009574,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_17,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432322663163182,0.4939132854854885,1.2749424446021278,2.639101729288728,4.095831900420995,5.100628035029617,5.635882284668881,5.887226394793661,5.9816602256172375,2.130723838671096,0.3922172566162171,0.0207789423956276,8.231747669765484,1.824389475290172,5.681809731472096,0.2767663722407876,4.936229063115676,10.697049952737313,0.8241309681658538,11.500032745613044,0.6575181161292325,33.026125923497254,4.936229063115676,10.697049952737313,0.8241309681658538,11.500032745613044,0.6567522001979845,33.026125923497254,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.557366438924984,4.246315804060872,4.957034422166625,5.669795093356056,6.3698572927308925,7.047068631089674,7.695102778651805,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_18,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430719359044636,0.4955155990995217,1.2841751590823118,2.670387220859103,4.152147433540996,5.17304713739043,5.716409817081115,5.971449118277039,6.067252972510368,2.153212778208087,0.3931160301347125,0.0207127244373863,8.230878298277222,1.8432720090301973,5.701828087919528,0.2995298843666752,5.008173118020198,10.856534835175973,0.836175953264752,11.624552343296344,0.6598131814407732,33.53665919609568,5.008173118020198,10.856534835175973,0.836175953264752,11.624552343296344,0.6579005328472955,33.53665919609568,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.545749003835452,4.235314575870631,4.946858372669121,5.6605439381212905,6.361554250057266,7.039688292043748,7.688591863133746,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_19,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1788225392938218,0.5648490627957194,1.5405689676243397,3.377449618796482,5.281880944839065,6.5502890498076445,7.212994420534001,7.521388089774066,7.636817481227891,2.694439690839716,0.4513197895669683,0.0320676910733743,11.640415464141109,3.265953613752258,7.248544932000835,0.4003881300310896,3.9897469433633166,8.643437440427606,0.6654870662153539,9.313643473086149,0.5375165167961001,26.635359918258192,3.9897469433633166,8.643437440427606,0.6654870662153539,9.313643473086149,0.5375165167961001,26.635359918258192,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,4.581978901002668,5.251153779820227,5.896227625399951,6.515739749125848,7.108656182951873,7.674136135348727,8.211558010210908,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_20,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.143375228051692,0.4688294075395471,1.1580418448664949,2.462087586123423,3.879944649386016,4.848895332170441,5.360906710495103,5.600326944384729,5.6901156087700375,1.968576298016073,0.3789060253198332,0.0209414704626358,7.93033382397883,1.524895915583792,5.505069524005974,0.0984853285086822,3.427193142945239,7.440971107216661,0.5866998464401788,8.11149150383661,0.4315303176733798,23.93878093314302,3.427193142945239,7.440971107216661,0.5866998464401788,8.11149150383661,0.4312867354902117,23.93878093314302,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.8996893572409976,4.630013534624456,5.36914001252423,6.098939356432057,6.80667045271942,7.484167138020857,8.126875899397087,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_21,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434199982071335,0.4694863007701252,1.1683949705271843,2.494641879616205,3.9294257962810266,4.906993335925902,5.422928124933423,5.664067765528587,5.754484596046412,1.993500104003636,0.3792056572540562,0.020952731553917,8.130179237327441,1.5892105770635094,5.6274407613481445,0.1078293363465307,3.38724599691232,7.357256822331672,0.583457698071742,8.054186291248625,0.4212144484465561,23.90625539346459,3.38724599691232,7.357256822331672,0.583457698071742,8.054186291248625,0.4211955575117609,23.90625539346459,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.888244913765357,4.618959243663954,5.358556078561382,6.08887635969672,6.797151360171732,7.475193648098298,8.118435041421264,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_22,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432438528938345,0.4936240713979101,1.2743256567918209,2.6313612321615016,4.077206033939799,5.074663459832412,5.606230796979825,5.85590574344357,5.949723080928771,2.126349262117486,0.3919943356062093,0.0207877126603263,8.17573247319484,1.8061289528770623,5.650444323924711,0.2727408330748916,4.847727645629634,10.507104406550416,0.811082719426658,11.307011912586251,0.6425570727449278,32.55533819600059,4.847727645629634,10.507104406550416,0.811082719426658,11.307011912586251,0.641787662332968,32.55533819600059,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.615458097385851,4.311394838821212,5.026596418234138,5.7417302610485965,6.442506120615216,7.119190876174431,7.765811948872873,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_23,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406239382112538,0.4825748328363854,1.2578342325247391,2.510565628476649,3.7225903756927794,4.5174254859003575,4.931978626718524,5.124958107690938,5.197212918079398,2.0612569487408914,0.3834032492476596,0.0201072774193264,7.329051730591526,1.5880275006248066,4.901456913324211,0.1234220233299766,4.226376137037536,9.161536971063308,0.710253688166901,9.908405642372747,0.5595135463652795,28.58587748649539,4.226376137037536,9.161536971063308,0.710253688166901,9.908405642372747,0.5595135463652795,28.58587748649539,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,3.279423170450566,3.941201206620705,4.625871158588695,5.316145256701321,5.998407214696175,6.66278767507609,7.30275579380605,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_24,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1790917676177944,0.5534347762108786,1.494786616178369,3.3206624142085066,5.234634755117599,6.512652756316526,7.180766045265643,7.491723272915323,7.608117431996392,2.6376840709630764,0.4451027645425863,0.0322492315282111,11.543422003834891,3.09393986654337,7.227235476380396,0.3392213373448258,4.059731399641138,8.79771008016103,0.6797327910030165,9.49759372766527,0.5422667197470685,27.28263837200546,4.059731399641138,8.79771008016103,0.6797327910030165,9.49759372766527,0.5422667197470685,27.28263837200546,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,4.828348448100919,5.487327116526477,6.118744472350744,6.723022156124005,7.300340843056063,7.850601194764183,8.373603270590758,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_25,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.178822045730368,0.5648395677754913,1.5405509962293442,3.377449007783484,5.281908998167478,6.550338486456679,7.213055490556605,7.52145466219273,7.6368861265162655,2.694430640628492,0.4513133707083185,0.0320676900432551,11.640630693430804,3.2660194890058865,7.248635051776,0.4003780530350256,3.9896599475501136,8.643249145953208,0.6654727130370451,9.313441651846473,0.5375048221239033,26.634790174842585,3.9896599475501136,8.643249145953208,0.6654727130370451,9.313441651846473,0.5375048221239033,26.634790174842585,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,4.581870942666156,5.251043230019451,5.896117090265053,6.515630860508297,7.108549938823596,7.674033126984965,8.21145856817743,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_26,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405124028836068,0.4806780153363326,1.246293859684417,2.4762086786864947,3.652443045163613,4.416569104338727,4.813076364812198,4.9972162615317774,5.066092334495058,2.0365847956287646,0.382369243092806,0.0200813846100946,7.228575241659799,1.5485764117063274,4.8442405000195246,0.1166083195325369,3.68231404394704,7.986286855400722,0.6228940040328211,8.665466076209608,0.4776278944602889,25.19101006256227,3.68231404394704,7.986286855400722,0.6228940040328211,8.665466076209608,0.4776278944602889,25.19101006256227,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,3.2773290057318163,3.9394087454834303,4.624370929640721,5.314932336117799,5.997476701341065,6.662131446970904,7.302361212958825,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_27,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405873754534278,0.4806697557979464,1.2463468654771548,2.4779151272798945,3.657074418778684,4.42365082537532,4.821573208918306,5.006400637248053,5.075538606033434,2.0375132624011947,0.382404833688481,0.0201033806338387,7.254381509130998,1.5505346694665547,4.863015011888581,0.1158975720575308,3.5188012153001216,7.628250081159483,0.5919161844364262,8.254130690791532,0.4630429343507573,23.840126834049222,3.5188012153001216,7.628250081159483,0.5919161844364262,8.254130690791532,0.4630429343507573,23.840126834049222,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,3.28826492230358,3.9491578825890032,4.633132121950239,5.322880643902034,6.004753997656545,6.66884830983306,7.308602533907928,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_28,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1793335572267105,0.5525963296048866,1.4964274197721923,3.3431390450052345,5.281489432062592,6.575046096797938,7.250949805318548,7.565452369604646,7.68316042023491,2.6515841888923304,0.4447415122788081,0.0323426355593177,11.698728775021964,3.1280261118625554,7.325887525520659,0.3435089831225048,4.053712370757145,8.78639601231254,0.6804032734504613,9.496938558360837,0.5382958690727772,27.35966728774656,4.053712370757145,8.78639601231254,0.6804032734504613,9.496938558360837,0.5382958690727772,27.35966728774656,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,4.9225248984100585,5.57676006504444,6.202689536343474,6.801249880637229,7.372931311560675,7.917808258594427,8.435768677450234,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_29,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1435480993301738,0.4689732023585597,1.1575295816197426,2.466271199351919,3.888149659592562,4.858353302239809,5.370641658418342,5.610117370357608,5.699915986035225,1.970800773238777,0.3791561544798869,0.0209895325827,8.033997230714723,1.5353893017866456,5.5702964451631205,0.0965775705257919,3.466622929633212,7.526280286534776,0.5934775062601173,8.208718468658633,0.4363326630271413,24.213854534981284,3.466622929633212,7.526280286534776,0.5934775062601173,8.208718468658633,0.4361827353566396,24.213854534981284,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.911215473159753,4.639885727051833,5.377313157814494,6.105487795839733,6.811738198400942,7.487930791873202,8.12951980451556,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_30,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1435476286202049,0.4689576212083825,1.1574620576315366,2.466142605990085,3.887976027787667,4.858152559267019,5.370427006667237,5.609896258608331,5.699692455715913,1.970691489868611,0.3791468460319543,0.0209895321110514,8.033463243520737,1.5352260274682452,5.569941213645747,0.096550875890945,3.4665367666559823,7.526096606174661,0.5934614615253565,8.208445724029163,0.4363131181313154,24.213198261722944,3.4665367666559823,7.526096606174661,0.5934614615253565,8.208445724029163,0.436161665552443,24.213198261722944,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.911204449600774,4.639872311317502,5.377298446609109,6.1054725909399785,6.811723062185495,7.487916102591729,8.129505804154181,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_31,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1433472486011664,0.4687923562287274,1.1580062463720846,2.4620215586377365,3.879833771972869,4.848753408584599,5.360748666424513,5.600161451813446,5.689947338542901,1.9685243219448607,0.3788688192197459,0.020933325360947,7.930033743094803,1.5248004418089485,5.504904671103209,0.0984789672488281,3.4271777254229288,7.4409337196151775,0.5866951464895425,8.111460780668327,0.4315367563626474,23.938515223187707,3.4271777254229288,7.4409337196151775,0.5866951464895425,8.111460780668327,0.4312937580688846,23.938515223187707,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.899757446924184,4.630088425503029,5.36921951725624,6.099021677634735,6.806754140281264,7.484251044298057,8.126959134703275,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_32,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434039164250447,0.4690700213427712,1.1596204530862102,2.465538798249998,3.882401347252734,4.849102631305279,5.359505162718121,5.598084708211777,5.687544381370216,1.97161959257477,0.379047766004174,0.0209488481569983,7.93548801254545,1.5262636097052125,5.50717340500194,0.0994235803022358,3.471120962085305,7.534260928318374,0.5918729172486495,8.192507278532233,0.4405996563208522,24.08391660079082,3.471120962085305,7.534260928318374,0.5918729172486495,8.192507278532233,0.440243543851888,24.08391660079082,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.904356005169847,4.634206931726958,5.372814832913708,6.102100712776234,6.809353123426236,7.486420543608188,8.128754265489032,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_33,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430719351954149,0.4955143901345093,1.2841508029267408,2.670310648410473,4.152029583830593,5.172908061425494,5.716261266986536,5.971296496339945,6.06709887873269,2.153154317217224,0.3931156325297246,0.020712724437386,8.230140306199868,1.8431056858018584,5.701349953617582,0.2995221008212417,5.008179826194392,10.856549048738552,0.8361795714512963,11.624623382379026,0.6598151995531429,33.53685702302518,5.008179826194392,10.856549048738552,0.8361795714512963,11.624623382379026,0.6579034777205642,33.53685702302518,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.54574314514053,4.235304988065944,4.946844996512659,5.660527092465077,6.361534442513682,7.039666096707035,7.688567847341855,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_34,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405109726351374,0.4806689615132112,1.2462527072654972,2.4761380960601684,3.652366226283737,4.416493829788146,4.81300278302164,4.997143597235231,5.066020030020185,2.0365211942235804,0.3823634582846368,0.0200810264094633,7.228380741274297,1.548484930672696,4.844152373744471,0.116599624649401,3.682401932688764,7.986485936459089,0.6229170637675084,8.665738442828832,0.477624458745545,25.192184800281773,3.682401932688764,7.986485936459089,0.6229170637675084,8.665738442828832,0.477624458745545,25.192184800281773,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1889,3.2773163581546343,3.9393929546677273,4.624352214505271,5.314911061307404,5.997453302926235,6.662106377311656,7.302334904499451,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_35,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432510867996489,0.4939204958865549,1.2749034174613667,2.638998554558282,4.095652992096386,5.100395238590835,5.63562086121862,5.886951602124318,5.981380425313278,2.130645324122011,0.3922314916893168,0.0207845776162072,8.231233491047389,1.8242111941724413,5.681490041366807,0.276736540470353,4.936061365451819,10.696684628650026,0.8241057864976605,11.499723535415228,0.6575003069657712,33.025164588826314,4.936061365451819,10.696684628650026,0.8241057864976605,11.499723535415228,0.6567359609129221,33.025164588826314,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1889,3.5574699432093286,4.246426959254504,4.957150671741347,5.66991413629846,6.369977197280083,7.047187854900484,7.695220140036658,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_36,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.24432535667166,0.974354717549426,2.175960930517877,3.80094101951259,5.317946869365779,6.295091197990623,6.799463296045618,7.033060245079454,7.120331046783684,3.2287474075969653,0.774221678050781,0.0263571831770798,10.028947496739008,5.30168289701322,5.752030691005088,1.767125790155464,2.5503987744423062,5.457867392248852,0.3594624346437747,5.426098251592505,0.4846689814268622,19.941242565087023,-1.044225571995441,-2.452290402553425,-0.3594624346437747,-3.919925049145639,0.23304527717622,-19.941242565087023,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.180796263443211,9.843894826737223,10.509327733697946,11.170584824980192,11.82130128395561,12.455879335489223,13.06978868731997,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_37,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0985118256740769,0.7010052955221441,2.1127387379723275,4.05018167692628,5.71760490990467,6.743646776726126,7.263134433101221,7.501830583625725,7.590725676650053,3.387789327110438,0.5062997913041519,0.0035055378705708,12.027046597984944,5.314875152139058,7.371956510874118,1.582227176687268,0.9896133049121704,2.157417092147933,0.1782541367167586,2.41564639864624,0.1061514143419933,8.513149258896025,-0.792928062255416,-1.7651578784554345,-0.1782541367167586,-2.218961155989485,-0.0186264813597376,-8.513149258896025,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.852756221666043,8.651142587694515,9.438502805340542,10.210750560870178,10.96340291256504,11.692213264164822,12.393584337114657,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_38,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0985045579216248,0.7014638250411066,2.120177982444293,4.073409948848514,5.754092442823192,6.7870695081543015,7.309630642217024,7.54963603691922,7.639001985076083,3.405403581329312,0.5064483763348895,0.0035073759715125,12.143539626921102,5.392735308499895,7.408276257143964,1.5949607519584263,1.000449287200154,2.175239693699935,0.1745799340183974,2.3970887593473336,0.1178625565195734,8.493845116368718,-0.74535005298382,-1.6664825359405897,-0.1745799340183974,-2.141989525130999,-0.0043433972933046,-8.493845116368718,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.859927060796752,8.656460930829384,9.44271740479559,10.214398367253578,10.966846770615874,11.695682452458566,12.397210867178192,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_39,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2403437749084405,0.9680073333211748,2.152247686909845,3.605054703236676,4.866922284298815,5.66235679839974,6.071228114269899,6.260497153176489,6.331209452286021,3.110799982002174,0.767354544842627,0.0258560829974602,9.159476308903736,4.929334631964438,5.294468543404176,1.734511419510467,2.440135134564193,5.2234235112636345,0.3453751309545496,5.2031361822005895,0.4615942701617913,19.10817829191196,-1.0136161749813026,-2.3767358404593257,-0.3453751309545496,-3.7766172226176993,0.2198316784936068,-19.10817829191196,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.413681068976087,10.078823927278911,10.748875334687058,11.415593064813532,12.071420936726492,12.710024284226536,13.326488881917628,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_40,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2447197527131386,0.9751399172996024,2.1756551507682533,3.796014760134653,5.306357927306155,6.278356588594873,6.779875829810133,7.012113367955749,7.098870620322199,3.225792803241374,0.7749765326821191,0.0264124960901834,9.977827479118083,5.299401206727397,5.7112966553248254,1.7665002114592587,2.5280865106214225,5.40383963762164,0.3502278305479158,5.329909155004749,0.4918279401473624,19.644989164065425,-0.974191794857735,-2.303105892057131,-0.3502278305479158,-3.7760144392410617,0.2466684587638216,-19.644989164065425,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.192334145645226,9.852594991821997,10.51598162318926,11.17576906861193,11.825429345924944,12.459244264868758,13.072596538645024,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_41,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166443967239319,0.893973593619036,2.0926693419332705,3.708680234613964,5.152879864641125,6.062593264871068,6.528029464621148,6.742837352287044,6.822978294009968,3.1489704811171264,0.7046441850858216,0.0232146095494911,10.019189010214689,4.828964638024657,6.056923468062911,1.5812523881264575,2.0696550741620565,4.543253289338547,0.4031354615216615,5.294738766335349,0.1651175176489998,18.41098460124352,-1.961699541054558,-4.327952171885607,-0.4031354615216615,-5.18678323322785,-0.117077305416163,-18.41098460124352,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.406504202706278,10.231526158134756,11.021955762455924,11.775721696305872,12.491629516746558,13.169179801566449,13.808454811294808,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_42,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167244310252833,0.8956676312048716,2.1047388962138016,3.7284149211298296,5.173692535554476,6.084126824625919,6.550334758183094,6.765623170423044,6.845965431119998,3.1672649426873454,0.705456785158453,0.0232441444275575,10.06264087240197,4.86675058453474,6.061251780489836,1.59704348665049,2.015966991901671,4.430360091424726,0.3974901515267831,5.195888204115935,0.1518112772835252,18.02963799004402,-1.95893452336616,-4.316617387800929,-0.3974901515267831,-5.138855735580424,-0.1264318287852226,-18.02963799004402,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.343881657128913,10.171988284873086,10.965359152025552,11.721882824440083,12.440370018302543,13.120342006186316,13.761903264048582,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_43,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2442771561799925,0.9742980398224224,2.1759340188686767,3.800928454510339,5.317937987799601,6.295084261378961,6.799457493408993,7.033055008131561,7.120326028074667,3.228732091765677,0.7741615693202669,0.0263428941602639,10.028826932881447,5.30161441938533,5.751858807726129,1.7670483159811716,2.5503801395994445,5.457829557300584,0.3594617669546877,5.426074275236945,0.4846624275129538,19.94113603709097,-1.044237529947433,-2.452313544656136,-0.3594617669546877,-3.9199316655849343,0.2330391906446726,-19.94113603709097,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.180817833161248,9.84391452199504,10.509345281781105,11.170600054802954,11.8213141370788,12.45588985232632,13.06979698344194,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_44,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0987643290725434,0.7003599900491813,2.14726948728989,4.147990889161747,5.834628510166247,6.8532634984319545,7.363726666099525,7.597148078820619,7.683902150362261,3.4675797097807086,0.5053783306129614,0.0035364698747581,12.554306915636996,5.622598918802388,7.746036166553933,1.6348387831424285,0.8098863326777693,1.725814591667687,0.1072801684707919,1.6681276804441043,0.1595452184326876,6.195035032804685,-0.2629153520301495,-0.6349413012196933,-0.1072801684707919,-1.121156699796485,0.0844491005031333,-6.195035032804685,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.4458649997767985,8.302815904036725,9.144484132935844,9.96508269341885,10.75972214339258,11.524420461712683,12.256152512022403,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_45,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2438425649207766,0.972883933108468,2.168039552976164,3.7744847260100016,5.27523943606234,6.244233756954884,6.745158725482569,6.977330594202136,7.064096348964345,3.209149940838452,0.7730591306679113,0.0262884371456835,9.795908837500146,5.225576324040636,5.619286370009467,1.754423631374753,2.550244730277245,5.461760108178422,0.3635197524115373,5.458402749569543,0.4774511078247314,20.02161869961697,-1.0849527938381271,-2.537681073908712,-0.3635197524115373,-3.993110813130426,0.2229872811366556,-20.02161869961697,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.21336327014268,9.876588379493557,10.542392101883156,11.203987379019686,11.854876201990765,12.489411645363328,13.103060756178868,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_46,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0982554079574675,0.6988136642500683,2.1469403666985363,4.149594229188639,5.836111801982192,6.853624768939962,7.363196571120553,7.596134533241506,7.6826966347649535,3.4687165452675366,0.503964406629093,0.0035047986422458,12.549617015522202,5.637086470137706,7.722195295914376,1.634656141590504,0.8497377207409352,1.811973394764074,0.113761872132032,1.7598326977971916,0.1650846014151626,6.523926046345316,-0.2878810005793854,-0.6914157576748001,-0.113761872132032,-1.1979759776356418,0.0854512909227402,-6.523926046345316,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.441309584152271,8.301814344286461,9.146970380590904,9.970861181672293,10.768494740125774,11.535824582195158,12.26979733430108,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_47,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2407443962186853,0.969170841179467,2.159676775710816,3.6286464227220767,4.899069335300111,5.694509951853319,6.101687104090209,6.2897926817579,6.36001002932555,3.1289300786625964,0.7682476128887719,0.0259390961117756,9.3111543076591,5.018062850185927,5.346817043120143,1.7476681011854964,2.5379175958815106,5.433304080882941,0.3598029409598271,5.416341123560127,0.4778617261673664,19.885646798604096,-1.06011181371676,-2.4843467324673534,-0.3598029409598271,-3.9385353413953768,0.2259996674954877,-19.885646798604096,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.393578636210265,10.05778383975663,10.727328873799545,11.393915519575774,12.049921810538404,12.688946341271873,13.306013191494118,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_48,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583002605589799,0.7806519120285992,1.9144370161828688,3.627493604225773,5.331243364970598,6.460388692439552,7.050294246729268,7.324890558879157,7.427687225002522,3.007044749804558,0.603760561570034,0.0101829903877906,9.421337046955133,4.5565380887137135,5.367417462494963,1.2826486649147713,1.9556432725456088,4.078171359620168,0.1717070871504196,3.3193647245307427,0.5467972003173989,13.18255237008177,0.2438014774720569,0.3111744737874715,-0.1706612718642909,-1.132469757946622,0.4264976577834924,-13.158498618500806,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1889,6.932405612452998,7.717868476024028,8.493700497295547,9.255362989327685,9.999055658905762,10.721482854733535,11.419827603078664,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_49,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1428312103808546,0.7830864586421558,2.1075383246344,3.970104052990615,5.656813553108221,6.724663240806655,7.272140194953763,7.525033001786609,7.619416290144698,3.320768781479728,0.5893779415234809,0.0089238811073894,11.41927536050681,5.626021915433265,6.73723593935637,1.572621513798715,1.6491471321440785,3.4095192577531264,0.1164858733549708,2.5810341189838457,0.5275842196419497,10.575453127819811,0.4842883985943705,0.8461870419228491,-0.1164858733549708,-0.4475985882453961,0.4460441082934702,-10.575453127819811,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.221404678689384,8.036784430910417,8.837317945039873,9.617170423138395,10.372246108257476,11.099651229189298,11.797380510750294,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_50,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.243846657454207,0.9728628268762328,2.1679960896744914,3.7744137301157856,5.275143889189686,6.244123624778353,6.745041462040469,6.977210117989098,7.063974686890373,3.209088644520277,0.7730435158791606,0.0262942394942752,9.795686433192524,5.225439817744491,5.619177674020434,1.7544053352579287,2.5501600027931235,5.4615593392657935,0.3634889141732714,5.458071316179296,0.4774712769919513,20.020578297431044,-1.084729138939592,-2.537203231352417,-0.3634889141732714,-3.992640452325764,0.2230290370706614,-20.020578297431044,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.21349066859062,9.876700543653286,10.542493063332753,11.204079834251369,11.854961964864408,12.489491945076356,13.103136435630454,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_51,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2409182821930997,0.9696730068701054,2.160025614439692,3.625712629873915,4.894246007140217,5.689786352310795,6.097428943020373,6.28584285041667,6.356190174266205,3.127199547018892,0.7686325219130246,0.0259722907860594,9.285141157241462,5.00666687863918,5.334567809193203,1.748574792308953,2.5860821288009914,5.543206842349756,0.373239592265445,5.571998866924552,0.4738967687433215,20.395202489313856,-1.1463137938534596,-2.6701244700393416,-0.373239592265445,-4.1322305319770205,0.2126290541575103,-20.395202489313856,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.396149344147252,10.064239338847193,10.736544796270143,11.40498179831046,12.0621335065049,12.70177560929964,13.319075814250542,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_52,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2405397618996222,0.9684966220154292,2.154491109879081,3.610034606286529,4.870963966941547,5.663677942132641,6.070529384441801,6.258727731909793,6.329018624969601,3.1151357037208136,0.7677495990149926,0.0258950677823583,9.18466457113139,4.947093206236397,5.302597974990107,1.738241855693227,2.4278325006103505,5.194862796330278,0.341471441053128,5.159604029035376,0.4634331916471625,18.96859132411432,-0.9868819099209298,-2.319393829193153,-0.341471441053128,-3.7186534383459535,0.2244031829099731,-18.96859132411432,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.39711513021474,10.061514902852544,10.730986308284704,11.39727368675744,12.052815438842316,12.691270951417703,13.30771669663634,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_53,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0984793497411718,0.7013995162498592,2.120060119087438,4.073236494603006,5.75389086965918,6.786858186510489,7.30941628323376,7.549420679224895,7.638786317173391,3.405246191282102,0.5063924887594056,0.0035049136919696,12.142676607944644,5.392208636284934,7.407766009572109,1.594777240370575,1.0007703731722783,2.175919055667945,0.1746177650379834,2.3977124934761465,0.1179345066154448,8.496207166621062,-0.7454072772075563,-1.6666356652307013,-0.1746177650379834,-2.142349397511424,-0.0042979289111434,-8.496207166621062,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.85992589147235,8.656461348883258,9.442716588056406,10.21439464962696,10.966839303817949,11.695670948188758,12.397195402547172,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_54,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0982382359255052,0.6987883228403372,2.146943546616565,4.149613856536738,5.836135917643448,6.853651155175235,7.3632243356821885,7.596163008708426,7.682725388896806,3.468732800032603,0.5039365409579889,0.0035030782361263,12.549683375302136,5.637116669042059,7.722185860751578,1.6346602485049957,0.8498270552566625,1.8121970921111337,0.1138060294666768,1.760275290990077,0.1650417348729435,6.52525586561685,-0.2882332394101062,-0.6921637654384132,-0.1138060294666768,-1.198681475143521,0.0853775142462697,-6.52525586561685,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.441284545772867,8.301788508085956,9.146944174333813,9.97083489025333,10.768468561898748,11.53579866356722,12.269771788960584,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_55,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2441369929973967,0.9736686120421452,2.169775198313738,3.7756147255670673,5.271967383493722,6.236306071413093,6.734349646698875,6.965086993618941,7.051301330686452,3.210950055495932,0.7737181751747314,0.0263286483973701,9.787164043957643,5.226376498345651,5.610753615312409,1.7562460991456648,2.5359308615576355,5.4275171362111205,0.3579975269177949,5.399911076899993,0.4813636586804944,19.83960484614408,-1.0440444076203146,-2.4504046023289554,-0.3579975269177949,-3.9080246229626736,0.2307653898380383,-19.83960484614408,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.212670762654756,9.874656007794169,10.539317449139654,11.19991437732352,11.849964522495394,12.483819375089718,13.096934997204132,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_56,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0988505212946428,0.7009950302008016,2.1475721853345844,4.14844212666742,5.83862288136383,6.861178475461869,7.374093731871368,7.6087401724516095,7.69596572894883,3.4675876816027595,0.5058768631483727,0.0035356002636781,12.612631705062713,5.610697836343284,7.788550979390881,1.6347694081976782,0.8090880197987539,1.721831495028714,0.1049613022026644,1.6487784374200696,0.1635321969740926,6.144666143047059,-0.240525002227891,-0.5878965398180633,-0.1049613022026644,-1.0802154198492069,0.0900592854322274,-6.144666143047059,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.4861676754958575,8.338391641608917,9.175448878316836,9.991780107743743,10.782595352915209,11.543936659948896,12.272761547044858,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_57,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.098514177837412,0.7010127912746084,2.1127664702786,4.050262545944419,5.717728388517102,6.743791493460437,7.263288341308797,7.501988368821418,7.590884850830681,3.387851422568433,0.5063065238928408,0.0035054816935424,12.02753418062215,5.315113879520424,7.372183803776277,1.5822736732975462,0.9894519129956438,2.1570673510350247,0.1782271058012649,2.415268759405764,0.1061302779056897,8.511801681003519,-0.7928191450170055,-1.7649127902168271,-0.1782271058012649,-2.2186359914271248,-0.0186286961551956,-8.511801681003519,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.8528696106625295,8.651262716972461,9.43862685558841,10.21087635622506,10.963528770623212,11.692337894240962,12.393706765076828,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_58,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1436546784187798,0.7864462721789359,2.10970739467092,3.9808452160421512,5.691584897662055,6.7810646846207385,7.341204191446795,7.600267504192942,7.69700307755806,3.326257913392057,0.5922960413977616,0.0089313000608437,11.585039875707617,5.5558714115441,6.931071566721819,1.5775143386438193,1.646503023120242,3.4051653347629247,0.1173766242251944,2.585516016921797,0.5247642365204042,10.580047600105098,0.4727367808682973,0.8222316828429225,-0.1173766242251944,-0.4662762129332585,0.4426005995627682,-10.580047600105098,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.142660467821962,7.955120844279885,8.753191550782926,9.531378815852117,10.28573022115486,11.013348853429576,11.712135256852084,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_59,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0982675197864001,0.7001481453759373,2.115991296165342,4.0666384446882144,5.746632365994554,6.779970324195748,7.302944962583754,7.543191677830517,7.632655671414032,3.3993158302840287,0.505516383015186,0.0034930895484203,12.150493852490426,5.357546630185902,7.439944569297256,1.585384978401866,0.9809946985658758,2.136523887192475,0.1746608763325481,2.3782817092262607,0.1090534977382869,8.398191019480342,-0.7656140647596056,-1.7069795201609397,-0.1746608763325481,-2.1629010754199904,-0.0132091156944966,-8.398191019480342,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.801051349584934,8.606589950000759,9.400863015503768,10.179488842598175,10.93784621573324,11.671649881657146,12.37732291292211,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_60,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583179586012422,0.7806491017725428,1.9143740549423287,3.627375395330764,5.331107805539523,6.460252157599464,7.05015916435011,7.324756491657434,7.4275535856712604,3.0069407506195107,0.6037661591816115,0.0101876684961262,9.42073018892927,4.556225453487557,5.3671035440447605,1.282588581986983,1.95569044129583,4.07826996051803,0.1716999349788486,3.319223314682835,0.5468108173537738,13.182251086724769,0.2439893054251251,0.3115826025754774,-0.1706402921952923,-1.1322592813645551,0.4265148985902242,-13.157879302702977,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1889,6.932454901523793,7.717909470596624,8.493735032965494,9.2553923411469,9.999080747781958,10.721504374789024,11.419846098570918,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_61,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583334944049373,0.780158949543195,1.905612603448536,3.606014482637159,5.303382220442544,6.430587117341328,7.019974514560587,7.29442274255192,7.397177671139404,2.989350633497743,0.6036940636549673,0.0101700195597928,9.376987563155486,4.509960524920676,5.366607976245061,1.2721564772897678,1.983996205916726,4.142208130865868,0.1766826493792893,3.3614916166561857,0.5460314188168023,13.345736664284848,0.2360990722790192,0.2958695976451448,-0.1728967773482519,-1.1868268028328897,0.421974977048196,-13.25866160757099,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1889,6.959254224451214,7.734299323293087,8.50258734143059,9.258802033772762,9.998596480769203,10.718279172095643,11.414739880230613,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_62,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1424903060394444,0.7815151980822643,2.102908903987009,3.961148101440076,5.6448665342629685,6.7113476809373385,7.258271736353494,7.51094133361783,7.605246375715354,3.3132268007237053,0.5881796803535088,0.008904102551567,11.373633355125683,5.601585048217529,6.710317017187387,1.565942719122721,1.6534804821804632,3.419891714207008,0.1181640570800317,2.598792938820717,0.5263663915539237,10.630683552502951,0.4718399113801458,0.8196301928512287,-0.1181640570800317,-0.4734725452601077,0.4436515515979016,-10.630683552502951,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.19157109319935,8.015126826431365,8.822368452341255,9.607761909426753,10.367425720878122,11.098626062897276,11.79948286057789,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_63,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0979550204793466,0.6991686815893,2.113308870783244,4.059592340248265,5.734939249409757,6.765131057878259,7.286442280332706,7.525910295415005,7.615082085328925,3.393920734690853,0.5046774735438134,0.0034705030548315,12.069994706497818,5.349136969674446,7.37543108821986,1.5837883085854227,0.99818934888123,2.172230781877694,0.176033068482762,2.4064538967433267,0.1141322568469686,8.511608114061392,-0.7621413359463901,-1.7014684272810952,-0.176033068482762,-2.170405883808486,-0.0090908910909646,-8.511608114061392,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.834812566317395,8.639006088621372,9.432503635678133,10.21074743866856,10.96895218798633,11.702701727285923,12.40832603926914,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_64,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216744330115208,0.8957147831503153,2.1047631950131795,3.728417547364656,5.173694917198207,6.0841338356076085,6.550344977193479,6.765635012451967,6.84597789870884,3.1672717989422794,0.7055018182300645,0.0232457397626508,10.06260381065817,4.866782857010296,6.061231577287811,1.597063634460672,2.015925419993744,4.430269715887484,0.3974829094993849,5.195788695988822,0.1518063565858692,18.029285289956416,-1.9589036750001048,-4.316548398759419,-0.3974829094993849,-5.138766950995184,-0.1264316800636999,-18.029285289956416,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.343914934955691,10.172012677137936,10.965375618406398,11.721892207829768,12.44037312790707,13.1203396352424,13.761896180952398,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_65,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.158138949070568,0.7792940352137594,1.9035701012371544,3.603411423940716,5.300903733201658,6.4282058889251,7.017616136025235,7.292066379164991,7.394820547712372,2.9868073041995418,0.6030139707528828,0.0101602783069338,9.339369828603138,4.4892903505458905,5.349297313377832,1.2684132775264,1.9594760671008584,4.086937651515904,0.1719319596669252,3.3151825325566144,0.5465605514849443,13.176771893203862,0.2505507924735248,0.326358720584176,-0.1698530952585414,-1.130102045882837,0.4260002932772582,-13.128958011811031,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1889,6.974471059955519,7.749575035519487,8.51755624248696,9.273321512014087,10.012639107042713,10.731868920839547,11.427917323834729,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_66,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2446861904880269,0.9750551285684208,2.1755500665792464,3.7959191672605375,5.306263734011547,6.278256701109729,6.779771200160673,7.01200616623517,7.098762399771823,3.225693726257789,0.774901574039081,0.0264085920844667,9.97763514059653,5.299107766155217,5.711262721587322,1.766360498166997,2.5281085942899493,5.403887070095624,0.3502311391324787,5.32995770734978,0.4918309835806935,19.645165754099324,-0.9742027970348376,-2.30313126670692,-0.3502311391324787,-3.776051910094668,0.2466691861879586,-19.645165754099324,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.192410876292826,9.852656769867078,10.516030496243962,11.175806792269508,11.825457472099895,12.459264179591052,13.072609478066315,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_67,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2408501147512515,0.9695768556802392,2.1599515154352007,3.625644289742128,4.8941615755169146,5.689684670883423,6.097316731436809,6.2857254313782365,6.3560707590242735,3.1271326483789843,0.7685360430421802,0.0259538062316184,9.284895487852282,5.006454125068119,5.334429759546032,1.7484424567812622,2.585977948307854,5.542972001991457,0.3732133219488983,5.571684523899041,0.4739001280106101,20.39415618051724,-1.1461552711811296,-2.669781218421467,-0.3732133219488983,-4.131861846772317,0.2126508026463814,-20.39415618051724,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.39636326126765,10.064418634919322,10.736697119108817,11.405112793900104,12.06224740339728,12.701875617525118,13.319164402147496,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_68,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2403439736330597,0.96801649947155,2.15230340009482,3.605181046663511,4.867095401696036,5.662551416305236,6.071431736364186,6.260704525268944,6.331418161468143,3.1109036291486727,0.7673596293117202,0.0258560831264611,9.160280898895437,4.929681204336043,5.294911425837976,1.7346064746488477,2.440137285820685,5.223425540634304,0.3453729450152356,5.2031208459425695,0.4615991280410896,19.10814532940814,-1.0135921643316712,-2.3766857083573623,-0.3453729450152356,-3.776575724453555,0.2198380665304249,-19.10814532940814,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.413651502061398,10.078803563733326,10.748863278523258,11.41558825796273,12.071422294826505,12.710030773864585,13.32649956133767,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_69,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583407610724722,0.7805195054555738,1.904736427653312,3.600349081612204,5.29555874867725,6.423112745562393,7.013213260881557,7.288112140529007,7.391054746630049,2.9852516657415755,0.6039263875884372,0.010163574821956,9.284230435733347,4.460395721085488,5.31734472386724,1.26650224260775,1.907465731798992,3.9700501357161335,0.1604535874406483,3.185961424401817,0.5471992220155707,12.731001387040845,0.3056314399832248,0.445130481192364,-0.159913270922505,-0.97934805083732,0.4348276791553025,-12.718574107123548,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1889,6.952175426733713,7.733385871419993,8.505351336864624,9.263667807393228,10.004577576060488,10.724766006746425,11.4213621982841,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_70,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2162122367405223,0.8927412775018022,2.08999592870347,3.70196390020918,5.140820175071155,6.046708502902244,6.510111615997517,6.7239696876414765,6.80375479008578,3.143940679530388,0.7035966922441497,0.0231640607684681,9.96187118956176,4.812241407167601,6.018735688365475,1.5772837064237348,2.050428627920021,4.50008467538893,0.3984562140974716,5.238078340699794,0.1653353379916501,18.22126742154954,-1.9341335130546944,-4.268151513057265,-0.3984562140974716,-5.121783225834468,-0.1135840118765796,-18.22126742154954,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.376279730239675,10.206842047818151,11.002499362415714,11.761032156082033,12.48117557580596,13.162412887932703,13.804843406781837,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_71,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0987919440146771,0.7012863403686208,2.1545200349229834,4.163117230602743,5.854342338426197,6.874994842184259,7.386275586023653,7.6200292055309315,7.706900158446297,3.480347312168264,0.5058097914685252,0.0035391940667946,12.623737940597016,5.680508918911279,7.755850160713864,1.646347812200202,0.8511382717430654,1.813801864474404,0.1128263523021824,1.7537490901605248,0.16745679499221,6.512218404758976,-0.277125251278759,-0.6690006876383179,-0.1128263523021824,-1.1797360696962187,0.0884783483806824,-6.512218404758976,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.439640840761446,8.294444651080534,9.134835703264514,9.954829311226284,10.749351410575642,11.514266148553045,12.246428859693614,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_72,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0988546353392409,0.7010090208304587,2.1475663571672925,4.148410058057675,5.838577180153042,6.861127361420079,7.374040511775645,7.608686103344575,7.695911361081392,3.467563203531561,0.5058905197088222,0.0035355934882234,12.612233609996617,5.610645824364749,7.788263844529808,1.634755816359374,0.8092121491692281,1.7221315384302116,0.1050122035110227,1.6493097772574103,0.1634921645970107,6.1463048160665945,-0.2409098859409992,-0.5887166061756696,-0.1050122035110227,-1.081007514029181,0.0899836221392948,-6.1463048160665945,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.486208832715741,8.338438815262068,9.17550182239991,9.99183825453746,10.782657939706018,11.544002835179356,12.272830449544252,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_73,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581868827538388,0.7794126295349095,1.9037017729511287,3.603539256871638,5.30102809371892,6.428328009579322,7.017737120413692,7.292186846481631,7.394940823702743,2.986936487315792,0.6031216851047113,0.0101657289907519,9.339608253486473,4.48969375506843,5.349362756894279,1.2685879993554223,1.959415293249836,4.086800814926901,0.1719179738807459,3.315023242840391,0.5465618143667355,13.17622841949786,0.2506228394189091,0.3265141630643488,-0.1698405168854393,-1.129914594115324,0.4260114869506828,-13.128446908605808,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1889,6.97447650154596,7.749579354695962,8.51755991291122,9.273324800743492,10.012642148913113,10.731871774114776,11.427920006770204,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_74,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1428303107517076,0.78312753208041,2.1076749662426337,3.970321341924812,5.6570662472443445,6.724928180935762,7.272409408778839,7.525303823898639,7.619687659151951,3.32096439337774,0.5894045353338458,0.0089218166805077,11.420505226330484,5.62668236615209,6.737864881137319,1.5727712987787903,1.6489224991394658,3.409003933490216,0.1164205969074786,2.580287274399295,0.52760592147491,10.573024433846902,0.4847165300646788,0.8471081598307563,-0.1164205969074786,-0.4466482451951509,0.4461115036396751,-10.573024433846902,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.221482030327914,8.03683891751782,8.837357011798122,9.617199571461375,10.372269368540753,11.09967149887946,11.79739981311148,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_75,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583528219484758,0.7801702165190179,1.90563206016636,3.606055857656017,5.303432288283425,6.430637738712429,7.020024172586125,7.294471697087546,7.397226323141345,2.989385706375318,0.6037080885913527,0.0101748300380426,9.377391975771577,4.510090347867885,5.366889848080975,1.272213987824098,1.9841726248799925,4.142598730921549,0.1767105912710221,3.361781745119112,0.5460401091459551,13.346848120033233,0.2360538752903279,0.2957725202745124,-0.1729131586469108,-1.1871244364381268,0.4219629519938285,-13.259507169678674,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1889,6.959544170918285,7.7345340737561985,8.502781384828861,9.258965030567426,9.99873512928821,10.718398291406526,11.41484305411918,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_76,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0982606660926796,0.7001192487704901,2.11594828994554,4.066563811695199,5.74652923235755,6.779852684441736,7.302821132817662,7.543065277439384,7.632528358174349,3.399253054096363,0.5054912786135816,0.0034931476819498,12.15008989831788,5.357296456390215,7.439780750572405,1.5853163030943955,0.9811691871979508,2.1368954749852467,0.1746837630061915,2.3786392912474823,0.109088232666479,8.399521196113586,-0.7656684428639641,-1.7071115655227604,-0.1746837630061915,-2.163138546913496,-0.0131904014378548,-8.399521196113586,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.801165342770889,8.606692288433248,9.400954382502006,10.179570051630895,10.937918153830111,11.67171345800453,12.377379018480442,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_77,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583475335193054,0.780543296023935,1.9047689260020628,3.600402938803267,5.295644128434916,6.423221268791196,7.013334191897092,7.288238888978867,7.391183677709401,2.985296056183918,0.6039470035336579,0.0101639066467518,9.284715666082862,4.460557496114998,5.317649923270986,1.266533366023849,1.907482422135608,3.9700910751993472,0.1604670231417578,3.186154014289384,0.5471922920890161,12.731558794572337,0.3054777659708125,0.444796525066595,-0.1599339080912012,-0.9795912067896412,0.4348120643847301,-12.719297148409536,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM1889,6.952181810202169,7.733399263433911,8.505371983904524,9.263695295183789,10.004611119791852,10.724804651810292,11.421404952312535,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_78,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1424953950078353,0.7815249959365176,2.102917387743883,3.961140531815537,5.644845039185334,6.71131869048438,7.258239280358573,7.510907357174863,7.605211844352008,3.313225117040251,0.5881882316660476,0.0089048983280884,11.373611823190537,5.601573177147684,6.710285135628068,1.5659488916056334,1.6535218011429895,3.4199832654313616,0.1181729106849739,2.598905086622781,0.5263686851522705,10.631067219414426,0.4717926942932501,0.8195269158949537,-0.1181729106849739,-0.4735905911865414,0.4436476476727888,-10.631067219414426,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.1915271009228405,8.015085937770266,8.822328271037307,9.60772063487392,10.367382096496804,11.098579307496085,11.799432586301624,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_79,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0987488681718397,0.7003142652791671,2.1471962998894654,4.147898546732371,5.834525508134986,6.85315474307642,7.363615066186226,7.59703517608616,7.683788762509335,3.4674926578126515,0.5053390169905078,0.0035352290604792,12.553908913525506,5.622272553512371,7.7458557936303185,1.6347234559862005,0.8099532129687006,1.725963128432125,0.1072948717627991,1.6683121870710935,0.1595472700840035,6.195663500099486,-0.2629955046592904,-0.6351163180415862,-0.1072948717627991,-1.1213544787616836,0.0844408598500442,-6.195663500099486,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.445674659319197,8.302644220169753,9.144329084837,9.964942547000364,10.75959534249385,11.524305591270984,12.25604828674341,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_80,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2405334559854354,0.968479353723286,2.154473331782412,3.610025263315981,4.870966699436512,5.663690380622152,6.070547394795586,6.258748448769865,6.329040373141093,3.1151228064737504,0.7677341475112682,0.0258945293095227,9.184676700348115,4.947068306288774,5.302614968906063,1.738244649406616,2.4278755307524422,5.194957048908647,0.3414796462428522,5.15971270069526,0.4634362948341505,18.968970578619253,-0.9869209316760796,-2.3194801360813617,-0.3414796462428522,-3.7187581016188975,0.2244005424641542,-18.968970578619253,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.397311101963393,10.06168175601793,10.7311297058792,11.39739787300783,12.052923678378312,12.6913658127211,13.307800238887804,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_81,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1432323137310277,0.7846783064200265,2.112772798904323,3.995076003133722,5.716188068430853,6.8124380595845615,7.376121165420781,7.636837530319848,7.734192582128379,3.336547916336505,0.5906734799890538,0.008933597599028,11.611947443023444,5.642609424799247,6.895695642681293,1.576833257446138,1.6495326331661988,3.4114972055238564,0.1176598264482601,2.59081124475228,0.5255209626892088,10.600859694796195,0.4729343686835972,0.8223315414201386,-0.1176598264482601,-0.4683442429024835,0.4431590841754266,-10.600859694796195,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.185365786316932,7.999700298937926,8.799058783670642,9.5780235372242,10.33270048665407,11.060248917154691,11.758627062792575,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_82,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2162286361721765,0.8927861465824591,2.0900532406488512,3.7020156934706,5.140864383132469,6.046749376915315,6.510151356450115,6.724009038167515,6.803794016549825,3.143995435382173,0.7036362989097535,0.0231656183589521,9.961926359941865,4.812407627984491,6.0187093280189865,1.5773497340562266,2.0503855488502407,4.499995583725569,0.3984531327301303,5.2380106106912825,0.1653219453693625,18.22099039885381,-1.934145778451063,-4.268172797629969,-0.3984531327301303,-5.121770840292105,-0.1135952475417284,-18.22099039885381,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.37630166245214,10.206862051917362,11.00251790592938,11.761049610750488,12.4811922179562,13.162428911133375,13.804858938676263,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_83,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1436720879712826,0.7864839262168483,2.1097745711573004,3.980945536051369,5.691707546482786,6.781198433613839,7.3413428606031985,7.600408284652673,7.697144620869688,3.326347780277445,0.5923289055862788,0.0089340836013939,11.585746497957995,5.556144848167733,6.931468203509604,1.5776234766261044,1.6464868676232711,3.405125451966966,0.1173691592489435,2.58544014161482,0.5247719546435344,10.579817523095228,0.4727952751338358,0.8223560707311536,-0.1173691592489435,-0.4661579988577125,0.442613543169274,-10.579817523095228,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.142589088452892,7.955064213914759,8.753145932375691,9.53134174259726,10.28569998483798,11.013324210096853,11.712115257666932,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_84,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2407552008610348,0.9692180865351352,2.159738419629658,3.6287419815636217,4.899203576691016,5.694670045498143,6.101860712877851,6.289972586316067,6.360192291815071,3.1290121269526985,0.7682895624850542,0.0259358951332447,9.3116809300652,5.018265419159987,5.34709091500235,1.7476771409860266,2.537910196639102,5.433285741161753,0.3597994577039521,5.416305858270718,0.477865189051527,19.88554013727456,-1.0600843804004192,-2.48428842133172,-0.3597994577039521,-3.938480042032036,0.2260055686587607,-19.88554013727456,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.39348805446205,10.057702610546617,10.727255148717694,11.393847973955811,12.049859484157803,12.688888522979388,13.305959339553404,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_85,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0979834829243182,0.6992215202930396,2.1133383173224125,4.05961712560585,5.734967904584874,6.765159576408828,7.286469468889163,7.525936555696283,7.615107947241596,3.393944583170136,0.5047306354349977,0.0034732323356514,12.070076479183133,5.349231482968648,7.375480561358289,1.5838187789379845,0.9977894927848676,2.171383830401599,0.1759850587929295,2.405669963128304,0.114044339052523,8.508648639782928,-0.7620610951444282,-1.7012589005673886,-0.1759850587929295,-2.1699415654878647,-0.0091452021025274,-8.508648639782928,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.834782922805626,8.638980587332423,9.432482767330423,10.210731343794938,10.968940743585549,11.702694631791118,12.408322884819082,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_86,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165772743763403,0.8938810660934167,2.0926141338542776,3.708674560234409,5.152901929184763,6.062625825513729,6.528065632635028,6.742874820493196,6.823016190996617,3.148949853280031,0.7045508674280514,0.0231965145979562,10.019433097128006,4.828820751762974,6.057144188281837,1.5811626367308769,2.069745944748269,4.543455534564582,0.4031558468452014,5.294992719509881,0.165119732578227,18.411846660645377,-1.9618125237037447,-4.328198516304435,-0.4031558468452014,-5.187059298465356,-0.1170893602134136,-18.411846660645377,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.40654606176336,10.231563721817672,11.021989629490689,11.775752455330457,12.491657677670272,13.169205780869495,13.808478939619796,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_87,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165496446363319,0.8943510037583615,2.096703364168939,3.712258810709769,5.151590452529483,6.0580994646222495,6.52216586375202,6.7364311023271535,6.816385822426416,3.1535977855506494,0.7046971544396918,0.0232095096375519,9.988691584766112,4.834627901531477,6.027651526066437,1.5866893725300362,2.0177205543850296,4.43373570177951,0.3973722021529622,5.196698171608728,0.1528127676645339,18.036046814984395,-1.9560014671445924,-4.310646240141544,-0.3973722021529622,-5.1349790843682905,-0.1253477738425393,-18.036046814984395,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.385530806331024,10.212902507473016,11.005247158745286,11.760552739141922,12.477698166449708,13.15625323846191,13.79635827723497,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_88,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1432464689208015,0.7846827485438599,2.112771553261759,3.995098457174693,5.716236569117714,6.812501933980434,7.376192365775855,7.636911975451786,7.734268215169039,3.336560656752656,0.5906819697229235,0.0089373498739896,11.612250221522922,5.642741112845765,6.895850111474821,1.576854061115705,1.649520278756914,3.4114676535560733,0.117655057754401,2.590760740792123,0.5255245049897559,10.600702548872594,0.4729697012129039,0.8224069270404457,-0.117655057754401,-0.4682707608223045,0.4431659645616753,-10.600702548872594,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.1856846670807855,7.999965183357207,8.799280944831692,9.578211366359042,10.332860343992328,11.060385715353195,11.758744665654804,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_89,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165716471996356,0.8944113777670715,2.096770078464987,3.7123168538067737,5.151646492036442,6.0581576173678,6.522226001859085,6.736492347514899,6.816447510331543,3.1536583906258926,0.7047511612963485,0.0232112626742693,9.988830252668528,4.834813569986984,6.027713730129646,1.5867736344859449,2.0176733963731848,4.433631420338853,0.3973622780399721,5.1965716206929615,0.1528103900611193,18.03561254266537,-1.9559493840265367,-4.310532136315315,-0.3973622780399721,-5.1348476083463135,-0.1253432045668609,-18.03561254266537,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.38556677602078,10.212928884439,11.005267066227832,11.76056831958149,12.477710879579815,13.156264068333432,13.796367878169024,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_90,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2441380649747032,0.9736519265366286,2.1697216756012976,3.775551261265119,5.2719055808369815,6.2362456876017465,6.734289814199824,6.965027362184908,7.051241765096534,3.2108874116419104,0.773708880298153,0.0263288595812823,9.786866188849237,5.226164534670662,5.61060361546558,1.756181114009922,2.5360214948713566,5.4277236827942845,0.3580225772333996,5.400202112738553,0.4813560641102168,19.840559019024774,-1.0442042774626397,-2.450749300966836,-0.3580225772333996,-3.908384895329837,0.2307402600468374,-19.840559019024774,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,9.212475283808756,9.874495821610132,10.539185721072412,11.199806083144669,11.84987577416774,12.48374704461036,13.096876501463589,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_91,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.098751237174286,0.7011827716858908,2.154408029590267,4.162992349599906,5.854200261629123,6.874842546488905,7.386118567324384,7.619870144377312,7.706740358678738,3.4802283335172235,0.5057145110200432,0.0035361013718199,12.623078700627474,5.680036510373621,7.755464274633346,1.6461701673831934,0.8513254346262501,1.8142467081665,0.1128957925942378,1.7544917753801526,0.1674093844868489,6.514543025016005,-0.2776324913161282,-0.6700839136818523,-0.1128957925942378,-1.180798832070031,0.0883823296708825,-6.514543025016005,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1889,7.439574335849885,8.294380198348659,9.134772306390865,9.954766275617194,10.749288325114629,11.514202836744849,12.246365319851424,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_92,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0982270658098906,0.5715004184611961,1.5171411772285104,2.724192749516731,3.808930794008776,4.513142478487173,4.880744110326587,5.052094629159041,5.116296200718111,2.309701078897258,0.4263263229545436,0.0050926387286188,7.4270521183104705,2.156242339700816,4.797316486185981,0.3532092271772826,4.176224879768565,9.00978014025807,0.6530132380955523,9.330511604784578,0.6511082608427415,27.2483453603854,-3.8003844786183874,-8.239349526284894,-0.6452555514568404,-9.043884599979586,-0.5364574589207451,-26.11554124573527,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,11.34901335554728,12.070327622588172,12.785074321023323,13.482942825464674,14.15606684156326,14.798968513478568,15.408235758309392,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_93,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.13142004804971,0.8725716910048478,2.5256806367875657,4.536588805911415,6.126204142508405,7.070363204701426,7.542334856314729,7.758172577822406,7.838411376838222,3.875089012723002,0.6334480596380095,0.005821439914463,12.540266179673536,7.360131933830599,6.954786238776531,2.36726695735818,1.2376394504508446,2.5577703653634,0.0860793747497511,1.9262744484488536,0.4094079422316694,7.048990999751734,-0.8761127501226857,-1.8373561096194784,-0.0860793747497511,-1.5647477481206946,-0.2647972621004059,-1.6449924818691504,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,9.042183244565978,9.74039282776278,10.432165669008022,11.116065850093076,11.788676853867214,12.445824794078042,13.083431640018416,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_94,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.131926123144059,0.8741259571821877,2.5280806560809967,4.538726590391224,6.129322973035614,7.075351174032571,7.548684152420314,7.765241885547328,7.845763981232653,3.8773131368590312,0.6347702900994227,0.0058658836968121,12.5338627634551,7.366390912089431,6.947180833365542,2.37220988404821,1.2257683058466564,2.532174972256278,0.0842202756016084,1.8995305106595235,0.407517655975599,6.971044285249367,-0.8647408586047665,-1.8127555781373648,-0.0842202756016084,-1.5385030634176335,-0.2631066770788431,-1.5717149990887556,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,9.005988447011285,9.70721588813498,10.401308479782832,11.086983631366918,11.760971373765324,12.419220769959162,13.05774853004655,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_95,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2579666140553057,0.960140875531356,2.252068235010757,4.14325674344749,5.897271245798458,7.012836946939055,7.584802716200282,7.848901926670817,7.947444159724051,3.475408469418095,0.7652130890729189,0.0358086674625934,12.421955486119984,6.244043249525478,7.103911336377149,1.6204527488263656,3.583174743155812,7.712961240860457,0.5486139279258172,7.97208616656235,0.5994138099397625,23.40201299503724,-3.48867328621428,-7.524648187613065,-0.5486139279258172,-7.877584709620819,-0.5616132271631499,-20.959608523735813,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,10.591384630351316,11.51778606857753,12.38993194705259,13.205495360410316,13.964214366872774,14.667286159287116,15.31689204726483,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_96,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0982556305543566,0.5715358058700273,1.5170933063551004,2.7240565510339896,3.808745524040177,4.512935249550742,4.880527517308956,5.051874066076279,5.116074208437265,2.309590598483068,0.4263687308425811,0.005096082311489,7.42634322809017,2.156031297529639,4.796870682739022,0.3531752047265089,4.1763086067635244,9.009961358429065,0.6530382252494619,9.330916080467622,0.6511165192863531,27.249295853631857,-3.8006367950302606,-8.239903896036555,-0.6452939665503956,-9.044303243773625,-0.5364713846087522,-26.11705600183246,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,11.34933167668236,12.07059095788652,12.785294822105644,13.483129485378528,14.15622642955571,14.79910619939646,15.40835554090936,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_97,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.097414788215867,0.615247246106003,1.7694081383084472,3.360168009408022,4.832549892875465,5.789358721195109,6.287100012166357,6.518581995416192,6.605220349776284,2.8043142263302143,0.4497374043421142,0.0048651341378694,8.809856202780466,3.442027898518393,5.374338016929456,0.8400789562314226,4.957485627681082,10.962206795417078,0.4420505422789474,2.01672973040299,0.4697252400601225,14.094559678338983,3.5229886832149244,7.930792158183513,0.2776339283332383,-1.812626831547121,-0.388084080517775,6.497380626231273,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,10.478235429600431,11.206049004565608,11.93324719395362,12.64929948381558,13.345452994957457,14.015097295084315,14.653687525538995,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_98,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0981855513084316,0.5710999294561518,1.5140756211536217,2.713418113052993,3.7905176843603936,4.490767224781944,4.856738680420747,5.02743832487482,5.0914140878687375,2.3019162860305658,0.4260799989915548,0.0050896418983245,7.34214345591328,2.127911155456576,4.753986973009332,0.3503492160158499,3.39383172220316,7.304208076399289,0.5063408576448168,7.309800287236985,0.5634972067268809,21.718131163172984,-2.890470086068796,-6.259674751269549,-0.4913677136309603,-6.978629807261971,-0.4310290147368751,-19.846064087733183,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,11.36631036176663,12.093422392332048,12.812644941436115,13.513682327278026,14.188819581503203,14.832782509911905,15.442365868317683,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_99,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.097411996115067,0.615238625066599,1.769391625712531,3.360152972556269,4.832544251170566,5.7893618023822535,6.287108240104167,6.5185927385196925,6.605232052721431,2.8042973850743014,0.4497304586573242,0.0048648085628347,8.809753969113865,3.442001863488514,5.374309671986074,0.8400830775848712,4.957369608020505,10.96195075079528,0.4420287209948987,2.016462683395563,0.4697202476163709,14.093816300688538,3.5230231104049827,7.930878365930473,0.2776531337366715,-1.8124112943831328,-0.388099692011399,6.498535865297297,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,10.478135099724518,11.20596774772303,11.933181274935029,12.649245951486504,13.34540949912315,14.01506195286437,14.65365882202984,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_100,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0981116762306387,0.5708740996306304,1.5127455356635469,2.705877990188392,3.772761343317301,4.464757859062447,4.826054680417351,4.9945038222632006,5.0576256245619735,2.297203011769096,0.4258938258219211,0.0050825514552585,7.314788023442282,2.117435858602784,4.739949610413679,0.3486962109063899,3.3620277318041456,7.233959889481007,0.5011789717967403,7.252386588091888,0.561281561622057,21.54409156812037,-2.8798984302569943,-6.236564893971384,-0.4879486475649425,-6.922406015210411,-0.4292893324694666,-19.67091607075432,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,11.39049671599638,12.115696132173245,12.833328708447704,13.53302864022957,14.207021868473149,14.849987164362236,15.458683468377698,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_101,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0981284546361269,0.5709305699079481,1.5128371260842786,2.705993197787312,3.772901279544316,4.464916157972254,4.826222984137764,4.99467685025342,5.057800429991468,2.29731014144468,0.4259408524116246,0.0050839397643482,7.31524322197162,2.117674327525331,4.740215252364668,0.3487835530696085,3.3620450929988883,7.233996613970291,0.5011955089246954,7.252692346793045,0.5612796050125963,21.544707979833447,-2.8801071462139265,-6.237030985761679,-0.4879825291909837,-6.922703666945768,-0.4292841330736859,-19.672356944030103,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,11.390432761225682,12.115639697175146,12.833278179948268,13.532982911850418,14.20698016174089,14.849948911479505,15.458648237848289,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_102,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1319259828261511,0.8741157905931917,2.528076077025317,4.538763526564511,6.12940147622109,7.0754563041206415,7.548803099114201,7.765367265815533,7.8458917719228545,3.8773344277498833,0.6347632361364901,0.0058659666648406,12.534184114360862,7.366524731883861,6.947360446738008,2.3722775504613924,1.2258201793960397,2.532288574736736,0.0842300954237375,1.89966094278594,0.4075229856958153,6.971401851217573,-0.8648045834316963,-1.8128927966585888,-0.0842300954237375,-1.5386453468215964,-0.2631167473100779,-1.5720837625031456,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,9.006120917597537,9.707325890148017,10.401400674432244,11.087061564317434,11.761037767989276,12.419277740271411,13.057797737555166,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_103,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2564217368376116,0.955210557395054,2.235561246826028,4.107841154975933,5.845450030895514,6.95054438794415,7.51706645745978,7.778631805760153,7.87622519786288,3.44643887020662,0.7612966384814872,0.0356114567567906,12.190070723891823,6.165465310657862,6.978359463914983,1.6027496772666272,3.652803015324827,7.866170429586702,0.5625216080698036,8.152975879883256,0.6045147677136575,23.88923115732217,-3.562506729793262,-7.686237021407949,-0.5625216080698036,-8.062679594351689,-0.5683962535010313,-21.563978915919943,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,10.719663852804516,11.641516781081402,12.509660317315143,13.321459142943716,14.076471244325958,14.775804934814015,15.421611834789976,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_104,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2558116910517982,0.953714419382774,2.231763748342785,4.097139667334595,5.824172974388642,6.920706218111103,7.482360529539899,7.741578085336877,7.838279925572035,3.4387206002773696,0.760032374888653,0.0354846996507581,12.12851903807844,6.139762174428214,6.939488711871815,1.5930342315839476,3.686017853790758,7.938898394751546,0.5687999709231727,8.236417621176141,0.6078751818862786,24.11808897818552,-3.6017150197345256,-7.770908137327692,-0.5687999709231727,-8.152114787119908,-0.5741540482637857,-21.80742286594945,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,10.69465387911361,11.62405983359831,12.498135040321923,13.314584474838997,14.073229802058458,14.77538687299606,15.423372172843704,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_105,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2579248698954443,0.9600269679200392,2.2519167234156527,4.143076613856235,5.897068105760681,7.012618974002407,7.5845768921956225,7.848672407826134,7.947213250228495,3.475237574025697,0.7651119477517501,0.0358051745916837,12.421331010347007,6.243394125706545,7.103663870974571,1.6201988579520952,3.583315848856841,7.713269370790384,0.5486398512309824,7.9724346587046995,0.5994276845492235,23.40297775659403,-3.4887959865109384,-7.524919641093703,-0.5486398512309824,-7.877914796358797,-0.5616197396108624,-20.96080965361408,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,10.5912806048242,11.517690458680583,12.389843668582165,13.205413457297745,13.964138027610966,14.667214710877898,15.316824937333836,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_106,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1307112941208331,0.8683312205732335,2.505975357547958,4.493136927167064,6.062694489119885,6.994080938669776,7.459378019124083,7.6720966849285155,7.751165238215653,3.839624469626821,0.6305779739886876,0.0057623492669787,12.30779207708474,7.197578428340488,6.861931308858693,2.3324164047989173,1.2774166078513471,2.644762980076399,0.0934887516093099,2.0253266207258265,0.4138679924450394,7.321970555349836,-0.9276440073497932,-1.9477711190569529,-0.0934887516093099,-1.675554020224273,-0.2739589522444179,-1.9059925759027287,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,9.102656952760997,9.798332735837302,10.487814179505902,11.16962938702942,11.840309055003717,12.495631042870974,13.131481146426744,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_107,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0976440253069096,0.617590046786213,1.7732075887152523,3.3576920698866832,4.818140784770753,5.764589698652681,6.256205252387055,6.484675001284295,6.570159880096502,2.804915037491405,0.4513958596773318,0.0048782627583233,8.842206856591014,3.462222430411721,5.390435693889908,0.841735374538678,4.904029919994144,10.845299670537845,0.4362262249774186,1.9611046881980905,0.4618851189327915,13.872696775975635,3.5393944224081824,7.960193758633229,0.2785221118687374,-1.7372862195265566,-0.372357731464178,6.445439908270715,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,10.4080723025151,11.13876452255406,11.868923195862775,12.588021490913585,13.287272097067856,13.960016589785097,14.601662822506954,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_108,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2561306358013422,0.9565886315188348,2.247412957839335,4.132603901718993,5.872677540870738,6.975209270870034,7.539353658807465,7.799598290691057,7.896664269850467,3.467859229552615,0.7619415156380127,0.0353684817612354,12.33426017804228,6.229364895174097,7.045208512990457,1.6120173801292703,3.7087838678339993,7.98890873161373,0.5732555367593611,8.29482816190889,0.610011976436599,24.276474706763608,-3.6319951654472833,-7.83589188436772,-0.5732555367593611,-8.218039459522174,-0.5792964954819124,-21.96791174591887,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,10.640954582376471,11.566303667299517,12.43788151468186,13.253066966576409,14.011410312607191,14.714002859276436,15.362976954215078,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_109,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2561513102797798,0.9566445717433202,2.247464588268307,4.132614842651325,5.872651139412316,6.975161166698029,7.539295003860964,7.799534884424791,7.896599109301466,3.4678851568800746,0.7619917400963536,0.0353701805875467,12.333913317664464,6.229399466519614,7.045075014479418,1.6121367186369149,3.7087046458260975,7.988737431748489,0.5732426452898937,8.29464580814525,0.6100005608797744,24.27594968202943,-3.631923302131943,-7.835735248169145,-0.5732426452898937,-8.217864464451093,-0.5792880234021122,-21.967368659632847,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,10.640570672653125,11.565956322022172,12.43756155321325,13.25276847744149,14.011129502734422,14.713737270211928,15.362724948430587,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_110,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1306963995153802,0.8682967801352064,2.5059572888228776,4.49314794254783,6.062719620710551,6.994110682632498,7.459409253773885,7.672128452806241,7.751197182960365,3.839627000208659,0.6305455494376665,0.0057608709370164,12.307981749386506,7.1975557992912185,6.8620760721690965,2.3323932240656213,1.2776285241421583,2.645222344405413,0.0935243233355544,2.0258231108265936,0.4138970782702681,7.323385854066337,-0.9278547562593726,-1.9482281571453868,-0.0935243233355544,-1.676049342943808,-0.2739875711171538,-1.907428852191944,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,9.102525731301132,9.798209995935023,10.487700323833902,11.169524358390316,11.84021250723418,12.495542464821025,13.131399946681563,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_111,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.098185632947559,0.571102932908537,1.5140859472578667,2.713435081569823,3.7905391712288417,4.490790598149244,4.856762644085549,5.02746246634428,5.091438279781789,2.3019311578442583,0.4260818163380939,0.0050896419548995,7.3422242821112125,2.1279393040178425,4.75401582936693,0.3503513907114017,3.3938817099573595,7.304323002124397,0.5063370971459954,7.309619747321266,0.5634967539673698,21.717875795037283,-2.890236879159456,-6.259163649515511,-0.4913416816122113,-6.97842219516188,-0.4310177331036147,-19.84526311608792,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,11.36656601530166,12.093632532775146,12.812818967948033,13.513827322614164,14.188941000734294,14.832884629214806,15.442452086283502,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_112,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0981694411711174,0.5712236808856872,1.5147723427986066,2.7156263273386183,3.794718450913496,4.496230191194732,4.862792950753721,5.033747657957006,5.097815352167188,2.3034805505409253,0.42614223749269,0.0050854060769325,7.399631727601967,2.1407981728732257,4.7874371506530045,0.3506523877481841,4.171473793250077,9.000225901013904,0.6525341950292595,9.317747745935018,0.6497201068032151,27.210045165595,-3.803479879329565,-8.244144060669429,-0.6443120164126891,-9.044308886105068,-0.5403445628712344,-26.03099759123269,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,11.365384902233126,12.084595633098116,12.797498541762351,13.493763942879472,14.16550274969228,14.80721246795126,15.415456471068596,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_113,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975153759883295,0.6163389737615449,1.7701713558912628,3.352128218351791,4.810833071459771,5.757070449652464,6.248931451589703,6.477602585531204,6.563177283952983,2.8002580355232256,0.450506031020741,0.0048720628445188,8.769881952834814,3.431005404930805,5.353749229185727,0.8400771453965565,4.959111161360174,10.967821165569596,0.4411149942115718,1.97580416054685,0.4668315279366585,14.011509521736162,3.568884525376025,8.030668728295632,0.2824657785113059,-1.7689873601237438,-0.3841048077674163,6.631456891609994,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,10.460809335961734,11.188530513623329,11.915801839878696,12.63207333208816,13.328567180316764,13.99864672080496,14.637742296638123,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_114,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1310352619199283,0.8689949585240414,2.5053606419889363,4.489999330721953,6.059314084549571,6.992051959961069,7.458517506207272,7.671884166912309,7.751211957352281,3.8372191452693536,0.6312455872005738,0.0057918879090959,12.297250994133456,7.184949375426774,6.865128948144529,2.3310912287327827,1.2768397119427553,2.6435209251666314,0.0933987375123515,2.024029612041568,0.4138150378239855,7.318185934837292,-0.9279714396755022,-1.9483311190196768,-0.0933987375123515,-1.675161339774315,-0.2742677289170843,-1.8980544274870983,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,9.087813040398183,9.78343839340408,10.472944508893868,11.154840467207682,11.825652070186065,12.481155844693305,13.117235548863984,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_115,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.097685849793426,0.617700713070805,1.773364236245789,3.3578792522624594,4.818347876912289,5.764807368903775,6.256427909924135,6.484899879310221,6.570385574465651,2.8050930332570507,0.4514927704541533,0.0048829265677729,8.842816075101572,3.4626699709412403,5.390700208336693,0.8418859302172189,4.903852705477553,10.844906664484023,0.4362198074874764,1.9612210957586025,0.4618674684737267,13.872551439818752,3.539102394641535,7.959545510955029,0.2784902002479416,-1.737431084596821,-0.3723514640090143,6.444417094428453,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,10.407787214434864,11.138519581041123,11.868711151879271,12.587836800790935,13.287110400442602,13.9598743798623,14.601537231334229,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_116,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0974853704354731,0.6160902871410692,1.7707802790203644,3.3582848022132348,4.82381318618619,5.774415752053613,6.26843159753477,6.498071192449303,6.584002503864069,2.8040854445911867,0.4503282366535395,0.0048671706604015,8.867996788897349,3.4554585789921592,5.40849431637124,0.8381128236190329,4.814203043773752,10.644661451383536,0.4279656426686102,1.9411692575911488,0.4572634854204492,13.658234147981396,3.4423117111010724,7.74651775450205,0.2716742381682214,-1.7305131323398892,-0.3730010353199454,6.353297341709544,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,10.397628727900528,11.130579758172736,11.862351440833626,12.5826052285261,13.282686358879396,13.95603095257771,14.598114564201891,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_117,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2563899569720748,0.9551450840884224,2.2354820051294824,4.107749773178413,5.845350755532984,6.950442372352487,7.5169637057093,7.77852885964397,7.876122202121492,3.446351509737207,0.7612365472296251,0.0356046648589062,12.189207913946104,6.165176521986384,6.977981784336768,1.602778361320271,3.6525269766951367,7.865568240548833,0.562471485705947,8.152298862342711,0.6044860534542889,23.88734974053516,-3.562259306832038,-7.685691854812638,-0.562471485705947,-8.062031192479614,-0.5683789855090498,-21.56170746525609,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,10.71952786242944,11.641392845170166,12.509546281143823,13.321353535668312,14.076373004885582,14.775713255260454,15.421526069839286,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_118,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975145699664216,0.6161497969944066,1.7708275411601957,3.358308792779595,4.823823146939166,5.774419569011225,6.268432912001828,6.498071480244149,6.584002428123783,2.8041165923908657,0.4503848304201449,0.0048707986514279,8.86798620531953,3.4555336527152565,5.408466619599808,0.8381476019936653,4.814299526352239,10.644883731917307,0.4279723365031992,1.9410784107304224,0.4572579624440661,13.658221445615895,3.442539394399676,7.747015592917021,0.2716943087909575,-1.7304059108613092,-0.3729889624964209,6.3537378377806615,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,10.397542016392668,11.130499762631738,11.8622763073686,12.582533735122333,13.282617726814276,13.955964706261726,14.598050428480178,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_119,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.131428283671314,0.8725837259427279,2.525665388973822,4.536536042898776,6.126133656628847,7.070289258974109,7.54226125680464,7.758099595390906,7.838338696635126,3.875047340038359,0.6334613960817174,0.0058225051735374,12.539991919759188,7.359941476814947,6.954794477835329,2.3672867913943247,1.2375792194863886,2.557642628854596,0.0860720230410112,1.9261554038144788,0.40939396391693,7.048616327842055,-0.8760546584802398,-1.837232636137644,-0.0860720230410112,-1.56463084280833,-0.2647841395144706,-1.64476832046959,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,9.042310946615324,9.740501410064274,10.432257868224312,11.116144023408916,11.788743036415196,12.445880743739966,13.083478872648378,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_120,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975280187193836,0.6163526507527315,1.770151263929819,3.3521069324352664,4.810834904361402,5.757092768663505,6.248965469549859,6.477642236941762,6.563219072294412,2.80023265828207,0.4505242702372931,0.0048731250513088,8.769964110533401,3.4308850077354967,5.353871783447416,0.8400129858542448,4.959103017794737,10.967792671378,0.4411169250432422,1.975960851257116,0.466846411948736,14.011836683344468,3.568716027900261,8.030299241734816,0.2824472490549309,-1.769129807691111,-0.3841139945223343,6.630894425981993,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,10.460912649678718,11.188618185597036,11.91587712231384,12.63213840568295,13.328623614359923,13.99869572388146,14.637784851807943,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_121,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1310332147182851,0.8689727772483443,2.5052894935169387,4.489889107768037,6.059188630192935,6.991922440636967,7.4583870171085636,7.671753433107123,7.751081161771847,3.837119114251046,0.6312308170928969,0.0057917727731546,12.29656396470014,7.184539950824124,6.864784440136715,2.3309432236168126,1.2765941784481274,2.6429929140143984,0.0933616695583523,2.023487534914946,0.4137721688516532,7.31658758782416,-0.9277170114394752,-1.9477853833162573,-0.0933616695583523,-1.6746103679062938,-0.2742213020481924,-1.8967318118872865,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,9.0879804635066,9.783587691410483,10.473078267318142,11.154960867635904,11.8257609377904,12.481254703891992,13.117325675573325,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_122,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2557930956739712,0.9536640839891514,2.231704374159867,4.0970797607055855,5.824116306757543,6.920652364919691,7.482308169350746,7.74152640939864,7.838228503062939,3.4386602440520897,0.7599870823253736,0.0354832366979891,12.128454739753106,6.139524296652117,6.939564574022304,1.5929436762826694,3.686113513420735,7.939108339254309,0.5688185607117102,8.236661999114416,0.6078828798910475,24.11875317422077,-3.601807642520274,-7.771112030310961,-0.5688185607117102,-8.152356128213956,-0.5741605315308634,-21.808261037218347,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1889,10.69488042538304,11.624260868108408,12.498315637509744,13.314748263540176,14.073379450368222,14.775524398670935,15.423499144483609,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_123,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0981510045267438,0.5711970216853919,1.5147987277044694,2.715716041221329,3.794858234759855,4.496400765574963,4.862979173665675,5.033941080909719,5.098011457635633,2.3035498078416907,0.4261115992961072,0.0050835820323827,7.400133208529234,2.1409374987689382,4.787761769286985,0.350681530193059,4.17139265202931,9.000048131106638,0.6525195775488292,9.31755894935716,0.6497130577396487,27.209514948488348,-3.803422791398736,-8.244017079930568,-0.6442984305418532,-9.04413227930681,-0.5403423897195087,-26.03033872539071,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1889,11.365408740297942,12.084621376988984,12.797525522014087,13.493791602346615,14.165530641930689,14.807240245112208,15.415483869024255,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_124,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0745781147863732,0.3780638804123903,1.32545952270628,3.188115398568733,5.093569101554897,6.344579281396826,6.993176611357817,7.293936725653194,7.406342326906892,2.49662761451042,0.2797453102821186,0.0056881413550421,10.086493874630875,2.973758189940749,6.316296319905771,0.5217501357622415,3.741728803528799,8.033411830290083,0.3785423570738709,4.983904758555105,0.7305341796830387,15.871797056335415,-1.430223872092179,-2.845070902231029,-0.1684055451250872,-4.983904758555105,-0.7305341796830387,-3.271379520628118,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,15.161119028081377,15.900702670374692,16.553546665359423,17.135738152974064,17.6592505242772,18.13314029370454,18.56437522548784,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_125,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0631597459213662,0.3735922746686355,1.2659700658439632,2.830535922848703,4.392107031049711,5.419784356780041,5.954800747343858,6.203481875875493,6.296523013527504,2.2595337029454963,0.270680304137575,0.0039582284072645,7.226231498629233,2.2444675050414378,4.437869179534953,0.2934445084035039,7.212308143859815,15.707822397035484,0.7824039974361683,8.3604352517963,1.0962945900806784,27.943903570362178,-0.597937133614935,-0.8613856193764683,-0.181097541959361,-8.3604352517963,-1.0962945900806784,-5.778650308481351,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,13.975834775148249,14.858861795369425,15.65349485871617,16.36944801369658,17.015389657766477,17.598994895887753,18.127037818801767,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_126,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.081400471733956,0.362859289977109,1.1414457767819075,2.7759586543252026,4.566420395971865,5.783551390559019,6.424241387127299,6.72325402650361,6.835297554266855,2.1523918103586586,0.2777411696115391,0.0068460675526319,9.408330517483764,1.8751663641628376,6.495033447767385,0.2501122355895553,3.540256426971191,7.448528880700467,0.3766198231121873,6.55321501186869,0.8616066255825563,17.70128213485596,-3.540256426971191,-7.448528880700467,-0.3766198231121873,-6.55321501186869,-0.8616066255825563,-8.662105482997159,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1889,15.82253953107864,16.481384365202796,17.059684070339827,17.5734175154083,18.03451721203782,18.451963428398265,18.832566884732177,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_127,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0813794787859584,0.3628268912935752,1.1414458623915391,2.776000725083392,4.566481752311944,5.78361821864017,6.4243095379292505,6.72332250523869,6.835366113345495,2.152421888540621,0.2777077751530623,0.006842543730223,9.40878744472774,1.875216225554748,6.495373253591856,0.2501156980500252,3.540480431972324,7.449004980343063,0.3766482511310522,6.5536664410207415,0.8616542515505388,17.70240215986162,-3.540480431972324,-7.449004980343063,-0.3766482511310522,-6.5536664410207415,-0.8616542515505388,-8.662975419312032,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1889,15.824340203433634,16.482959829214742,17.061073654594804,17.574652549592244,18.035622729099167,18.45295952009736,18.833469765980787,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_128,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0745417286322128,0.3780057115236824,1.325438738141787,3.1881299703946127,5.09359972981837,6.344617896852073,6.993219297252956,7.293981333936474,7.406387662222769,2.4966329969480405,0.2796860612379404,0.0056825419937901,10.086776990064608,2.973841654297198,6.316451848420843,0.521747381883785,3.7417547263686814,8.033471704744569,0.378553213621886,4.984047213181851,0.7305287256201652,15.87197380840977,-1.4302882035709064,-2.84521698766876,-0.1684198933675428,-4.984047213181851,-0.7305287256201652,-3.2720849362202364,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,15.159328919708104,15.89911927202993,16.55213971842512,17.134482074296173,17.658123887087605,18.1321252003965,18.56345671246677,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_129,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0810669435374285,0.3765412813052675,1.230074774158315,2.9669822237846404,4.834096022272398,6.0954936538333815,6.758138279255268,7.067169072474182,7.182934408659024,2.3103173880293526,0.2845246414366823,0.0067549916733947,10.020040948523096,2.142418442492418,6.920364749076612,0.3850805688544387,3.524977510734446,7.40525619202199,0.3642097217754871,6.438655284938342,0.8779061705206002,17.624887553672227,-3.524977510734446,-7.40525619202199,-0.3642097217754871,-6.438655284938342,-0.8779061705206002,-7.8697929706118686,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1889,15.52283381236,16.211567720787777,16.817439051551897,17.356141100876425,17.839625246410918,18.277025476347024,18.675359037729105,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_130,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0630423933914236,0.3751438170220028,1.2772767496735782,2.8564249319843973,4.430336706214591,5.46553486836812,6.004323847502065,6.254728164553995,6.3484092249548345,2.280480082735364,0.2713829001005306,0.0039373855379304,7.368386736826718,2.3033105987695066,4.5147156221267934,0.3033778966445806,7.222183183632264,15.731625281749748,0.7825079527121642,8.331605044736351,1.0954938186913976,27.930484886630907,-0.5566467875704423,-0.770344074505644,-0.1765500985247259,-8.331605044736351,-1.0954938186913976,-5.636546906660249,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,13.5416283754872,14.466848205184611,15.29923401688341,16.048782579743918,16.724530503935593,17.334548059693603,17.88599682144569,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_131,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0630914986831136,0.3722026959007216,1.2640550974177125,2.8372837334122423,4.4126641165850105,5.450996459765802,5.991894050874195,6.243371556985894,6.33746815781698,2.262304102477089,0.2698147085246887,0.0039525612488588,7.301169545514507,2.25822324541471,4.503321434892194,0.2987699561393396,7.135611765841537,15.541816026937616,0.7690457371577569,8.16967389267942,1.0862183692583989,27.548988135004585,-0.5119245335279051,-0.6744683113018685,-0.1668923524019721,-8.16967389267942,-1.0862183692583989,-5.208844999585929,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,14.018067637082323,14.888812501125276,15.675234024999058,16.385603877028714,17.027676525763106,17.608546484403416,18.13461596062134,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_132,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0742302255030084,0.3782540027490939,1.3328898988248508,3.2141139447588616,5.139795019837535,6.404369344337899,7.060052981973713,7.364108301388088,7.477746726770597,2.5155067817000942,0.2795556211735849,0.0056320357526284,10.139902741304171,2.99917401889523,6.354937907949779,0.538085491384577,3.921586238437184,8.42926599305482,0.3935982534272564,5.070527046854857,0.7554938674586995,16.431706432597085,-1.3335512491425785,-2.620233238856584,-0.1583223453095649,-5.070527046854857,-0.7554938674586995,-2.885514523191661,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,14.877832567379448,15.649540797214678,16.330277225415102,16.93667756178917,17.481227742870217,17.97343637794451,18.420660365447592,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_133,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0742297758596995,0.3782376979359403,1.3328196725875996,3.2139799631723145,5.13962016565267,6.404175448531837,7.059851078362737,7.363903067435268,7.477540307271465,2.51539265539634,0.2795459442468948,0.0056320353567633,10.139167090472585,2.99885303432358,6.354496209958055,0.5379695433824426,3.9216505484466646,8.42941151394544,0.3936036948989976,5.070519743924067,0.7554977347152699,16.431845105745463,-1.333466548345445,-2.620044294154611,-0.1583142403443413,-5.070519743924067,-0.7554977347152699,-2.885282627771403,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,14.878295747485424,15.649948000451188,16.330637391954216,16.936998096286786,17.481514716913228,17.973694756773675,18.42089421619864,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_134,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.074335494060224,0.3804167919471126,1.3289115971549663,3.181145232966382,5.0692999790312046,6.306459130583768,6.947237573100733,7.244238561538003,7.355218523712033,2.494491352699906,0.2811750990286754,0.0056298384741588,9.99808187814935,2.9700984898931715,6.270119422783608,0.5414824895645797,3.663175441074433,7.863913973606341,0.3687898057537615,4.854800662667322,0.7173421718533286,15.522658554795427,-1.3872195035674644,-2.7553653478037714,-0.1618847205258554,-4.854800662667322,-0.7173421718533286,-3.050949864991166,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,15.396927315489776,16.10756566318877,16.73720218447463,17.300538770850913,17.808511375687033,18.269405005370544,18.689614352025668,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_135,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0743936846965656,0.3789652248457434,1.3219440248854553,3.1650796455447647,5.044214131986129,6.275329727415186,6.912909305661262,7.208409538620123,7.318825645069373,2.481717240225577,0.2803616512662476,0.0056471503203805,9.988116602462974,2.9535351172518194,6.261030870983157,0.5255258965742442,3.5398894060047668,7.5920799893054,0.3574715351327032,4.782114051169448,0.7014358862970655,15.13040078477574,-1.4465924654322504,-2.893522766412892,-0.1671718132624745,-4.782114051169448,-0.7014358862970655,-3.23211640905548,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,15.764681514014509,16.423009239994677,17.010395459638058,17.539081236553216,18.01827630753577,18.45501946316035,18.85478196814905,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_136,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0630412943104993,0.3751310978058399,1.2772609546568556,2.856401745908677,4.430305130636487,5.465500773601072,6.004289556318935,6.254694041762522,6.348375207035674,2.280460461258935,0.271373064535458,0.0039373821768807,7.36843663878198,2.303255303970489,4.514783686480098,0.3033608772636316,7.2223099401232815,15.73190478302667,0.7825267877219197,8.331810694755477,1.095506378053824,27.93100465515373,-0.5566806438203649,-0.7704150544350475,-0.1765604880580182,-8.331810694755477,-1.095506378053824,-5.637049997144096,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,13.54206263345933,14.467245236443976,15.299596779907818,16.049114202896984,16.724834038073368,17.334826355120892,17.886252476710922,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_137,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0743659896563654,0.3804865026029733,1.3289893775551227,3.18117261034914,5.06928059333242,6.306416512294944,6.94718511124116,7.244182010334804,7.355160518599797,2.4945384606803502,0.2812369250341948,0.0056344309922738,9.998002155630788,2.970129873115137,6.270074757390467,0.5415237706337738,3.663376501267445,7.864369597283499,0.368812722891533,4.854879025819868,0.7173510226203812,15.523177801533944,-1.3870245195758848,-2.7549320215053976,-0.1618716336468457,-4.854879025819868,-0.7173510226203812,-3.050774677309309,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,15.397862915676509,16.108383841211786,16.73792182375121,17.301175353185428,17.809077573456403,18.26991121405444,18.69006913465466,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_138,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0630928372325758,0.3722187227984411,1.2640756915632736,2.8373097650066743,4.412708972443205,5.451057695705773,5.991964587226723,6.2434465544168125,6.33754484421706,2.2623261866248403,0.269826880336193,0.0039525652800303,7.301394535918455,2.258280711351292,4.503517389585659,0.2987932359961513,7.135904905830272,15.542469991160772,0.7690762142734098,8.169836487700868,1.0862451480871498,27.549859260177804,-0.5117332051851547,-0.674034851120939,-0.1668787869420354,-8.169836487700868,-1.0862451480871498,-5.20856578236277,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,14.01685038637284,14.887700365851138,15.674219216049382,16.38467762472301,17.026830104210642,17.60777168873467,18.133905301119707,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_139,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0632300950625224,0.3726993083692498,1.2659301869082928,2.8385594830824887,4.410433344545969,5.445540415476417,5.984565545058988,6.235136506531172,6.3288886046704205,2.264232822025216,0.2701654563165356,0.003971114983047,7.283819111802133,2.2630147325419223,4.484946862875953,0.298356632113135,7.155260647762299,15.584500490198396,0.7727089534719631,8.2214128989992,1.0885194753756833,27.651654817249863,-0.5351767487120804,-0.7252407181329816,-0.1708831444673978,-8.2214128989992,-1.0885194753756833,-5.374068610627777,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,14.243824660190388,15.09753123455299,15.867711905605956,16.56290657109488,17.190983192081614,17.759051127075313,18.273469856219748,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_140,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0631583728982574,0.3735729835948121,1.265948717210431,2.830547973729049,4.3921516270895165,5.41984881576324,5.954875171311348,6.203560858037341,6.296603690020111,2.259533131282446,0.2706662345643953,0.0039582243740375,7.226517897793626,2.244467747231845,4.438100832183486,0.2934181306186865,7.211987788529337,15.7070958831805,0.7823741645360076,8.360437584730658,1.0962778083059326,27.943193351920684,-0.598343233122969,-0.8622896862396109,-0.181133750408156,-8.360437584730658,-1.0962778083059326,-5.779583671125044,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,13.976377226262263,14.859305600354348,15.65386425877114,16.369760301081868,17.01565733812005,17.599227151909744,18.127241500013472,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_141,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0813819917348968,0.3613906740260694,1.1345216450028377,2.766730898955699,4.557018646763116,5.7736930599401015,6.413934461826305,6.712684257608984,6.824620374780374,2.143445779228632,0.2769751117317853,0.0068453816081797,9.400979459820244,1.864333707614001,6.480889901437087,0.2365279352877937,3.5435178640529204,7.455872688400998,0.3774413815594413,6.5630489165284525,0.8613082434102243,17.7175893202646,-3.5435178640529204,-7.455872688400998,-0.3774413815594413,-6.5630489165284525,-0.8613082434102243,-8.703307388896295,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1889,15.132026308359498,15.87295672174766,16.52106584362659,17.094250171258874,17.60615282838323,18.06720654762228,18.485426697289657,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_142,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0744312686454953,0.379047535106768,1.3220751112785871,3.1652388127771287,5.044378940639822,6.275494916759813,6.913074304857473,7.208574399989025,7.318990448961247,2.4818706079136894,0.2804347184983652,0.005652848238817,9.988945185909724,2.953902698763661,6.261493887927909,0.5256329053767762,3.539991450646077,7.59229142703587,0.3574845775399039,4.782375168023237,0.7014642415744847,15.130997936792976,-1.4467653409563364,-2.893893189211089,-0.1671912948408365,-4.782375168023237,-0.7014642415744847,-3.232657596532942,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,15.770851999414605,16.428303122129158,17.01498767176719,17.54310251659863,18.02182651582916,18.45817630444644,18.857606879747586,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_143,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0813819736685571,0.3613908810025647,1.134524736558942,2.7667288826119822,4.557003582446084,5.773667607066397,6.41390331979439,6.712650428674344,6.824585535016288,2.1434469700451086,0.2769750965737503,0.0068453815930893,9.400832856953038,1.8643508103034248,6.4807391908531375,0.2365254944536422,3.5435799792947407,7.456008000071865,0.3774524734276966,6.563199766716313,0.8613149868376448,17.717899896473703,-3.5435799792947407,-7.456008000071865,-0.3774524734276966,-6.563199766716313,-0.8613149868376448,-8.703773243465056,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1889,15.132299751906526,15.87319664768784,16.52127870093672,17.094441068433134,17.606325802812627,18.06736477978056,18.485572684467805,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_144,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0810787849229063,0.3765664770886261,1.2301240999215122,2.9670345449644944,4.834121310282387,6.09549426809059,6.758124990341952,7.0671491650880425,7.182912005066201,2.3103736445092307,0.2845466876906852,0.0067569606761223,10.02021856990363,2.142467700471029,6.920492149758142,0.3850958999574314,3.5251207705087646,7.405557565994971,0.3642248864727769,6.43891986229098,0.8779422751540944,17.625603852543826,-3.5251207705087646,-7.405557565994971,-0.3642248864727769,-6.43891986229098,-0.8779422751540944,-7.870138200550559,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1889,15.52005041126512,16.209137340875603,16.815300872669532,17.354246903001858,17.83793651649273,18.27551119763858,18.673994015033827,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_145,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0812179130259248,0.3670212692026859,1.1910004214668173,2.933532602349452,4.832363878156524,6.117433753047448,6.792247213832115,7.106825303134768,7.22464428618251,2.2696122504231275,0.2794467042920461,0.0068096860618024,10.186734546393406,2.10153130055075,7.001244328859118,0.3082581527694139,3.270122137023125,6.857265425968902,0.3257311040860846,5.875970969711802,0.8353307955331031,16.350610685115626,-3.270122137023125,-6.857265425968902,-0.3257311040860846,-5.875970969711802,-0.8353307955331031,-6.450566600910294,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1889,15.447512822598425,16.15052560880453,16.766967051383943,17.31362537454111,17.803195693336452,18.24532622962105,18.647395142298063,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_146,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0811889149161399,0.3669664539379417,1.190940544173798,2.933477924209315,4.832315333918859,6.11738887994605,6.79220412529326,7.106783016716457,7.224602295626141,2.269555317137168,0.279395406083445,0.0068048534410166,10.186559169834076,2.1014246124938274,7.001147992240244,0.3082072186045108,3.270112665158064,6.857241973123072,0.3257266722065163,5.875926042810196,0.8353350725203182,16.35056332579032,-3.270112665158064,-6.857241973123072,-0.3257266722065163,-5.875926042810196,-0.8353350725203182,-6.450303728665826,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1889,15.446245418050031,16.149383994462074,16.765928987818853,17.312674451761918,17.802319502240312,18.24451514805195,18.646641524293468,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM1889_147,RSM1889.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.063229805181218,0.3726813288934324,1.2658507952776878,2.838446371835449,4.410325310485172,5.445443584858458,5.984475758241155,6.235050179841624,6.328803597205145,2.2641250090993554,0.2701555372076342,0.0039711148824462,7.283535155158384,2.262825565118136,4.484809908636687,0.2983118545907319,7.155274337257099,15.584530415013084,0.7727084574798712,8.221391574684281,1.088522365595025,27.65167395657265,-0.535150261194787,-0.7251804627220572,-0.170878996019661,-8.221391574684281,-1.088522365595025,-5.37388691591097,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1889,14.244617004224372,15.098231089383322,15.868333801075282,16.563462176121586,17.1914820153714,17.759501001260816,18.273877289232896,"[O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-].[Zn],hcb.cat0","linker [O-]C(=O)c1cc(C(=O)Nn2cnnc2)c(cc1C(=O)Nn1cnnc1)C(=O)[O-], nodes [Zn], topology hcb"
RSM0079_0,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0011681312174729,0.0938241520861872,0.7573706192281967,2.238507292569314,3.840774887119836,4.931270291756444,5.507397153652783,5.776898708771537,5.877992976193758,1.6770600463312304,0.0472750179678466,5.266684915376618e-07,4.497050344918616,1.277869799512198,2.8400282732517272,0.1759321667907677,40.06419460159207,96.54581681834,3.00582616179767,4.081759397760771,1.7056365459751928,78.02247058369107,-40.06419460159207,-96.54581681834,-3.00582616179767,3.717495479532005,1.7056365459751928,-78.02247058369107,-33.0,-81.43723800000001,-2.0,4.0,1.75,-37.0,-47.0,-111.40306,-4.0,-11.0,0.5,-113.0,RSM0079,20.560738063453243,20.74584674256753,20.89265186993728,21.01085592483308,21.107316380903924,21.186978785701825,21.25347541434416,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_1,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0014586577353635,0.0924149216843925,0.6664342659345156,1.929744513995114,3.3439567762861424,4.332661801944172,4.862166963057768,5.111382118599367,5.2051041679680985,1.4465357255554383,0.0485029647413113,8.690527766686099e-07,3.174875116477184,0.947568607322096,2.073356479478254,0.1561951276125816,39.97575618919588,96.35973777153708,2.996536598456553,3.9965365984565535,1.7456707480706908,77.85800053671865,-39.97575618919588,-96.35973777153708,-2.996536598456553,3.9965365984565535,1.7456707480706908,-77.85800053671865,-33.0,-81.43723800000001,-2.0,4.0,1.75,-37.0,-40.0,-96.4116,-3.0,3.0,0.5,-78.0,RSM0079,20.595651368094888,20.770740695877954,20.91096523834442,21.02476859200972,21.118237237828463,21.19583536197315,21.260888991692863,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_2,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0011704406606534,0.0939892836726377,0.7588922043620198,2.2418219929280383,3.844664952706382,4.935119731563238,5.511135837619052,5.780569114550948,5.881635365019957,1.6798875420880188,0.0473539519900288,5.286425303939953e-07,4.502790913948469,1.2836524883371905,2.841340594038173,0.1767901933846758,40.063392994793794,96.54402595737322,3.0056401259049244,4.079826106855113,1.7056985577118116,78.01358650039579,-40.063392994793794,-96.54402595737322,-3.0056401259049244,3.7201330940202473,1.7056985577118116,-78.01358650039579,-33.0,-81.43723800000001,-2.0,4.0,1.75,-37.0,-47.0,-111.40306,-4.0,-11.0,0.5,-113.0,RSM0079,20.77781359338825,20.96488923203508,21.113326434946767,21.23287049232429,21.33043042706528,21.4109986460862,21.47824627395482,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_3,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0014676191423945,0.0924761391813604,0.6639899365023065,1.921199082375984,3.3307845354457264,4.317321866504039,4.84594020033198,5.094794710070113,5.188389882848545,1.4401026386593505,0.0485942839125296,8.801136773824759e-07,3.1464460040449205,0.9375666181862264,2.0596425523428024,0.1558967560620494,39.976730659479166,96.36182235307712,2.996675808497023,3.996675808497024,1.7458447606212792,77.86370814837795,-39.976730659479166,-96.36182235307712,-2.996675808497023,3.996675808497024,1.7458447606212792,-77.86370814837795,-33.0,-81.43723800000001,-2.0,4.0,1.75,-37.0,-40.0,-96.4116,-3.0,3.0,0.5,-78.0,RSM0079,20.731099610357106,20.905602876902496,21.045241540749835,21.158501307770912,21.251482356299388,21.32865005428885,21.3933264348571,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_4,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0697955050452328,0.6445460997576941,1.795920774965545,3.12297285875476,4.279861957070417,5.027759645053454,5.418156299706906,5.600189112976247,5.668405514720989,2.6756446755954206,0.457059962346777,0.0013233697533342,4.655062139727495,3.709574032063704,2.0665933573167257,0.9420134320082276,7.377373746087589,15.832856429040472,1.041246717899714,1.484885546975992,1.201140222077349,42.26167606802714,-7.069443031765851,-15.072946523897158,-1.0225842503650633,0.4326210172245796,1.1964746051936868,-41.9164204186361,33.0,81.43723800000001,2.0,1.0,1.25,37.0,-14.0,-29.965822,-2.0,-14.0,-0.5,-76.0,RSM0079,11.275148461330106,12.159776144405358,13.005350188128796,13.804891305412625,14.553893962840103,15.2502855041421,15.894005812090596,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_5,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0697167821130154,0.6471613293646269,1.8575597145736145,3.356268676494158,4.723766933510077,5.624795889713756,6.098500306786986,6.319990021599324,6.403081624512146,2.84057842463234,0.457706493337187,0.0013040253652211,6.283281311998712,4.218486811984501,3.07417663782489,1.0375545208687578,7.677915985736708,16.61059891082364,1.0473095407006048,1.4242817992004442,1.1921408884809646,41.89313927261472,-6.533462606292218,-13.786322479256212,-0.977948729825181,0.4638137702241329,1.174800685762109,-40.60996427141938,33.0,81.43723800000001,2.0,1.0,1.25,37.0,-14.0,-29.965822,-2.0,-14.0,-0.5,-76.0,RSM0079,11.350556117824366,12.242012155941056,13.091123181096684,13.891582813045504,14.639541378610517,15.333496271096562,15.973850065054815,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_6,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0698266424463744,0.6445909101495828,1.7956900435125185,3.1226313706749,4.280551100035867,5.029737189754195,5.42097358468485,5.603432974508699,5.6718146546503485,2.6752254922341843,0.457121580164109,0.0013243028360662,4.653337829850949,3.707931452779834,2.067680679179908,0.9420039330478498,7.383399156640885,15.848280494668026,1.041473045419627,1.485256631205758,1.2009741100462263,42.2604815523482,-7.06004140114453,-15.050299813046738,-1.021875605692575,0.4317972779549881,1.1960747501144635,-41.89792891739773,33.0,81.43723800000001,2.0,1.0,1.25,37.0,-14.0,-29.965822,-2.0,-14.0,-0.5,-76.0,RSM0079,11.175425448993211,12.065773849408805,12.915896793246716,13.719130450740128,14.471199424221522,15.1701913015744,15.816156053462018,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_7,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0696013968188019,0.6467641906629453,1.8574536589717188,3.3558199649686684,4.721293922712301,5.6202431752141,6.092669243525633,6.313523578841965,6.396371054147165,2.8404625112273134,0.4573436234184614,0.0012997064872613,6.2778504886918665,4.218325734302458,3.0692899932723026,1.037651691907674,7.681521058328801,16.61905432898365,1.0475989921013389,1.427261138345546,1.1917165041430802,41.89936438294279,-6.532366504497661,-13.783176362343337,-0.977953261566118,0.4600299838746431,1.174305071509275,-40.6109183680412,33.0,81.43723800000001,2.0,1.0,1.25,37.0,-14.0,-29.965822,-2.0,-14.0,-0.5,-76.0,RSM0079,11.285093003251648,12.17812076713858,13.028542187976289,13.83008134599976,14.578918181817432,15.273580024843069,15.914498013921255,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_8,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2047044615946963,0.5562795487908966,1.280650559475219,2.5503292460727502,3.890069696741578,4.811115398722671,5.301870770508484,5.532439836324112,5.619093558125842,2.0793339306092093,0.4611254744711754,0.0424381733320927,4.800748162066908,1.7981901285185302,2.9459946817488105,0.5017807983952621,6.728007831243022,14.425713420489366,0.9777976917028331,14.168407029908778,1.10162429000136,34.94904263859205,6.728007831243022,14.425713420489366,0.9777976917028331,14.168407029908778,1.1011468120826635,34.94904263859205,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0079,7.189115839933328,7.902985339976741,8.568386857443313,9.187315629731328,9.761139217330204,10.291297890376605,10.779578671537626,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_9,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1915487774011703,0.653579407287563,1.5742741079766085,3.252391839257434,5.06234744511018,6.295074266014671,6.945380533950603,7.249232060040316,7.363146658071457,2.619861634913781,0.525956057644423,0.0300343601740955,8.196112982751037,3.43400368089963,4.881737517206155,1.196736648228217,7.159588174146544,15.57320320383846,1.0036819566962991,13.524028125809624,1.0008521404400403,35.900179268207246,7.159588174146544,15.57320320383846,1.0036819566962991,13.524028125809624,0.9808188206090136,35.900179268207246,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0079,2.505636114922204,3.14180889178006,3.813995702364016,4.503922299804333,5.197201033738916,5.883264597890276,6.554853180119987,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_10,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2044562260521129,0.5571380367914868,1.2836636413913691,2.551910254028439,3.889195155787038,4.809036795794156,5.29935111175945,5.529760311414389,5.61636160462555,2.081767240977073,0.4615334754699235,0.0423161780039435,4.79100561853527,1.80347128785958,2.946709091212273,0.5101634913871474,6.730432824665361,14.43052973149308,0.9777784455587838,14.170554848048392,1.1027204786480236,34.93561664369578,6.730432824665361,14.43052973149308,0.9777784455587838,14.170554848048392,1.1022428467216645,34.93561664369578,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0079,7.094259443153964,7.820630639998597,8.497261434807228,9.126087799330827,9.70855271463735,10.246225567531662,10.741035514281776,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_11,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1915571316802096,0.6534466633880326,1.5724301164658046,3.246351025189321,5.053219299694461,6.284700523334151,6.9345890419800185,7.238296889582684,7.352165704061181,2.615288785565428,0.5258910149963688,0.0300461293268475,8.171900379137517,3.420250157099108,4.871018383326338,1.193948532301476,7.142220708637727,15.533776730642684,1.0030633808225151,13.52101440135966,0.9980009442477642,35.92345522943955,7.142220708637727,15.533776730642684,1.0030633808225151,13.52101440135966,0.9782782511936252,35.92345522943955,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0079,2.513959970148489,3.148339475933565,3.81907598530262,4.507831786286406,5.2001623941394834,5.885453121320462,6.556406156013663,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_12,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2014386085037543,0.6990693020010686,1.326996022092792,2.416449285204758,3.7940962532672153,4.81889099172259,5.380864330391444,5.647808448928721,5.748556688029156,1.982490010899585,0.5776848739719098,0.0210407902117291,3.350919358726101,2.0744680704983924,1.8303501684335723,0.9687768974255164,2.555065335044971,5.331295407677036,0.1380515052528063,3.1181776707575355,0.7829448253738588,13.931095458544904,1.4439232889867126,2.886169555939442,-0.0841769039588454,0.2016326270165139,0.6888033553228053,-12.605679368301486,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0079,10.946375750617722,11.752879362390429,12.473442499716636,13.113567501382285,13.682307909142567,14.189800356434256,14.645877935275893,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_13,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2016288254046224,0.7014987576519424,1.3495629640894344,2.3753957784237563,3.573590596289085,4.442869239239694,4.916141890107549,5.140432526982547,5.225014712509107,1.981420531370388,0.57872618591025,0.0210746515665405,2.89511016659443,1.932372015120021,1.6592426085953578,0.9848712586512752,2.423467292582224,4.995740063225699,0.080513153325009,2.69197957444486,0.855854034425316,12.542134297583766,1.794394952177805,3.611433666404076,-0.0453013147558744,1.0329169303472838,0.8017249102071883,-11.743999290016715,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0079,9.937157668849244,10.723652206565204,11.423800685611464,12.043968295910638,12.593794421283304,13.083751791937676,13.523823288845389,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_14,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2013776860010226,0.6989676116055221,1.3268135490926778,2.416505579536811,3.794117308394664,4.818518402286706,5.380158668099968,5.646918123448087,5.747592441637828,1.9824457501671229,0.5775905041807725,0.0210282097338515,3.346445627180372,2.073928864845624,1.826100776966986,0.9688658326390313,2.577819775342718,5.385906543548948,0.1410793076852819,3.1375616804867774,0.7820299025135499,14.017026956414526,1.449135850476114,2.902178875315893,-0.0846574772880388,0.1736039975435438,0.685941911441787,-12.635193692725776,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0079,10.951283639607505,11.76063669702432,12.482774274849882,13.123693499794388,13.692752749317595,14.200277576238744,14.65621862415517,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_15,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2016271824535475,0.701530073078266,1.350145115032087,2.378185645032552,3.5788140886546875,4.449513796444864,4.923448947492605,5.148028692798862,5.232715955317947,1.9833161522295133,0.5787389893409577,0.0210737571204529,2.912052511742835,1.934748491154208,1.6711031071042226,0.986390680633184,2.4318283528471745,5.01580932832789,0.081438046617117,2.696206608631444,0.8556411192997687,12.566035889315108,1.798913254091317,3.623046741930491,-0.0451449731340544,1.0264319695441724,0.8009330479883806,-11.74339289036569,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0079,11.087178416109692,11.880815611030476,12.588815604445,13.217163123232147,13.77515805233697,14.273028828328174,14.720604884201691,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_16,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0200755249018491,0.2141253900884435,0.961122573570088,2.433487448842716,3.934263835076053,4.921467619516443,5.43443702154854,5.672612226347405,5.7616796930576175,1.8882435892453429,0.1419574388035301,0.0004118167530342,5.235249811565304,1.4863744571692328,3.1989924404493246,0.2066139578952926,10.386151464451666,24.60871795167878,0.8597141632026531,1.757618049792164,0.6936271127681474,25.73492587702696,9.566701837598147,22.89613638446973,0.7837573791814254,-1.757618049792164,-0.6936271127681474,23.07643843628399,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,13.981857218385136,14.925458904502204,15.770941748291456,16.52878938700928,17.20824592212104,17.81760374133324,18.36436597426525,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_17,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0182029507811384,0.2139007848548381,0.9762671888587968,2.4389083317834324,3.943427530009575,4.948529282885078,5.475609004635641,5.721404498543106,5.813491158635856,1.897849585530143,0.1395212001469644,0.0003306496969707,5.326266744404191,1.5441537880890956,3.2838183905008287,0.2106881562990324,11.04440109407514,26.04487333789946,0.9423027748037544,3.099911454903015,0.802316318099541,28.601845711235207,8.941215846559706,21.59090100670712,0.6906225458923516,-3.099911454903015,-0.802316318099541,19.793037699336107,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,14.06412608999125,15.027603313466065,15.893648466816582,16.669573066454124,17.363336231996946,17.98300288498205,18.536381175544086,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_18,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0202695576266036,0.216594148256077,0.8910022786252402,2.1867823790754373,3.5846030892941285,4.542703885316522,5.05049374579306,5.288319345179534,5.377572753196268,1.699252941515134,0.1446560180415795,0.0004118110997072,4.529065667310393,1.2172264872812977,2.8242159798629887,0.1676134230747986,9.932293717635702,23.653166203158307,0.8151755682139239,1.0453751790667116,0.5786366070356224,23.47357099190858,9.915879510295175,23.62043052874873,0.8151755682139239,-1.0453751790667116,-0.5786366070356224,23.47357099190858,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM0079,13.918690144025684,14.8401738370369,15.670149661053404,16.417326999402317,17.08966175377965,17.69449727790114,18.238633270322968,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_19,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2161419324235609,0.637067146727197,1.4077885492770583,2.6865005624230025,4.018729358220251,4.927993987438883,5.410734338794187,5.637174977561179,5.722221077275865,2.214691885785722,0.5245274147527982,0.0426071676077163,5.167609873201468,2.191714741869255,2.9273407108762868,0.4575422541147851,5.365649405119719,12.091545246087168,0.5784334242201121,4.647419937856422,0.6914666482950567,20.433758441625915,1.1560341226526645,3.134823190764198,0.0340392702014341,-4.647419937856422,-0.6914666482950567,1.379963050972182,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,15.77764626843826,16.564854865160655,17.263781447585732,17.883949974277442,18.4340695455951,18.92215722383005,19.355534229559733,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_20,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0985363978767823,0.3621911836056192,0.8738942181421712,2.063960112225365,3.568867131735974,4.662543959828792,5.25441000984444,5.533827334891755,5.639010923403665,1.5828940756344148,0.2925730563968955,0.0100479120360492,3.765825155163741,1.003884285966621,2.478782979052005,0.1418982547834308,9.165005243738776,21.83116096840693,0.6580028194029174,1.618166194317077,0.632186835128584,19.96539280955405,7.890537573245022,19.25681832808466,0.6263755396742475,-1.618166194317077,-0.632186835128584,18.8584380190506,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,17.01259463682731,17.3910064346527,17.742844211874086,18.0742981833646,18.388764456133625,18.68801887027512,18.97296650706152,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_21,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1031023658477575,0.3722212613773788,0.9361827382570992,2.2268200239022646,3.801153904714471,4.932155177915098,5.542461701426898,5.830370704524012,5.938727908148812,1.7132622424517516,0.3005394812619515,0.0109929016030355,4.490055490603769,1.2643251348515263,2.9519327262815307,0.1638641399333474,1.4064429059651948,2.9220252757613783,0.110522755422722,2.276733920626335,0.4162233604966975,7.003969438094015,-1.38792153433768,-2.877383398941296,-0.1091336525506583,-2.276733920626335,-0.4162233604966975,-0.6840048409742988,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,17.027877967058245,17.40309914263598,17.749578123658612,18.074165229778792,18.38082580525214,18.6718103906357,18.94840542133437,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_22,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.016625450183376,0.2103163455379443,0.9922763399792132,2.471881210641933,3.976038359180605,4.975503473086539,5.498493005297174,5.742168376722557,5.833429390767649,1.927266322818576,0.1349923366869558,0.0002796428822766,5.431768890880272,1.6742999127812823,3.2199321214260284,0.2375137607993334,15.159141377102683,36.24490769925887,1.2103133264867627,1.6699119341551083,0.8089254896046572,33.739200331475736,15.05148740583936,36.01435195582524,1.194934187734859,-1.6699119341551083,-0.8089254896046572,33.20093047515909,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,14.401770937984,15.359566039684402,16.213668666708227,16.97435481788536,17.651367859289234,18.25385239591749,18.79026667620812,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_23,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0388004824636228,0.374649152879882,1.3926533146802071,3.1413741936512176,4.888610018740812,6.046118613886575,6.6512802503237065,6.933143292441419,7.038691236288633,2.5045931463285145,0.2567581866287772,0.0008051848335713,7.891618841124123,3.036885194603507,4.622843265777613,0.5913445994980535,9.558990547616288,22.15247645289501,0.9135155787482454,5.1140759400928175,0.8881616962401746,29.39121544369789,5.3678451845394335,13.220536397597066,0.3574304772985793,-5.1140759400928175,-0.8881616962401746,9.928236892959582,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,14.289830741889212,15.26004129328423,16.12441258829522,16.893602175715547,17.57771968335566,18.18621698552132,18.72779394898625,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_24,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.021119743781107,0.2188680502377467,0.9031931918274074,2.246689604635256,3.730857866377284,4.765538421617005,5.318752220159906,5.5788950687177055,5.676687600632824,1.7373042947553994,0.1466977549052178,0.0004504229351456,4.986690777746812,1.2632176060080105,3.179934273666773,0.1954494673961606,10.017831105989096,23.82036998546549,0.8130620290871106,1.1452417870755731,0.6215996998839953,23.90139435920589,9.797273494944488,23.38050091387868,0.8130620290871106,-1.1452417870755731,-0.6215996998839953,23.90139435920589,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM0079,14.299744858345464,15.16455462685249,15.94347878054764,16.646336742416707,17.281160718498434,17.854815033746924,18.373371031116463,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_25,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1854431847845201,0.6172354021233243,1.4665347331384249,3.000808969313078,4.685785968867096,5.854910873474434,6.477981179663527,6.770486082960237,6.880364201464792,2.42074339856753,0.4987439429385171,0.0298019953775782,7.287572995607879,2.7099143543389643,4.413993768841404,0.542187001657896,5.06735394852204,11.328945169132252,0.588602143658126,4.784130896046238,0.6767017143596641,20.72812176059751,0.8383546570739194,2.29527993045876,0.0070748046663274,-4.784130896046238,-0.6767017143596641,0.3746648958845585,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,15.235993935220767,16.022054099922286,16.726341249406516,17.35772091744463,17.923895958126366,18.43181020145836,18.887802829166148,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_26,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0992982945966653,0.3690861021530691,0.946945247129745,2.1610517900456125,3.5470814958822183,4.513593806638728,5.028828661079677,5.270675714204453,5.361515997256446,1.6910626008076637,0.295880971188904,0.0102007058623772,3.68886742377452,1.1243441397513323,2.4022053764023164,0.1710234615050754,9.416409710280677,22.195789933421,0.7527864658235035,3.703985768030465,0.7468275840821159,23.318922499539884,6.216681768413639,15.473761936069833,0.4223817398861779,-3.703985768030465,-0.7468275840821159,11.754757091733486,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,16.066950316641698,16.43197311458707,16.77251166440378,17.094241121401314,17.4002453077078,17.692090221032696,17.97052656824824,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_27,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1032944121589747,0.4038999036066129,1.0280265978554446,2.190347166445489,3.5069197443507143,4.436500212251383,4.936087482821,5.171511858524228,5.260087338931859,1.7457518901834552,0.3186729332951494,0.010874626383044,3.745520089443817,1.138795431099339,2.6333228512621902,0.3888832683549452,2.027270324825993,4.263869752267456,0.2141433122411538,3.739830225363836,0.5006170030935401,10.136603023011986,-2.0266837274346057,-4.262614906312186,-0.2140595126138127,-3.739830225363836,-0.5006170030935401,-4.8504958469118415,7.0,14.974362,1.0,0.0,0.0,41.0,-7.0,-14.99146,-1.0,-15.0,-1.25,-35.0,RSM0079,13.996938132760173,14.319396770850927,14.62388191706786,14.914496611026282,15.193296621038446,15.461159087608245,15.718355949920882,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_28,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0200383174109855,0.21389873436223,0.9614319647255009,2.436666185770727,3.9403732123539847,4.929240296045084,5.4429803945477175,5.681491681037797,5.770681312161386,1.890294957220316,0.1417834979703434,0.000410373250921,5.2490588590889,1.4941291785362416,3.205195213598454,0.2080587998399258,10.396915505570378,24.635116732852,0.8602976623424994,1.750808245591467,0.6939897034466778,25.751016508478333,9.58457871681916,22.93794515201021,0.7855285464311204,-1.750808245591467,-0.6939897034466778,23.13409745158007,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,14.715324250433508,15.557323392311655,16.316115863581274,16.9999968154848,17.616206269380857,18.1712969177636,18.67130346206754,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_29,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0181631144074948,0.2135071249342345,0.9744210591721052,2.435826339124708,3.9404851858026766,4.94613399846557,5.473602545869886,5.719599512271155,5.81176470997765,1.895015235325208,0.1392700641931748,0.0003293573639716,5.317065351952767,1.5375273679150114,3.280013166796257,0.2084814251180924,11.035300875834691,26.016840371323987,0.942646958322148,3.1407497787163314,0.805502400990472,28.647808948018493,8.888009027303239,21.469249116105978,0.6854818899917657,-3.1407497787163314,-0.805502400990472,19.64703155645511,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,13.960125908900151,14.921343848512208,15.785762730998366,16.5604837504319,17.25333666061183,17.872302584287155,18.425133205172024,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_30,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0203251105634622,0.2168317383621952,0.8916205026707366,2.188699738454725,3.588629581147708,4.548442812251668,5.057207995767717,5.295504763692831,5.384937250137402,1.7005865784531715,0.1448446400795899,0.000414197025956,4.53485943938458,1.2187543312795963,2.8261877739341954,0.1671171621768159,9.871879278094053,23.50709159828145,0.810587040386385,1.0402080318579352,0.5764082353223189,23.35953749120563,9.85354274003071,23.47052212359481,0.810587040386385,-1.0402080318579352,-0.5764082353223189,23.35953749120563,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM0079,14.025962188906806,14.932658628462482,15.751930624221274,16.491246512640537,17.15772462111047,17.758137946433056,18.29889283522336,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_31,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2158947125190619,0.637085719534631,1.4078195904858557,2.6839607259278377,4.014152900574214,4.922885776245298,5.405604987530074,5.63209249892342,5.71716510815505,2.2131646082597465,0.524437907147895,0.0424863623781251,5.1587304012411535,2.185297233882297,2.928080697521384,0.4598941597555291,5.4177665445381855,12.216123548360835,0.5821297382773258,4.655073548666533,0.6947764541113466,20.54256198383785,1.2027977787946724,3.248713515805117,0.037724665004377,-4.655073548666533,-0.6947764541113466,1.488384419284639,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,15.321866479182695,16.168770447265967,16.91993921607542,17.586090923845145,18.176857534123787,18.700992260347306,19.166421805469817,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_32,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0985020991642676,0.3622770227989021,0.8766447183783976,2.072222830030998,3.5798048667329376,4.673694463519142,5.265252814849405,5.544438663234095,5.6495218887577945,1.589411144110493,0.2925669503140238,0.0100409615955733,3.7831421114629578,1.0156143461855272,2.4857121101137185,0.1450928700892652,9.122537469450206,21.732099625511086,0.6539232193455977,1.5870354831649724,0.6287573687240127,19.84499314770251,7.874031560187618,19.2134576222022,0.6261017208431149,-1.5870354831649724,-0.6287573687240127,18.87124070011561,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,16.85746979608997,17.26003401469262,17.630919155314785,17.977638977114207,18.3045159430266,18.613988240824792,18.90744378527542,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_33,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1030755842506706,0.3720611779107782,0.9336207736986268,2.218498309331203,3.789088639298503,4.918897821578343,5.528939232758799,5.816800967141861,5.925152347406746,1.7068964886201137,0.3004581370365777,0.0109872715170738,4.457346929599336,1.250933941562075,2.934091379764438,0.160588240102101,1.3983066686333585,2.905197351326809,0.1092442462516631,2.2551945978202186,0.4144482812263813,6.956832393486353,-1.3755519475314315,-2.850351874602046,-0.1075376421690186,-2.2551945978202186,-0.4144482812263813,-0.6305337012375095,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,16.825840026203874,17.232329971709696,17.603630786192674,17.94821895384343,18.271211555679933,18.575691163331683,18.86355618466744,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_34,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0165770200513723,0.2100279255163966,0.9896380132616812,2.4639091658018555,3.964153795157572,4.961857037167986,5.484150646349206,5.727549609833185,5.818714556310161,1.921123124286188,0.1348013381781948,0.0002779414485758,5.411138878893393,1.6621550695511431,3.2117232646335268,0.2353916117557787,15.235892158842038,36.42768691988841,1.2166311752652004,1.7033105375125794,0.8133809072953926,33.91032487438738,15.102869319330743,36.1428002659427,1.1976279124778733,-1.7033105375125794,-0.8133809072953926,33.245210676830915,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,14.263772693795945,15.237078045242685,16.104168711499184,16.875802063842322,17.56210084219035,18.17251011941537,18.71572744038377,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_35,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0388144644396866,0.3745501339040183,1.392685221569728,3.14264121736924,4.890076116691399,6.047022776904714,6.651697136735534,6.933292005487707,7.038733100224525,2.505473250158401,0.2567176203231618,0.0008060737282758,7.896906503864416,3.0405762974583435,4.623113149845889,0.5897300106734067,9.52112038372292,22.06186734169404,0.9098659197640095,5.093212682676599,0.8868644241103008,29.30546328196075,5.342803178995479,13.158446297444511,0.3566277096580469,-5.093212682676599,-0.8868644241103008,9.942125928252066,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,14.279130036356104,15.24811073449213,16.111073351261364,16.878786112441414,17.561425635755597,18.1684845002576,18.70868663850429,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_36,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0210826607251301,0.2186195352928081,0.902380788229838,2.2450225920057973,3.728043541169306,4.761683395238829,5.314259433076296,5.574083623931291,5.67175334354708,1.7359581188772957,0.1465194045408432,0.000448944395869,4.976984571526774,1.2616034753365568,3.1720126980805894,0.1933568673094474,9.995246666507736,23.76741451113239,0.8117921483236852,1.139049866590695,0.6190137389284979,23.84908914489801,9.783558331082045,23.34523387937616,0.8117921483236852,-1.139049866590695,-0.6190137389284979,23.84908914489801,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM0079,13.884654213052585,14.794908087341842,15.613329766815973,16.350357730070932,17.01470917766375,17.61390567128078,18.154608848833654,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_37,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1854626594400218,0.6171399295932115,1.4650389304990732,2.9947443455568723,4.675107505028998,5.841597521194471,6.463447105506353,6.755420596777546,6.865105770450537,2.4164463648901684,0.4987001070281434,0.0298145544716552,7.262545789883608,2.6992564934012915,4.398869121048171,0.539671704681409,5.139451485680642,11.505878915296222,0.5941645399020591,4.78640565188453,0.6772593855388913,20.83875848194436,0.921041790818397,2.4933377453094767,0.0126417660800517,-4.78640565188453,-0.6772593855388913,0.4854613981741036,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,15.410056828409065,16.161694657169733,16.83741673112016,17.44501532757185,17.991288961213147,18.482445791921403,18.92423597807792,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_38,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0993823866149585,0.3694376078648588,0.9482445779462068,2.1637007193443645,3.5497701020997936,4.515462139326074,5.030026821101561,5.271510123444799,5.362206149062374,1.6933239435394205,0.2961212033679988,0.0102175977366484,3.700922840228592,1.1279283487421328,2.414104059897709,0.1713613278208779,9.336171359401249,22.0007879394299,0.7471609314269296,3.705537937426025,0.7441271039333035,23.181573920885107,6.127044344802175,15.258650369544691,0.4154327150958091,-3.705537937426025,-0.7441271039333035,11.571086349295893,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0079,17.017634224501606,17.39844106421795,17.75150241073258,18.08331951879068,18.39753935400524,18.69613198367866,18.980149107670112,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0079_39,RSM0079.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1032604143816165,0.4048834551075834,1.030678255200258,2.1933192341508683,3.5101892328591675,4.4401484450490925,4.939979612231028,5.175526201401744,5.264148694482776,1.74867810339292,0.3192726322809919,0.0108569294957277,3.7508339346900494,1.1459679114374557,2.6379934401210483,0.3918410605050017,2.029854618357674,4.2693425511638665,0.214452394682946,3.745006727187431,0.5011873987448082,10.149473255488576,-2.029387569723862,-4.268343443261823,-0.2143856734495443,-3.745006727187431,-0.5011873987448082,-4.859859129148589,7.0,14.974362,1.0,0.0,0.0,41.0,-7.0,-14.99146,-1.0,-15.0,-1.25,-35.0,RSM0079,16.804945526383424,17.214405536568,17.588519208476015,17.93582241775831,18.261444670028062,18.56845808542761,18.858741484731485,[Cd].[O]P(=O)(O)[O].[O]P(=O)([O])Ohcb.cat1,"linker [O]P(=O)(O)[O], [O]P(=O)([O])O, nodes [Cd], topology hcb"
RSM0420_0,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0045295746622005,0.2345304933740722,1.4411362705400568,3.621104980060498,5.727947700166573,7.087318892321118,7.788598739393711,8.113277207747291,8.234556732762824,2.8342354154852485,0.1275880301475329,4.035121246536463e-06,10.370595812923805,4.166747000202572,5.630608696142866,0.6007411644587332,18.002699028960016,39.85138034067042,2.0003855755657165,7.999614424434282,1.609521886298511,66.01349514480009,-18.002699028960016,-39.85138034067042,-2.0003855755657165,7.994216366514249,1.609521886298511,-66.01349514480009,-18.0,-39.8456,-2.0,8.0,1.61,-66.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM0420,20.480650442090685,20.959586595071872,21.3400795122255,21.647001450504145,21.89797692741543,22.10572073622045,22.279564660527846,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_1,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0065129556160681,0.2562870630530348,1.4593101080692072,3.633617829709652,5.755596611498298,7.131534315345132,7.842905226883668,8.172563470037836,8.295750008085657,2.8457218132351576,0.1446877446625683,1.062261971628578e-05,10.498125848421765,4.194209683510773,5.784183782439586,0.6142582917579164,18.004282536433468,39.85477163909155,2.000611790919067,7.999388209080933,1.6092413792603566,66.02141268216734,-18.004282536433468,-39.85477163909155,-2.000611790919067,7.990823136213994,1.6092413792603566,-66.02141268216734,-18.0,-39.8456,-2.0,8.0,1.61,-66.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM0420,20.11898087075709,20.645070483364744,21.066517063182,21.40852447596237,21.689363912174382,21.922471644139275,22.1178673018259,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_2,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0047281957356935,0.2374181015263838,1.4499068108326436,3.637389078758526,5.747887361553434,7.107867956020883,7.809000949960392,8.133514970559869,8.254718134209295,2.8482223937171343,0.1295914755135599,4.644077677660087e-06,10.453081482495357,4.204473313919697,5.67668707750002,0.6073410018207243,18.008091261369838,39.86292854588222,2.001155894481406,7.998844105518592,1.6085666908430565,66.04045630684921,-18.008091261369838,-39.86292854588222,-2.001155894481406,7.98266158277891,1.6085666908430565,-66.04045630684921,-18.0,-39.8456,-2.0,8.0,1.61,-66.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM0420,20.38576226752588,20.880508864517243,21.27438714428829,21.59247188679799,21.852680875547986,22.06803176328434,22.24813415580132,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
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RSM0420_4,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0066497534130203,0.2574274727082757,1.457354823920034,3.6245603190677,5.741282520690446,7.114263808896366,7.824165322306663,8.153149079942612,8.276084177675392,2.839005104487727,0.1456529423519039,1.1441945059569557e-05,10.447035312540365,4.172531225396974,5.755092620287837,0.6105751207601681,18.00097174794866,39.847681131500345,2.000138821135523,7.999861178864477,1.609827861791952,66.00485873974331,-18.00097174794866,-39.847681131500345,-2.000138821135523,7.997917682967157,1.609827861791952,-66.00485873974331,-18.0,-39.8456,-2.0,8.0,1.61,-66.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM0420,20.15348964350828,20.67242508942381,21.08836297264298,21.42608317427389,21.703557352200395,21.934004245510653,22.127282384817267,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_5,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0049123451244614,0.2394985191729923,1.451508408925509,3.638962926617479,5.757877520426126,7.12713340560092,7.8339878107757315,8.161336795902569,8.283626989010395,2.8488403128699646,0.131176421966378,5.259621333099596e-06,10.52123093793624,4.210583482618476,5.7371179369913206,0.6130392597063115,18.0028863080798,39.85178142458943,2.0004123297256857,7.999587670274313,1.609488711140149,66.014431540399,-18.0028863080798,-39.85178142458943,-2.0004123297256857,7.99381505411471,1.609488711140149,-66.014431540399,-18.0,-39.8456,-2.0,8.0,1.61,-66.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM0420,20.399475518442305,20.885815876729826,21.274404290211336,21.589182359375897,21.84736134330956,22.0615114932464,22.240954988516584,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_6,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411715897158237,0.4958871430944722,1.4048526844322546,2.984829154162845,4.547820747874724,5.575681928224735,6.11132045754472,6.36046865899743,6.453716632161196,2.410886406095928,0.3895231061414121,0.0202466122313696,8.586025579844602,2.348339842479147,5.546311809269649,0.3708056509541064,5.828975908716309,12.559824020802868,0.9057124576062522,13.052234719299657,0.8929424317987475,34.263541384195804,5.828975908716309,12.559824020802868,0.9057124576062522,13.052234719299657,0.8925470453892873,34.263541384195804,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0420,3.355738514290973,4.04253734658122,4.746790307403494,5.45138873072989,6.143306267386524,6.813412048374465,7.455914927377512,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_7,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412343266482981,0.4948829458777536,1.3947277072041897,2.9784892015945683,4.563028893781305,5.609561724887577,6.155659369057502,6.409782657102358,6.50490686401971,2.400311889270045,0.3892382597085334,0.0202612552807255,8.708389935161662,2.348444455204272,5.590367905824534,0.3398504059758233,5.838908435582455,12.578434826533227,0.9054101093143396,13.079495667000325,0.9003412896058334,34.18519162384268,5.838908435582455,12.578434826533227,0.9054101093143396,13.079495667000325,0.9002938301798415,34.18519162384268,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0420,3.3942786439272625,4.08242397402647,4.787138852995656,5.4914910735254185,6.182631815829818,6.851586272558452,7.49269023840385,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_8,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141089709271218,0.4922380926200234,1.378045365670424,2.944749991294374,4.521191209982794,5.566097440326726,6.112350934160314,6.3667642927726975,6.462031422705217,2.3715801127126577,0.387853750542659,0.020225801554299,8.646282045201648,2.2914899112274028,5.553812323744404,0.3108149683453649,5.9106563467401205,12.735163353296873,0.9182541861885276,13.245180656558302,0.9071097111051524,34.72889574890205,5.9106563467401205,12.735163353296873,0.9182541861885276,13.245180656558302,0.9069069303201376,34.72889574890205,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0420,3.394002235689918,4.082336521332064,4.787082005182534,5.491393266034898,6.18248546533953,6.851431610589276,7.49260306437807,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_9,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409827188560212,0.492964290336059,1.38260019621326,2.9377392852298505,4.495676757177632,5.5303679673243895,6.072479387817432,6.325278664395507,6.419994569952378,2.3706072013170583,0.3880599596728882,0.020196866587974,8.46721671130319,2.25577528237368,5.493509356906233,0.3376552218006173,5.892379039696016,12.69219137828693,0.9121075596377892,13.181815968521738,0.9110002649472312,34.38846199455624,5.892379039696016,12.69219137828693,0.9121075596377892,13.181815968521738,0.9108694690966436,34.38846199455624,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0420,3.3757651774734305,4.063284792929197,4.767963554571185,5.472709224708784,6.164552617098349,6.834434919174605,7.476636852770003,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_10,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411642831873478,0.4946675403970689,1.3969941501207914,2.9715898836775207,4.536973359070783,5.569699076966736,6.108732223970865,6.359640267037879,6.453575011062403,2.3985924432769865,0.3889239481158461,0.0202479461720997,8.579712906067115,2.3218638308188164,5.5540029217244085,0.3622420937395821,5.821812877181905,12.555651361365028,0.9159589330472152,13.137097179841478,0.8717707275582742,35.0127798461453,5.821812877181905,12.555651361365028,0.9159589330472152,13.137097179841478,0.8715524775660972,35.0127798461453,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0420,3.3863287011368657,4.077106242670951,4.784367767415595,5.4910364467625,6.184194648686507,6.85484968627222,7.497350325886252,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_11,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410141726802959,0.4924726179387148,1.3776037359792228,2.922639308792355,4.470935713329538,5.500153638135021,6.039757284821845,6.29147587465564,6.385801619654006,2.3592547648507765,0.3878582928704411,0.0202063682152312,8.409097893823072,2.2351958465445425,5.44695835971733,0.3223217748033299,5.97342135388133,12.857609352213109,0.9157844518400592,13.292266246827396,0.9401690456889208,34.240635610549646,5.97342135388133,12.857609352213109,0.9157844518400592,13.292266246827396,0.9400381234481336,34.240635610549646,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0420,3.364023296367326,4.050064585810417,4.753459301574925,5.457168611359887,6.148236647694877,6.817593046695948,7.459493275805795,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_12,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0986741277671528,0.7041203025542107,2.1282213570575217,4.113511880737393,5.873172327668468,6.979240663568975,7.545245890715,7.806559756187863,7.904069972705695,3.428209383027637,0.5081512982784827,0.003489327984523,12.009447685298817,5.522688015339733,7.153546320848986,1.6153628753764078,0.5413697930304479,1.099665593415609,0.0193836594071204,0.6964390682874114,0.2045651965101985,3.0945221532946485,0.3475331989592434,0.6731180886590318,-0.0193836594071204,0.1924639237022798,0.1909966349252142,-3.0945221532946485,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,7.737393142012406,8.54473935543045,9.33954613722971,10.117930244735597,10.875584464521458,11.608418513155234,12.312974757144884,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_13,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1196183549579092,0.7411916873273304,2.089954606367994,4.110250521158412,5.992981827408552,7.19059147622771,7.804202077240358,8.087395796246922,8.19303861154841,3.39481704779572,0.5502810356995106,0.0050614827018833,12.225301043130068,5.622764177875312,7.226149426663052,1.5429656989644869,0.9331817224995108,1.8733486695356991,0.0118890226756284,1.0282939039045382,0.392973948995479,4.903689066010122,0.8142914957432265,1.611724543266704,-0.0118890226756284,0.7191793143381993,0.3846516331225391,-4.903689066010122,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,7.329331711763328,8.197250897384372,9.04537573331022,9.870008665627749,10.667508857155209,11.43455549579534,12.16842423274056,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_14,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0980169954248975,0.701531662522456,2.1252459184853865,4.109113409094605,5.854686297245466,6.945078218368226,7.501219406766557,7.757589400737619,7.853194088307388,3.4256568393678624,0.5060865126029199,0.0034417484133933,11.96216790608545,5.519643390779066,7.1314053985006645,1.6143968844630578,0.5335682892844101,1.087009696822004,0.0221993764247105,0.7111633006820948,0.1958140579352301,3.111828974916261,0.3115745250373041,0.5985008749205065,-0.0221993764247105,0.1339795136396193,0.1802744944379327,-3.111828974916261,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,7.740225348624873,8.551025202387862,9.349410990615382,10.131265004632096,10.892119958531133,11.6277877983124,12.3347628823998,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_15,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169890519542059,0.8993419437312599,2.118775624865366,3.814461817916894,5.410776163320073,6.45153811130686,6.992948112565796,7.244659843141833,7.338852405234922,3.2166313470648618,0.7076964848782414,0.0233051704674497,10.285550458032484,5.059576832861396,6.078755620375926,1.6269543990379256,1.8522186089133827,4.009328405940373,0.3058711586250061,4.299187877913432,0.2507288585445686,15.378516217067036,-1.206492977336679,-2.721525492605373,-0.3058711586250061,-3.653462246336728,0.0366190475070645,-15.378516217067036,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,9.32307915034695,10.14197723135476,10.92708555317219,11.676328554206968,12.38847615543636,13.06296993414724,13.6998178251498,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
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RSM0420_17,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1194254198797388,0.7391415974213095,2.064882127383767,4.055164272176744,5.938298831574239,7.148817043947648,7.7722499302582575,8.06063956496413,8.168322862454861,3.3468967657583457,0.5493416217754675,0.005032367252431,12.078757306553175,5.389649564455887,7.230795750183592,1.5093510025694892,0.9360941733903144,1.8814673294194968,0.0141297511358019,1.04913218247673,0.3900686237790613,4.963065889667611,0.794796662032295,1.5705348082055843,-0.0141297511358019,0.6817586529458795,0.3801777979839999,-4.963065889667611,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,7.302071845024601,8.171933227898908,9.022061319379803,9.848625806226242,10.647909140253756,11.41655781828906,12.151843498478732,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_18,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1558264460947495,0.7771035880175002,1.9066876318295365,3.6433777283045288,5.407323948542284,6.592702701471278,7.216512619063439,7.507879770538623,7.617111247995103,3.009605082304673,0.6006585570639786,0.0096613671973145,9.71592278770166,4.523440111587121,5.631042333325257,1.259620832969902,1.6276490138343065,3.2791709072296604,0.0320744672594946,1.884244751910264,0.664164185044714,8.779734414361425,1.30690434123936,2.573355576461505,-0.0320744672594946,1.0503086031634024,0.6417120579630677,-8.779734414361425,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,6.581804924154859,7.395940090336358,8.204285498967188,9.000353346007932,9.77869270193498,10.534703205381302,11.264621375704474,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_19,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1198971032038869,0.7415455838706364,2.089540275406541,4.108866594175052,5.992092864345427,7.190772893444321,7.805147818111495,8.08874181618315,8.19454150030679,3.393627477723288,0.5506811178393096,0.0050969200217407,12.219451284215998,5.626419884589396,7.214671390860748,1.541381471374569,0.9383880674362708,1.8841198319240149,0.0122652444035352,1.0365100226645525,0.3945853567525119,4.937245225252058,0.8157356234009182,1.614216750897132,-0.0122652444035352,0.7176136681726363,0.3859996856700372,-4.937245225252058,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,7.306999022658721,8.175164293087047,9.023744591824444,9.848939954610998,10.647062668795064,11.414769932767358,12.149325177437053,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_20,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1552353067016982,0.7754070451641089,1.904670246302716,3.642973087594264,5.406379009667988,6.589773244974769,7.212045199595237,7.502583398933003,7.611486443163573,3.008730693201233,0.5992246506623646,0.0095925302945389,9.735675497995848,4.513209201440072,5.648855788421505,1.2574382379334157,1.5956868290478972,3.206774012095978,0.0236816176218504,1.7851397700227003,0.6656776058853447,8.452066497676494,1.358870652829393,2.6856477018859954,-0.0236816176218504,1.1694177118545894,0.6491004735500494,-8.452066497676494,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,6.639972946370339,7.457778302182169,8.26872372649775,9.066501437121175,9.845838185942034,10.602279635923413,11.332174798254044,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_21,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171626098539044,0.8998535005524333,2.1200073558159285,3.81965172558852,5.423973915751373,6.472090973140738,7.017940594034888,7.271852117612052,7.366889457894482,3.219903024595416,0.7081300297154769,0.0233255956238604,10.312263506323337,5.076758544580452,6.078600574909451,1.6287708998706103,1.8411919386295403,3.986446985389785,0.3050075582040532,4.281252404261966,0.2474412410575455,15.306110857228768,-1.208883643410992,-2.7254029368206734,-0.3050075582040532,-3.6489441090434176,0.0339359503147085,-15.306110857228768,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,9.30934404856373,10.132238722961294,10.920283286935524,11.671633022397083,12.385261648092008,13.060776707792728,13.69831474513742,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_22,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1555469991815237,0.7758846907255458,1.8839655857878763,3.565853556907587,5.277378783536297,6.43090759478667,7.038919357275046,7.323113618539319,7.42968821305663,2.952276971197705,0.6001422808952043,0.0095865630636899,9.353345287722956,4.270908992987097,5.521793330451315,1.2330310695197113,1.550223388148631,3.108736742778092,0.0165359488500306,1.682510978948876,0.6588445036323334,8.081835917743767,1.384863899648325,2.7448545896397665,-0.0165359488500306,1.25257630884808,0.6472693394373119,-8.081835917743767,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,6.589753386824758,7.405856278111976,8.217156247325512,9.016540252206058,9.798143656960525,10.557120733404329,11.28958355335384,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_23,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0979457877113897,0.7016625949604351,2.1273830192570857,4.113883206287794,5.861441948600701,6.953550958678116,7.510808895251993,7.767757015751719,7.863588032721981,3.4296505529716947,0.5060913330348326,0.0034300566544397,11.979180916626296,5.539284106043016,7.134103220812021,1.61835332238817,0.5394826225073249,1.0984058623939643,0.0218122949306808,0.713980981952772,0.1991717140207329,3.1336590111502423,0.321359673200516,0.6184149700509676,-0.0218122949306808,0.1468613137550688,0.1839031075692563,-3.1336590111502423,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,7.74424944829941,8.553338677590666,9.350230060514868,10.130825125747736,10.89065328782712,11.625508334356452,12.331858780442984,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_24,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1556100114396938,0.7757590955709027,1.882950488590018,3.5663085454525247,5.286314773136752,6.449011752073917,7.06279168113259,7.349881836357675,7.45757366346854,2.951422425048863,0.6000817486842462,0.0096080376082785,9.386710128301097,4.268514816304511,5.549164562500646,1.2316019278457646,1.5528148151427466,3.114110583070126,0.0167353919847429,1.6866979510206903,0.6596237327671292,8.098781915408592,1.3854608952953171,2.7458395800420257,-0.0167353919847429,1.2515777594173731,0.6479089583778092,-8.098781915408592,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,6.615181448911502,7.434089726272353,8.246580191958095,9.045981425593002,9.826825578654653,10.58457729019119,11.315571116198289,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_25,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1195900939575438,0.7398878561989064,2.066436722660395,4.046480107542705,5.90506823271999,7.09369445842934,7.704320262471569,7.986470110099707,8.091774931400224,3.343840282669488,0.5498984114085563,0.0050422646103226,11.996244872016286,5.3650225879065365,7.194557849292032,1.5111818959283645,0.9006149570401198,1.8094217950811573,0.012880918233766,1.0036623029102485,0.3766219341945421,4.76069314987592,0.7718057747024595,1.5259704912696548,-0.012880918233766,0.6687584288323312,0.3676052914309058,-4.76069314987592,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,7.2989548404017235,8.168366128962306,9.01764376066996,9.84303700956091,10.640957129170165,11.408176883202517,12.14206934345188,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_26,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0980445160056042,0.7019992518997823,2.122650215362065,4.084744236393177,5.80622048997495,6.883129998727937,7.43324726600069,7.687060529683716,7.781748701786041,3.4102678585014163,0.5063497594843338,0.0034445661515951,11.816004258559886,5.444920438098671,7.072058999630661,1.607963051527386,0.511627203826852,1.0401559374534954,0.0191969268013046,0.6652026182372893,0.1916798679505029,2.942074555160353,0.3196579358138053,0.6177175807888495,-0.0191969268013046,0.166082521403368,0.1782420191895896,-2.942074555160353,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,7.717758438728296,8.52855801241622,9.327306322915843,10.10970859755108,10.871195994810904,11.607526327051554,12.315167356817865,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_27,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177395918558275,0.902603820059208,2.1406205012821307,3.867295465686962,5.473821803751783,6.512821742061827,7.051462827418099,7.3015455845948996,7.395079064061244,3.260577276013252,0.709937914912149,0.023410673836223,10.459130853227002,5.2499094453090285,6.095634919372072,1.6621645872838549,1.8520984270732963,4.00950814133086,0.3062779636446124,4.302322136230195,0.2499126182139687,15.386051408258732,-1.210681209372827,-2.73029771320993,-0.3062779636446124,-3.660904918529726,0.0355180436627402,-15.386051408258732,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0420,9.276947716255036,10.099185508805304,10.88677091778464,11.637812617891054,12.351269318716728,13.026745790145052,13.66437703944654,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
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RSM0420_64,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0708224354174952,0.3893832438999117,1.3784205466214774,3.1707559056741514,4.944593277144655,6.103228621977968,6.704359033471502,6.983369304209614,7.087697778446003,2.517420116865976,0.2831916759891299,0.0050645244944553,8.71783066591094,2.791826947493292,5.355744264214414,0.5363812895340505,4.6414501306994085,10.011696792531415,0.5184966560844672,5.749247563837659,0.7834000044961555,20.40093451607782,-0.4319759245705811,-0.6934176021021495,-0.0507772998479307,-5.749247563837659,-0.7834000044961555,0.4763460584439011,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0420,14.74180247872865,15.493951238622923,16.171777868003122,16.78476231380202,17.340864852797647,17.84675279798699,18.30803373909463,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM0420_65,RSM0420.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.048158241030425,0.3669128998973022,1.4984602637415634,3.626473432661039,5.724322943898244,7.07697419056019,7.772811352629106,8.094413946387814,8.214449302206669,2.8485535238941564,0.2528423978282353,0.0022229805286287,11.339937578191632,3.924158639924958,6.67894096533683,0.6833275597736159,6.21265971065197,13.580859987819917,0.6737059489217827,4.761330041053828,0.8041814654126733,24.748550312362244,3.2594626506944366,7.38705105447255,0.3787520912278179,-4.761330041053828,-0.8041814654126733,14.425165293073476,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0420,13.10912595619589,14.152080158499215,15.07874900045228,15.903232473599097,16.6380353971074,17.29410766501694,17.880997055031354,[Fe]1OO1.[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[O]O[Fe].cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Fe]1OO1, [O]O[Fe], topology "
RSM1667_0,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,63.0,151.964,6.0,3.0,1.185,198.0,0.0003829990605573,0.0603028296964421,0.5984240640640718,1.80457977765249,3.0698448850822344,3.9175946101638335,4.36265286210716,4.570313348587991,4.6481319243785055,1.3525650630971484,0.0275893541535793,4.7639691421313486e-08,2.9927589684578524,0.7792020663026282,2.047064983553015,0.1071316468017442,55.6257626066623,137.30410872258128,4.088766421261027,12.019171708293594,2.1429726798997017,135.08483645496037,-55.6257626066623,-137.30410872258128,-4.088766421261027,11.664106023249488,2.1429726798997017,-135.08483645496037,-55.0,-135.9646,-4.0,13.0,2.255,-122.0,-62.0,-150.95606,-5.0,-2.0,1.015,-167.0,RSM1667,21.855020883227205,21.997424783442604,22.10864393330035,22.19710840179629,22.26859575750505,22.32716829854768,22.375747073046583,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_1,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,63.0,151.964,6.0,3.0,1.185,198.0,0.0003683464626215,0.0615301899477209,0.6083220042524545,1.816310181776164,3.0764700737263846,3.9197661064926064,4.362353838670956,4.568841571587459,4.646217928395937,1.3649872217639676,0.0280182036971339,3.83396170037464e-08,2.997678113579702,0.7847706612644434,2.0471800645585665,0.1105947914119152,55.57771330748753,137.2012123507809,4.081909793302801,12.094647519301278,2.1514984406108053,134.84511899375846,-55.57771330748753,-137.2012123507809,-4.081909793302801,11.767008346090076,2.1514984406108053,-134.84511899375846,-55.0,-135.9646,-4.0,13.0,2.255,-122.0,-62.0,-150.95606,-5.0,-2.0,1.015,-167.0,RSM1667,21.84389810579917,21.9886361449681,22.10152759735812,22.19122744666644,22.26365176913349,22.32295130876465,22.3721054219484,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_2,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,63.0,151.964,6.0,3.0,1.185,198.0,0.0003895205013942,0.0606710224093732,0.5918692188087323,1.765210897780085,2.996406392624717,3.824819039271605,4.260954843575802,4.464736786231665,4.541147792893634,1.326198732958375,0.0278259061934816,5.043950551905166e-08,2.8362916793315702,0.7498707898310585,1.944331040409366,0.1052457668850043,55.75098561340349,137.5723347540108,4.106697894219805,11.8222228097173,2.1208699536975835,135.71392452836895,-55.75098561340349,-137.5723347540108,-4.106697894219805,11.395431232838082,2.1208699536975835,-135.71392452836895,-55.0,-135.9646,-4.0,13.0,2.255,-122.0,-62.0,-150.95606,-5.0,-2.0,1.015,-167.0,RSM1667,21.845266671738003,21.98963225264385,22.10227676457848,22.19180919351332,22.26411744525834,22.323334648321115,22.37242895409905,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_3,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,63.0,151.964,6.0,3.0,1.185,198.0,0.000370599687577,0.0613244232898413,0.6025229232749347,1.7941061132673009,3.0390023353348257,3.873801499419162,4.312447315123853,4.5172092547517,4.593956762276465,1.3489030751249391,0.0279657455436172,3.9638887946587954e-08,2.926842263117511,0.7694446233356331,2.001314416204268,0.1096383320587401,55.5570026903976,137.15692136167198,4.079012857370474,12.12694588012051,2.1552829103427085,134.74588656394522,-55.5570026903976,-137.15692136167198,-4.079012857370474,11.810894450638616,2.1552829103427085,-134.74588656394522,-55.0,-135.9646,-4.0,13.0,2.255,-122.0,-62.0,-150.95606,-5.0,-2.0,1.015,-167.0,RSM1667,21.80224064833877,21.953889969834705,22.072125607218265,22.16603822964108,22.24183931251256,22.30388523567642,22.35530186975152,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_4,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407825748599278,0.4810960671995684,1.3477652615661997,3.056703416360947,4.904364318109176,6.166232534577903,6.8335830692838,7.14582897111383,7.26296289822421,2.4113435808553323,0.3818551720266251,0.0201813812062457,10.701220434042554,2.562930493064978,6.958520165904322,0.2275850810242053,2.907307506716045,6.304189205616396,0.4907813499357446,6.8335583062020016,0.3735368093591185,19.8181569619219,2.907307506716045,6.304189205616396,0.4907813499357446,6.8335583062020016,0.3735368093591185,19.8181569619219,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.5818601543798545,4.268001144281294,4.970274639478549,5.671614870652113,6.359128836982633,7.023888021799002,7.660335112253246,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_5,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411137187363893,0.4820872079905201,1.2462559662569492,2.5500143234905543,3.927969901616127,4.881193782880817,5.390597886700611,5.630216528942569,5.720313578869257,2.0677152416060056,0.3835439423284634,0.0202545857884028,7.388359980987702,1.5524514244307046,5.005679796628712,0.1239216246530087,5.229794894722735,11.729831257544124,0.7161345026629115,8.424266977643393,0.5485546582568446,27.19938771453608,5.229794894722735,11.729831257544124,0.7161345026629115,8.424266977643393,0.4971021983076772,27.19938771453608,62.0,150.95606,5.0,15.0,1.2399999999999998,167.0,0.0,0.0,0.0,0.0,-1.015,0.0,RSM1667,3.574857582693808,4.236925684169697,4.91833006284324,5.602436078666623,6.276313051256362,6.930719109386875,7.559653635282943,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_6,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402717878315967,0.493091797352366,1.490107460158263,3.470251047233476,5.554876062493589,6.954707623129534,7.689401582130705,8.032050393325278,8.160422969955954,2.728789743375921,0.3865872238071142,0.0200236814036069,11.394032161720911,3.24611880317311,7.352384623733834,0.6011978410937339,1.2845243963425228,2.826662729420331,0.2569048792685046,3.339763430490559,0.0899167077439765,11.560719567082709,1.2845243963425228,2.826662729420331,0.2569048792685046,3.339763430490559,0.0899167077439765,11.560719567082709,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.728373916515958,4.411048525618051,5.104965331218192,5.795007697344501,6.469861058837056,7.121734823621046,7.745819261457527,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_7,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.145251401521797,0.622541519145481,1.843791135512565,4.049597124251463,6.362643268264163,7.929986963540011,8.757280891911638,9.14415546423976,9.289261166462772,3.229854555641691,0.4738311755694623,0.0187259314465013,15.805359610967605,4.841906826104735,9.28420587210143,0.5607427485577298,1.8144474869697231,3.9927860463462,0.3628894973939446,4.717563466121281,0.1270113240878805,16.33002738272751,1.8144474869697231,3.9927860463462,0.3628894973939446,4.717563466121281,0.1270113240878805,16.33002738272751,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.956830292002244,5.396449823274043,5.852044564017897,6.320586293337304,6.797314661360976,7.277096664390606,7.755237670960557,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_8,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1450522282980841,0.6202794969340164,1.7473582027200587,3.613927669014448,5.523806642287706,6.819114569861797,7.505212132544612,7.826739577979461,7.947452851896936,2.9310685826286265,0.4735506272702868,0.0186183424866252,13.73007331550968,4.01175840018054,8.035612054085826,0.401995143748627,1.4297776958179234,3.146300168087523,0.2859555391635847,3.717422009126601,0.1000844387072545,12.867999262361309,1.4297776958179234,3.146300168087523,0.2859555391635847,3.717422009126601,0.1000844387072545,12.867999262361309,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,5.079753267621526,5.517355115490781,5.970252903458808,6.435540757539263,6.908595004292164,7.384416297176642,7.85843015315123,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_9,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1466064808921778,0.6300373569218197,1.88755196515838,4.1546509881263525,6.481366038482975,8.02886786794457,8.837534461979736,9.213948360474395,9.354856734402777,3.3167569540369874,0.4786063591432089,0.0190469221917524,15.980977000569425,4.970226354358555,9.65697628808115,0.8764606988748047,1.7002851165793702,3.741565813858967,0.340057023315874,4.420741303106364,0.1190199581605558,15.302566049214333,1.7002851165793702,3.741565813858967,0.340057023315874,4.420741303106364,0.1190199581605558,15.302566049214333,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,5.014119926529972,5.442121899133227,5.888338628680911,6.349437048885296,6.82028247718284,7.29537806004538,7.769710978596323,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_10,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407142079165648,0.4846629175765157,1.3571843907444694,3.0263747783238792,4.827559962662358,6.067380251051181,6.726745208836646,7.036125906709818,7.1523267356599645,2.3988321588773927,0.3835967976701759,0.020152635528501,10.537190221600486,2.5184474525199976,6.862985215657256,0.2164837506635018,3.3465825891016574,7.253331571370124,0.5616575831419995,7.839843254237652,0.4361212837589884,22.583117874431675,3.3465825891016574,7.253331571370124,0.5616575831419995,7.839843254237652,0.4361212837589884,22.583117874431675,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.5072465752655764,4.178347882563065,4.868962032460879,5.561948493414853,6.244051744129481,6.905868296224695,7.541356235415598,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_11,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405060995070578,0.4771619545766097,1.232130963952299,2.5198457728523675,3.830260504489701,4.710959600424534,5.175058199548293,5.392030993123474,5.473409142926738,2.048314556051096,0.3805987684001693,0.0200945140558253,7.064927532820736,1.4889610589115834,4.773440043944764,0.126915819511181,5.786065566973303,13.017074955475458,0.7731758060557035,8.899495215036648,0.5967145312829232,29.09338912551821,5.786065566973303,13.017074955475458,0.7731758060557035,8.899495215036648,0.5343534022351628,29.09338912551821,62.0,150.95606,5.0,15.0,1.2399999999999998,167.0,0.0,0.0,0.0,0.0,-1.015,0.0,RSM1667,3.554651665692145,4.222004502598444,4.907984038246856,5.595864249678101,6.272773444012467,6.929593315036535,7.560463654346726,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_12,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399559636351171,0.4833575981499964,1.4252015439898114,3.347161836741033,5.409568696641431,6.804740706469127,7.538897683048952,7.88162659081353,8.01007588143712,2.6212901114793192,0.3817768683777829,0.0199496855796114,11.059443502591185,3.0328222975084405,7.036864153431335,0.4441206577190177,1.1366649814776952,2.5012903983207053,0.227332996295539,2.955328951842007,0.0795665487034385,10.229984833299255,1.1366649814776952,2.5012903983207053,0.227332996295539,2.955328951842007,0.0795665487034385,10.229984833299255,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.582815723360622,4.255808761514785,4.944675133490774,5.63341153215639,6.309791566608825,6.965218820093402,7.594227314685078,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_13,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1450703044327207,0.6233112361665971,1.8739234713791373,4.19743577955664,6.648357466295308,8.302883509236331,9.173214039879932,9.579469166980669,9.731720547361157,3.3295581812549573,0.4738576763491366,0.0186887776535738,16.741948653845668,5.174010227112623,9.791590038513815,0.605804699444059,1.936240135887709,4.26079710350797,0.3872480271775417,5.034224353308043,0.1355368095121394,17.42616122298938,1.936240135887709,4.26079710350797,0.3872480271775417,5.034224353308043,0.1355368095121394,17.42616122298938,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.916052407006182,5.3596825125376135,5.819142613430061,6.29131343108544,6.771393653761391,7.254245045542837,7.735190124042721,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_14,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.144949399384589,0.6237273446932563,1.8071919447472928,3.767576156039437,5.7323964243644365,7.047083845997505,7.738956581865203,8.062263640340657,8.183502047518338,3.055231789469757,0.4742564840725616,0.018660993176326,14.229608530848951,4.410022690444641,8.227889521770871,0.4924717288121699,1.3330570272879187,2.933461307512484,0.2666114054575837,3.465948270948589,0.0933139919101542,11.99751324559127,1.3330570272879187,2.933461307512484,0.2666114054575837,3.465948270948589,0.0933139919101542,11.99751324559127,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,5.010511322378797,5.455556207224939,5.915552970052131,6.387418665685214,6.866444031406568,7.347612931591452,7.826379116988604,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_15,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1466764073373104,0.61306734375206,1.6849412685330751,3.660709863489294,5.865458769403366,7.406849839854864,8.230945465369782,8.618350005423405,8.763957322198761,2.9089626295610453,0.4718010874306864,0.0190654309320863,14.5530798375703,3.603112024681594,9.05662142628426,0.3367191010766305,2.874773492842881,6.326088559222388,0.5749546985685761,7.474411081391489,0.2012341444990014,25.87296143558593,2.874773492842881,6.326088559222388,0.5749546985685761,7.474411081391489,0.2012341444990014,25.87296143558593,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.96251966223167,5.390389396527817,5.836232489446513,6.296957977289753,6.767590061769352,7.24271825278151,7.717361627531864,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_16,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407225098798093,0.4817460629125433,1.3536388323029498,3.0673904821690856,4.91113706947006,6.166639533547935,6.8297166172018695,7.139778143173655,7.256064289604343,2.4213448795166967,0.3821239096671358,0.0201623588653497,10.740049254920695,2.5839606265697945,6.990549686353835,0.2339683883333667,2.8644700626980755,6.212782929684497,0.4849875948270045,6.744370821314112,0.3653374376000099,19.626781324399943,2.8644700626980755,6.212782929684497,0.4849875948270045,6.744370821314112,0.3653374376000099,19.626781324399943,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.502827391106558,4.17840692614677,4.873046047085667,5.569497102170533,6.254470813634023,6.918581104473574,7.555834274321686,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_17,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412046764805248,0.4811683825809158,1.2468921062147276,2.5694758540652245,3.963953112208293,4.923040776530553,5.433764405957057,5.673594511503976,5.763705779763622,2.079712769286677,0.383091900104833,0.0202853208224392,7.503598399951771,1.5802270294519731,5.094620368721858,0.12920510942061,4.748347537514854,10.510934552179702,0.6864289033917961,8.734889992603778,0.5671195915426754,26.219494290349168,4.748347537514854,10.510934552179702,0.6864289033917961,8.734889992603778,0.5365703494701529,26.219494290349168,62.0,150.95606,5.0,15.0,1.2399999999999998,167.0,0.0,0.0,0.0,0.0,-1.015,0.0,RSM1667,3.508034913487028,4.1721715646800135,4.856639219834367,5.544357650092152,6.222078910239774,6.880346844864022,7.513024306828608,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_18,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140058513448484,0.4872528159304253,1.44234615892221,3.355641814297288,5.404818597660863,6.796681851395256,7.5313544509704595,7.874868738908627,8.003701633179304,2.635080637156588,0.3837079444266262,0.0199732601148898,10.876309840306057,2.971812626014221,7.0720502026940855,0.5249266184210606,1.3188212335455924,2.90213470312122,0.2637642467091184,3.42893520721854,0.0923174863481913,11.869391101910333,1.3188212335455924,2.90213470312122,0.2637642467091184,3.42893520721854,0.0923174863481913,11.869391101910333,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.613950788520188,4.287519242419599,4.976330467397112,5.664520933424234,6.3400004758450015,6.9942915845254925,7.622024834610939,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_19,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1452807915284998,0.6237651216091958,1.8574682063535688,4.082674925590659,6.402850526410697,7.969412850067166,8.794916308567448,9.1806740312799,9.325318102530485,3.25729460414489,0.4743855351189207,0.0187236357393416,15.916664599536029,4.932158333483087,9.334396919056973,0.5908487618397025,1.8140652112277047,3.991944828697549,0.3628130422455411,4.716569549192034,0.1269845647859392,16.32658690104935,1.8140652112277047,3.991944828697549,0.3628130422455411,4.716569549192034,0.1269845647859392,16.32658690104935,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.92709035896538,5.370796994621613,5.829767148467921,6.301074285551278,6.780063011496454,7.261697086059903,7.741365300846055,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_20,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1452088368453171,0.6219362531280701,1.7614937304709706,3.65003682071085,5.579780444181775,6.887346134807109,7.579577052666856,7.903896656286272,8.025644918859367,2.959465970028771,0.474381633274663,0.0186573015417427,13.852797385612138,4.092997746142393,8.11203001811693,0.4345802215720236,1.3882870739792856,3.0549978972192644,0.2776574147958571,3.6095463923461417,0.0971800951785498,12.49458366581357,1.3882870739792856,3.0549978972192644,0.2776574147958571,3.6095463923461417,0.0971800951785498,12.49458366581357,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,5.064243090033985,5.504419562552268,5.959423784841299,6.426385414771311,6.900741573503216,7.377560391135718,7.85233103992618,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_21,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1466983415016882,0.6322085993769798,1.899460170476876,4.181554776880919,6.523917796234832,8.082959068569503,8.898061702911725,9.27756618303746,9.419646823216633,3.338297072595996,0.4798236293752162,0.0190514768932731,16.12435327707851,5.037980903072044,9.72866274324839,0.8893680860558953,1.7324956726784029,3.812446817503804,0.3464991345356806,4.504488748963848,0.121274697087488,15.592461054105623,1.7324956726784029,3.812446817503804,0.3464991345356806,4.504488748963848,0.121274697087488,15.592461054105623,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.99395566764518,5.422385121532481,5.868644684312163,6.329584272167513,6.800203095231934,7.275093163452847,7.749294379891076,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_22,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406934097641002,0.4832742368766941,1.3481840219497718,2.995111499826429,4.764649092158989,5.9806627572812046,6.627058317759794,6.930311728471903,7.044206271910145,2.3770502403014566,0.3828557818225825,0.0201523019728805,10.373757274433306,2.4764446813347227,6.749275294150728,0.2100676360020739,3.3055026898415605,7.16203465881254,0.5525701684047899,7.72606403707988,0.4348796312205131,22.152398339127497,3.3055026898415605,7.16203465881254,0.5525701684047899,7.72606403707988,0.4348796312205131,22.152398339127497,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.611530196741162,4.297240770800528,4.998324008086064,5.697967341487229,6.383504494242975,7.04618301670942,7.680569219726819,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_23,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405220892330408,0.47858800362198,1.2444337604248588,2.5521852773588813,3.876668770750969,4.763420337474854,5.229773775022173,5.447600674089594,5.529267845489371,2.073937738179446,0.3813068878536554,0.0200931983220722,7.087697273839611,1.527645118971099,4.77206930727842,0.1427342138253611,6.041668661441965,13.630541357350207,0.8008203534798707,9.036759798612785,0.6002312607719956,30.18165048352967,6.041668661441965,13.630541357350207,0.8008203534798707,9.036759798612785,0.5309783854514323,30.18165048352967,62.0,150.95606,5.0,15.0,1.2399999999999998,167.0,0.0,0.0,0.0,0.0,-1.015,0.0,RSM1667,3.697608207533289,4.363740694509947,5.045715528662596,5.72781181855467,6.39793963305662,7.047552426425993,7.671187592873581,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_24,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398716383949098,0.4834460173427712,1.4220840639851922,3.326568077050939,5.369997004220604,6.753808823113559,7.482474638499944,7.822748297995103,7.950294515727798,2.607727066135685,0.3817723096608419,0.0199253497223788,10.985702262275504,3.005057865603157,6.982804282046193,0.4327150666086631,1.2046160243343629,2.65082020158103,0.2409232048668725,3.132001663269344,0.0843231217034053,10.841544219009265,1.2046160243343629,2.65082020158103,0.2409232048668725,3.132001663269344,0.0843231217034053,10.841544219009265,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.6986787309351374,4.377757971059642,5.069284156480638,5.758021875607843,6.432465557329675,7.084622058310775,7.709498065589988,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_25,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1448949832721397,0.6238536510831116,1.8802800179946064,4.201070590948154,6.642884306907223,8.291209232030768,9.158529055120807,9.563453250169928,9.715218743242335,3.335543382631922,0.4738385021811464,0.0186616857499033,16.717451203327997,5.204387044137621,9.749846144245478,0.617533060557715,1.8875194764175,4.153584758869481,0.3775038952834999,4.907550638685499,0.1321263633492248,16.987675287757497,1.8875194764175,4.153584758869481,0.3775038952834999,4.907550638685499,0.1321263633492248,16.987675287757497,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.9287209018062,5.3753835706276,5.837472804348292,6.311891990825463,6.793857508646977,7.278254612472065,7.760437633659079,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_26,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.144782073889108,0.6260422805539793,1.8238408884337631,3.797903838496064,5.766879565013007,7.0810997492873895,7.771950029203017,8.094620549068186,8.215595814666637,3.082015510665483,0.4751827234678585,0.0186266459648343,14.343214070840505,4.491942087539291,8.285936051772289,0.5152953124151466,1.3060020468095697,2.8739254161108923,0.2612004093619139,3.3956053217048807,0.0914201432766697,11.754018421286126,1.3060020468095697,2.8739254161108923,0.2612004093619139,3.3956053217048807,0.0914201432766697,11.754018421286126,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.991554135109635,5.439950737583537,5.902984502455517,6.377622232007348,6.859179987739612,7.342658342465134,7.823527312747204,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_27,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1466279998202781,0.6131585753510861,1.6885558714376523,3.672600409728491,5.88250930319022,7.42555352464807,8.250054399697783,8.637553298983788,8.783181468884681,2.918092207577255,0.4717769591592081,0.0190578497293238,14.626369751599034,3.622484619679344,9.10323801314507,0.3431720100165986,2.867697450526088,6.310517360150081,0.5735394901052173,7.456013371367826,0.2007388215368259,25.809277054734785,2.867697450526088,6.310517360150081,0.5735394901052173,7.456013371367826,0.2007388215368259,25.809277054734785,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.956808839226327,5.389029841957601,5.8385506556398425,6.302337128147622,6.775473981860498,7.252612377753309,7.728832169318229,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_28,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407226714024306,0.4784488828577317,1.3254691342074798,2.99854920269174,4.818970429293808,6.067628107094096,6.729413408645336,7.039354251635296,7.155669893114666,2.3654357629957867,0.3805754186585371,0.0201697988286733,10.451702111457294,2.4549569528507744,6.822731051314177,0.2103680367190869,3.533811408680035,7.847256225089908,0.5394738640891475,6.750811804830869,0.37204061284674,21.48957739887433,3.533811408680035,7.847256225089908,0.5394738640891475,6.750811804830869,0.3497351653605244,21.48957739887433,62.0,150.95606,5.0,15.0,1.2399999999999998,167.0,0.0,0.0,0.0,0.0,-1.015,0.0,RSM1667,3.6605732489097256,4.3495636493831,5.052931940030763,5.753960268681367,6.440100773716866,7.102728340069513,7.736533821725419,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_29,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413182255003554,0.4841566558583451,1.2540015793153283,2.552655802632103,3.917644510704802,4.860790977343538,5.36472691514917,5.601772709132988,5.6909033026906455,2.073654374385151,0.3847342806395671,0.0203076723189321,7.376175596432122,1.5703632054052583,4.972156615045677,0.1253093981408947,5.804993468787605,13.198926776860349,0.7452766788295835,7.914837248402742,0.5232207408293117,28.03690963093016,5.804993468787605,13.198926776860349,0.7452766788295835,7.914837248402742,0.4450176369135745,28.03690963093016,62.0,150.95606,5.0,15.0,1.2399999999999998,167.0,0.0,0.0,0.0,0.0,-1.015,0.0,RSM1667,3.60557771203996,4.266666038914989,4.946994999185756,5.629994241854764,6.302764964210166,6.956080616426277,7.583948104164048,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_30,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140525061971561,0.4980926561822331,1.531783853678829,3.567668974532056,5.67774271212425,7.080548425830198,7.813189488662333,8.154126881489432,8.281741416577116,2.809447842239015,0.3891047543541303,0.0200852309010532,11.789490801465076,3.4670365202713547,7.572815519462135,0.6609255949061232,1.2956850845585843,2.851222404195562,0.2591370169117168,3.36878121985232,0.0906979559191008,11.66116576102726,1.2956850845585843,2.851222404195562,0.2591370169117168,3.36878121985232,0.0906979559191008,11.66116576102726,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.7406197975509112,4.421564103690367,5.113940008745884,5.802683776051093,6.476475140236023,7.127492855116892,7.750889686385433,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_31,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1453944996143148,0.6221664325575428,1.833460227371121,4.019694098240846,6.316474212331488,7.874011877533509,8.696280526830437,9.080817517285126,9.22504701042846,3.206673024112087,0.4739029175855666,0.0187529285887393,15.651626367281304,4.746763418123317,9.212642491992266,0.5302780271693288,1.8536245109353384,4.078997124787781,0.3707249021870676,4.81942372843188,0.1297537157654735,16.682620598418044,1.8536245109353384,4.078997124787781,0.3707249021870676,4.81942372843188,0.1297537157654735,16.682620598418044,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.96386900755317,5.402934840693543,5.857955286495942,6.325952169678754,6.802186693465415,7.281530689658719,7.759285669694003,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_32,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1451776193819245,0.6204302240077155,1.7436554662210366,3.606807247983287,5.5158680755756215,6.8103111030589165,7.495659257067288,7.816754176339669,7.937291089445261,2.924620253046038,0.4738409195036085,0.0186422897255309,13.67484767496237,3.988611088001549,7.984379845100142,0.3861447134867382,1.4115754722638354,3.106245228641128,0.2823150944527671,3.670096227885972,0.0988102830584683,12.704179250374516,1.4115754722638354,3.106245228641128,0.2823150944527671,3.670096227885972,0.0988102830584683,12.704179250374516,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,5.07686173288222,5.513503951744481,5.965460605654671,6.429892570796599,6.902212304364686,7.377434443705118,7.850983876482417,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_33,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.14652052512877,0.6277579376392463,1.8718817734643127,4.121668249927272,6.439308543406464,7.984283754229639,8.79254375377459,9.168961498424938,9.309901424213018,3.2890002115422923,0.4774664607169013,0.0190269040091027,15.792507863606597,4.8775696512020135,9.550948050162924,0.8431524347617252,1.6415680146999876,3.612355777884088,0.3283136029399975,4.268076838219968,0.114909761028999,14.774112132299887,1.6415680146999876,3.612355777884088,0.3283136029399975,4.268076838219968,0.114909761028999,14.774112132299887,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,5.001622023635832,5.429992196441069,5.876616943498463,6.338184927369273,6.809559048140192,7.285228983557172,7.760165273704101,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_34,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406061237412096,0.4832708804767814,1.3480414223341743,2.998627405516931,4.774642765476591,5.995072841247207,6.643646038173694,6.947869706157569,7.062119619891655,2.378690718727852,0.3828329132350674,0.020125579841641,10.413871207929374,2.4788784332198017,6.78438221171824,0.2097773768947376,3.3070160419532053,7.165737686335977,0.5532344429894985,7.732891585869194,0.4343075580638664,22.19133079949887,3.3070160419532053,7.165737686335977,0.5532344429894985,7.732891585869194,0.4343075580638664,22.19133079949887,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.5101264434348685,4.181794401052668,4.87285459653617,5.566174201431519,6.248509926361183,6.91047265995393,7.546035165615205,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_35,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406568447587588,0.4783605285140398,1.2480441106538946,2.569126833875769,3.903296643897593,4.793535445990948,5.26083621371035,5.478911148167459,5.56064059148172,2.0861450593297457,0.3812046381055349,0.0201356684174857,7.160319469296012,1.550610860375522,4.8274909823533045,0.1519313901114209,6.125684698853745,13.815587843948071,0.812142489776987,9.185097744915648,0.6118735006475783,30.587463917755947,6.125684698853745,13.815587843948071,0.812142489776987,9.185097744915648,0.5420876451428522,30.587463917755947,62.0,150.95606,5.0,15.0,1.2399999999999998,167.0,0.0,0.0,0.0,0.0,-1.015,0.0,RSM1667,3.5860889055998126,4.252610460771803,4.937322180544755,5.623669083651872,6.298912425448657,6.954029091643325,7.583222656776582,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_36,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399550294622208,0.4824833366303951,1.4107921748944974,3.3017033909743465,5.339504417240957,6.722549438007074,7.451525802388835,7.792088743985433,7.919765477269101,2.586718259032652,0.3814564685081202,0.0199497057236096,10.886260012426495,2.9468145845541724,6.933052831737768,0.4147171753253743,1.2031857306330478,2.647672765916014,0.2406371461266095,3.128282899645925,0.0842230011443132,10.828671575697433,1.2031857306330478,2.647672765916014,0.2406371461266095,3.128282899645925,0.0842230011443132,10.828671575697433,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.5933295464895405,4.265969943735845,4.954518235957353,5.64296308495403,6.319067787104324,6.974226960510482,7.602968408843464,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_37,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1450196017387262,0.6231083795613555,1.8726984815708667,4.187244308405926,6.626518144510844,8.273892393273645,9.140823407318496,9.545582827462995,9.69728876741632,3.323325928025377,0.4736874954658417,0.0186773015207005,16.62817310019316,5.160563199591502,9.693598567512131,0.6070056780266792,1.889437594489106,4.157805677428192,0.3778875188978212,4.912537745671676,0.1322606316142373,17.004938350401954,1.889437594489106,4.157805677428192,0.3778875188978212,4.912537745671676,0.1322606316142373,17.004938350401954,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.925316399636612,5.370309487219941,5.830869405771725,6.303886550429749,6.784579620657982,7.267837251208301,7.7490119998697535,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_38,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.144914979973613,0.6261530086457562,1.822263002868904,3.796205962100468,5.767274329673138,7.083261863406829,7.775058555294976,8.098167274241833,8.219305737758285,3.0799735928727325,0.4754049270084375,0.0186526244174672,14.30193429210506,4.474948142351372,8.267753840613375,0.5124819066782245,1.2806819775589462,2.8182072870812944,0.2561363955117893,3.32977314165326,0.0896477384291261,11.526137798030518,1.2806819775589462,2.8182072870812944,0.2561363955117893,3.32977314165326,0.0896477384291261,11.526137798030518,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.990917805255837,5.438509443784964,5.900672322185624,6.374387821873908,6.854998003855865,7.337528662722238,7.817468423127629,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_39,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1467601605948028,0.6139548235747653,1.6970582494568498,3.699751558046665,5.929156311287146,7.485105139129076,8.316308751962945,8.706915771748411,8.85370535124888,2.9382431117446144,0.472229614377562,0.0190839578468781,14.737251310968976,3.675464638897624,9.174424967904516,0.3637269572673728,2.8910770564689923,6.361965398766954,0.5782154112937985,7.516800346819381,0.2023753939528292,26.01969350822093,2.8910770564689923,6.361965398766954,0.5782154112937985,7.516800346819381,0.2023753939528292,26.01969350822093,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.954978516282321,5.383074559663836,5.829000897881822,6.289750719620784,6.7603982776058045,7.235559157749448,7.7102630886999135,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_40,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140723742993233,0.4803776030690059,1.3391571967095866,3.024472938685227,4.846050973982315,6.09107630868776,6.749872496002035,7.058197405489414,7.1738735217792575,2.388379489305401,0.3814925002079187,0.0201662208559808,10.565734482896348,2.502814926254489,6.896709676802363,0.2189624230038509,2.910905905553369,6.311628294720329,0.4910360733455219,6.839194492317545,0.3746604904483956,19.81799560641969,2.910905905553369,6.311628294720329,0.4910360733455219,6.839194492317545,0.3746604904483956,19.81799560641969,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.516471101480833,4.192011977123185,4.886435049682005,5.582535141531091,6.26706229224917,6.930663783082114,7.567372564296727,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_41,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413136370417551,0.4824667242468166,1.2480647120101729,2.5539422014824456,3.931113037985077,4.881772966363776,5.389173915226372,5.627706259606972,5.717371710898248,2.071113688026351,0.3838432716254315,0.0203130201345934,7.435323598297409,1.560021282881374,5.041162192604331,0.1239936610558766,5.287548573635667,11.91760308928033,0.708545042527256,8.058276371335872,0.5260443632161977,26.840403437727243,5.287548573635667,11.91760308928033,0.708545042527256,8.058276371335872,0.4672224226030854,26.840403437727243,62.0,150.95606,5.0,15.0,1.2399999999999998,167.0,0.0,0.0,0.0,0.0,-1.015,0.0,RSM1667,3.475713065496536,4.133615619414026,4.813401442761302,5.497900529499723,6.173669177964558,6.831021207253517,7.46359591008921,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_42,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402706142169252,0.4935612803631249,1.493099725429322,3.478566188596248,5.567406348239006,6.96916096006627,7.704596857829712,8.047532844996972,8.176003692700263,2.735217034038778,0.3868458336519486,0.0200210633026258,11.433777250542647,3.2636797427316693,7.376621281187325,0.5956398275509404,1.2908714433343516,2.840629736372294,0.2581742886668703,3.3562657526693145,0.0903610010334045,11.617842990009164,1.2908714433343516,2.840629736372294,0.2581742886668703,3.3562657526693145,0.0903610010334045,11.617842990009164,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.567023077071657,4.236945635237906,4.923351894662489,5.6102595043810055,6.285394483359466,6.940082369497196,7.568771253385488,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_43,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1453733730776123,0.6226783155778534,1.8426856127976508,4.045278856635106,6.35170259596413,7.912851525670085,8.736395802259429,9.121412350795566,9.265804648082565,3.227067728761224,0.4740718740516548,0.0187427579512567,15.785729051934473,4.821993478270343,9.282515542156862,0.555736281960019,1.8544390760038303,4.0807896175783815,0.370887815200766,4.82154159760996,0.129810735320268,16.689951684034472,1.8544390760038303,4.0807896175783815,0.370887815200766,4.82154159760996,0.129810735320268,16.689951684034472,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.947088479115511,5.3867945828576,5.842333784879491,6.3107194074140205,6.787238599863192,7.266801026188718,7.744744921040669,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_44,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1452405298672846,0.6198246250953443,1.740937646015544,3.604828646868024,5.518007666671806,6.816195170204947,7.503723226480457,7.825877052090006,7.946817086470334,2.9218444333611786,0.4735385606462717,0.0186660661833437,13.721528060225207,3.98055316934434,8.033540203492674,0.3857840758658594,1.4321208913536387,3.1514564917100327,0.2864241782707278,3.723514317519461,0.1002484623947546,12.88908802218275,1.4321208913536387,3.1514564917100327,0.2864241782707278,3.723514317519461,0.1002484623947546,12.88908802218275,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,5.068741772825349,5.506431064034935,5.959356387867753,6.424599897158177,6.897553592309675,7.373243207373743,7.847118399763428,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_45,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1466826085739697,0.6314453688392082,1.897735068749021,4.1750359284284535,6.507249350384001,8.05771689108668,8.867938316387544,9.245093898600969,9.38628380551028,3.334264769172713,0.4793371153184816,0.0190544841812226,16.044076916712807,5.035933310224366,9.682926388544386,0.9004381697813515,1.6637282064037338,3.661120432058149,0.3327456412807467,4.325693336649708,0.1164609744482612,14.973553857633604,1.6637282064037338,3.661120432058149,0.3327456412807467,4.325693336649708,0.1164609744482612,14.973553857633604,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.999040906871906,5.425651265610394,5.870423004075321,6.330148657278265,6.799781603852321,7.273876999730272,7.747444484398895,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_46,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406311752277069,0.4832821758318205,1.3461985305127946,2.980512595513466,4.729032117888608,5.928406482634001,6.565554349641398,6.864402669085279,6.976633685023361,2.368262569138134,0.3828470452440313,0.0201338966936375,10.286496833344764,2.457354635373985,6.690380382988051,0.2093507758976968,3.266144296453226,7.072908389871517,0.542258088903138,7.60420900767833,0.436700295228302,21.62734474095352,3.266144296453226,7.072908389871517,0.542258088903138,7.60420900767833,0.436700295228302,21.62734474095352,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.5812208290591814,4.260304970428905,4.956981026494728,5.65408576782313,6.338546445190314,7.001232035863574,7.636391421343244,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_47,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406614258599721,0.4803834991623914,1.265997526149949,2.617322933294852,3.976125716574347,4.879654721614783,5.353084261693143,5.573840229426221,5.6565466095512935,2.123861143583148,0.3821773948623468,0.0201294650162736,7.24944153013758,1.6205846819962286,4.859513344348379,0.1754227337440589,6.511355670638436,14.75072219507001,0.8419935575212438,9.199253538801567,0.6225506512565988,31.523794925143545,6.511355670638436,14.75072219507001,0.8419935575212438,9.199253538801567,0.5403752242388603,31.523794925143545,62.0,150.95606,5.0,15.0,1.2399999999999998,167.0,0.0,0.0,0.0,0.0,-1.015,0.0,RSM1667,3.707103746665208,4.371318962759589,5.051807576774729,5.732773925432198,6.402035916361649,7.050957474016518,7.673998579235558,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_48,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399436789448903,0.4834226024863828,1.4165477513625615,3.3033332238298545,5.33095409584524,6.707146203486802,7.432781321972743,7.771861495672103,7.898995827219419,2.591147865526307,0.3818588513232941,0.019945383224594,10.891887945818024,2.978823931181803,6.89813097951527,0.4038414039633293,1.2510804060316232,2.7530674896537,0.2502160812063246,3.25280905568222,0.0875756284222135,11.259723654284608,1.2510804060316232,2.7530674896537,0.2502160812063246,3.25280905568222,0.0875756284222135,11.259723654284608,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,3.7234216384328658,4.402892326545422,5.094643882456164,5.783445018359763,6.457791794202489,7.1096957975687545,7.734172990148682,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_49,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1448317199690049,0.6225651495243074,1.872703565136702,4.177900625556652,6.602138870512441,8.239317953101095,9.10111382785962,9.50354473275181,9.65438997465872,3.318558336958436,0.4731169407447233,0.0186538678982415,16.52851409501563,5.132275434376819,9.63575845721572,0.6106366495440237,1.8687652433577624,4.112315093801412,0.3737530486715525,4.858789632730183,0.1308135670350432,16.818887190219865,1.8687652433577624,4.112315093801412,0.3737530486715525,4.858789632730183,0.1308135670350432,16.818887190219865,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.926937687090813,5.375399283101657,5.838983119909508,6.3146359088150765,6.797608874782397,7.282817077912462,7.765641645710918,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_50,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1447399389403397,0.6247933248260833,1.8088076439543783,3.758257125701781,5.705047136446149,7.004971011576957,7.688395008148978,8.007614156207458,8.1272981009504,3.050904906585717,0.47467771318861,0.0186209889663195,14.168441772257504,4.378318248127004,8.202641209036805,0.4831029995827223,1.3561712857362136,2.984325435169396,0.2712342571472427,3.526045342914155,0.0949319900015348,12.20554157162592,1.3561712857362136,2.984325435169396,0.2712342571472427,3.526045342914155,0.0949319900015348,12.20554157162592,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.983017572173283,5.434095525007407,5.899399817010117,6.375941152625262,6.859076551186684,7.343845028376069,7.825752787523213,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_51,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1465547502291447,0.6133129371872813,1.6931116252910476,3.683758633481488,5.895546184213337,7.43835003310697,8.262463764652487,8.649740941585035,8.795280589912933,2.927486573467427,0.4717651168355163,0.019036243162478,14.592577609911377,3.629705113150072,9.090616749784925,0.3587831202524681,2.833805321784755,6.235935968464085,0.566761064356951,7.367893836640364,0.1983663725249326,25.5042478960628,2.833805321784755,6.235935968464085,0.566761064356951,7.367893836640364,0.1983663725249326,25.5042478960628,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1667,4.945811315154844,5.378446522453509,5.828390285745587,6.292617005997137,6.766210808660337,7.243817308238641,7.720509025358246,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_52,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1519176372997554,0.7729545377140136,1.810799433689611,3.1260134655393483,4.323989399331309,5.098224765354962,5.5000968517910085,5.686821722506352,5.756682818022004,2.670371299937921,0.5970360680268897,0.008797310231389,6.291631535861639,3.494623579225404,3.701110165312671,1.1696154920441428,1.6171955534451865,3.298667833379417,0.071205789823581,2.1868418720338347,0.5861411653638938,9.510093563697554,0.9051376552093766,1.7317474013008096,-0.071205789823581,0.3354913366207286,0.536297112487387,-9.510093563697554,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,6.851304324906365,7.677685151762055,8.502153952931515,9.316430443491033,10.113463336251574,10.88736787024472,11.633459797060508,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_53,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0976162656626546,0.7181779115296998,2.1541053006916817,3.993649033893643,5.542335073785591,6.506958806954046,7.001580120519638,7.230457569217509,7.315965513815223,3.3753761284317383,0.5155142224347297,0.0033062625722998,10.786858771525516,5.291798620236584,6.527818873770497,1.6966319670460115,1.0615136147165003,2.323324213653149,0.2000897529056908,2.662231637962027,0.0972052718506722,9.30936313169632,-0.939383914340408,-2.079754845708089,-0.2000897529056908,-2.540101937585935,-0.0428575551833111,-9.30936313169632,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,8.270243051413617,9.035946964958264,9.796301663066904,10.546974544278612,11.282660059204384,11.998096932654638,12.688711577028748,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_54,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170300313658277,0.8885964557512019,2.1297009960076374,4.1059953602727175,6.095218215950243,7.413573961848681,8.10159994225339,8.421663686021478,8.541445994102164,3.384471233713959,0.7018166234890456,0.02335102566481,13.757540250999137,5.756131526234299,8.33694311767841,1.6233329708411162,2.285800394859569,5.030022630509016,0.4571600789719139,5.94308102663488,0.1600060276401697,20.572203553736127,-2.285800394859569,-5.030022630509016,-0.4571600789719139,-5.94308102663488,-0.1600060276401697,-20.572203553736127,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.606267387760136,10.433231208190504,11.226838768991897,11.983627607898368,12.70159318150812,13.3798658412828,14.018447855699964,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_55,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166811805314673,0.9094243579319676,2.135141781559253,3.76191704714101,5.285195808897514,6.292461249545821,6.822077611104156,7.069663404581988,7.162534240912093,3.193300122767617,0.7133512067888848,0.0233258266446417,9.757403613738678,5.018340372392884,5.8170419162147065,1.672971940070325,2.11076420243169,4.644808952745271,0.4221165319692632,5.487696458185797,0.1478215726397334,18.99615165154372,-2.110401117260942,-4.64408483383499,-0.4221165319692632,-5.487333373015049,-0.1476599997387505,-18.99615165154372,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.918329766541657,10.70573356934622,11.46137416862193,12.18345026105938,12.870716182101589,13.52245253279802,14.13845183878869,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_56,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216208770264329,0.9049499958071958,2.157359420033371,4.042113166405625,5.953692296491658,7.247800078048467,7.932209244799647,8.252658306629215,8.372917213410918,3.3571735622109133,0.7108432266697909,0.023121960161487,11.850692908778594,5.620989073753106,7.12711397592481,1.6925389247229856,2.15103507945363,4.733464546161845,0.4302070158907261,5.592691206579438,0.1505724555617539,19.35931571508268,-2.15103507945363,-4.733464546161845,-0.4302070158907261,-5.592691206579438,-0.1505724555617539,-19.35931571508268,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.85275477921388,10.674477957955236,11.455065161434318,12.194540617746446,12.893462480608637,13.552643053203916,14.173080399770502,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_57,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1012002898294505,0.7113801060884513,2.232117824080046,4.706192144296,7.138776046322001,8.732732351404358,9.560862211370807,9.945411561186194,10.08922624570484,3.8110851382771846,0.5144129570753022,0.0035686551388221,17.636736543734962,7.0843217407349774,10.664702038640629,1.788531344786374,1.2474826151479863,2.7451503637291323,0.2494965230295972,3.243454799384765,0.0873237830603589,11.227343536331876,-1.2474826151479863,-2.7451503637291323,-0.2494965230295972,-3.243454799384765,-0.0873237830603589,-11.227343536331876,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.740601782651773,8.566215482761216,9.381409336724197,10.180446691339885,10.957818823669164,11.708715741631767,12.429307200591568,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_58,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0964294738461578,0.7103231713457754,2.386100365381376,5.050897104481894,7.521708624478443,9.087799934143908,9.88964242563888,10.259693578649085,10.397742616895451,4.107384991544479,0.5057078897729331,0.0034907868103837,20.43977511092628,8.411225854456793,12.083315387197764,2.054426887882113,1.28199460147754,2.821095784270604,0.2563989202955079,3.333185963841604,0.0897396221034277,11.53795141329786,-1.28199460147754,-2.821095784270604,-0.2563989202955079,-3.333185963841604,-0.0897396221034277,-11.53795141329786,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.210905144489466,8.082457448941277,8.938682300720044,9.772547154730844,10.5787672064606,11.353399073786065,12.093641943492578,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_59,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4240174500282628,1.3849823962328962,2.771520084103412,4.849415683111088,6.988117632776727,8.427393436130073,9.183674536517916,9.536516309082188,9.668721594557487,4.086361746143405,1.1427128086748644,0.0566213601080693,16.49113781870222,9.38701737033151,8.30598306116391,2.224161325313699,3.6646876022041153,8.06433563240547,0.732937520440823,9.5281877657307,0.2565281321542878,32.98218841983704,-3.6646876022041153,-8.06433563240547,-0.732937520440823,-9.5281877657307,-0.2565281321542878,-32.98218841983704,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,13.047969095688773,13.686168916448326,14.288119132634746,14.855262279807068,15.388186803975286,15.887422922007188,16.353783389062148,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_60,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1527439669838708,0.7728332797338604,1.83445599965358,3.2070665006477546,4.450814945470359,5.247387817287585,5.658572277090244,5.8491102803717325,5.920315924759545,2.7312590755834885,0.5965636226437673,0.0091460781826609,6.584684885074492,3.679048154878161,3.749379706979356,1.190874194647523,2.0871089386172264,4.359024548714178,0.1584770243922729,3.237993885670737,0.6068836006235501,13.24079936959088,0.5623034373020207,1.003610753184001,-0.1464840758707681,-0.7594810261829346,0.4960546218485223,-12.875014439684982,57.0,139.9533,4.0,2.0,0.8900000000000001,122.0,-5.0,-11.00276,-1.0,-13.0,-1.3649999999999998,-45.0,RSM1667,6.762475961944504,7.568506507399978,8.373045733937968,9.168596952815488,9.948650557080404,10.707680980363524,11.441200575305963,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_61,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005841620229409,0.7259575163584013,2.16343425435138,3.996637464070664,5.53193779093484,6.485714361848117,6.974320648915054,7.200342066551382,7.284773296209473,3.381744964065903,0.5224749521860413,0.0035653738954147,10.817674902132588,5.296574737643584,6.591931504598989,1.710323787922495,1.04404117538468,2.2820413653156035,0.1938466621925753,2.594814472925283,0.1011358314351036,9.097139120774903,-0.8944254465410738,-1.9836552364963576,-0.1938466621925753,-2.4451987440816763,-0.0345568320996989,-9.097139120774903,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,8.126722091173683,8.878278640069722,9.624481901214924,10.361371216603915,11.084169964750462,11.788100528811428,12.46893429065433,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_62,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2180182054008241,0.8947491412925922,2.145567424705156,4.099958638571208,6.051124156618324,7.345730822180237,8.022808866489308,8.338186306872359,8.456284930659107,3.390105846795957,0.7061135423228749,0.0233747643555987,13.56429388474118,5.696868141128573,8.260376750874602,1.644451686608166,2.060110179286609,4.53264949301112,0.4113139125235174,5.35062147947475,0.1455354438009452,18.526829146903395,-2.053028945948567,-4.518527035303396,-0.4113139125235174,-5.343540246136708,-0.1423842949655167,-18.526829146903395,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.396551777585229,10.202887199481316,10.981208927478074,11.727483945272176,12.43901905078856,13.11425204233874,13.752545570913751,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_63,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161868422616709,0.9085396415959032,2.1338035689093084,3.737967334927243,5.186645351550017,6.118928751875628,6.60256029852312,6.827302288397592,6.91139761412407,3.183351941101389,0.7126806639430106,0.0231448685242268,9.605361069124571,5.010079923429276,5.705534868844862,1.6723394246334702,2.3346892508072608,5.137592381836218,0.4669255142906072,6.070093365132118,0.1634513773143423,21.011956539848445,-2.334565892098812,-5.137346361396022,-0.4669255142906072,-6.069970006423668,-0.1633964826890823,-21.011956539848445,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.707914322319288,10.488805513477953,11.242365426806826,11.965608139297409,12.656344609945638,13.313134635881488,13.935235193279372,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_64,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166213775546988,0.9088325265158268,2.1798795399918056,4.057057909276998,5.902409381809873,7.130758093466002,7.7758232149136575,8.076985272372504,8.189878077084648,3.382703686609237,0.7132698556147563,0.0230743679583964,11.68682552241356,5.786477333061941,6.888618274115917,1.719280721026501,2.230333253759877,4.907964302227803,0.4460666507519753,5.798866459775679,0.1561233277631911,20.07299928383889,-2.230333253759877,-4.907964302227803,-0.4460666507519753,-5.798866459775679,-0.1561233277631911,-20.07299928383889,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.606363067297403,10.424004871953285,11.20487216533702,11.94771355991668,12.652081676946782,13.318044492524752,13.94606982924824,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_65,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1023125578030148,0.7151773875766482,2.237245750451109,4.700040930590971,7.116647975309784,8.699053520863234,9.520883355239404,9.902435535332506,10.045117369223597,3.809991120303224,0.5174252252379374,0.0036887005349867,17.567215520549937,7.02650734370774,10.644847809883345,1.7985661480028734,1.2378076257365285,2.723860046429769,0.2475615251473057,3.218299826914974,0.0866465338015569,11.14026863162876,-1.2378076257365285,-2.723860046429769,-0.2475615251473057,-3.218299826914974,-0.0866465338015569,-11.14026863162876,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.517184770325151,8.32461901131754,9.121572966150572,9.90340117629276,10.665456954082527,11.403493890707876,12.113961853338044,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_66,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0988121418799299,0.7185346731530082,2.3836098431722523,5.002146337756856,7.4444012071005154,9.006572955727679,9.810929260843372,10.183162353657938,10.322188837786916,4.074978134443997,0.5127698298082064,0.0036155960462711,20.177553331006138,8.169513067469401,12.039436944955336,2.0419612735668458,1.2640055915288375,2.781510032449966,0.2528011183057674,3.286414537974977,0.0884803914070185,11.376050323759536,-1.2640055915288375,-2.781510032449966,-0.2528011183057674,-3.286414537974977,-0.0884803914070185,-11.376050323759536,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.102299400493439,7.944953561444144,8.77658863994277,9.590530055341068,10.381376628325851,11.14479965235513,11.87748608181768,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_67,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4233475831765717,1.3831727078779763,2.764793247514004,4.788310745796385,6.853882089574792,8.247946076052864,8.982926621399027,9.326480959023383,9.455316419646357,4.049589547405999,1.1408241173661189,0.0566165545966338,15.948487120368195,9.215732941686158,7.93231217354334,2.1943352554950133,3.67073842100577,8.07765077382109,0.7341476842011541,9.543919894615,0.2569516894704036,33.036645789051924,-3.67073842100577,-8.07765077382109,-0.7341476842011541,-9.543919894615,-0.2569516894704036,-33.036645789051924,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,13.163054431564133,13.793875624476428,14.390095835462803,14.952449790706217,15.481093696271277,15.976314219373858,16.438800517775732,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_68,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1551529923042292,0.7747303703466596,1.8096327599882591,3.121643631074976,4.30856534895561,5.071090114914758,5.465646052189269,5.648710610614002,5.7171617245431,2.667892540435442,0.5996131553606985,0.0095022046694772,6.261925714155223,3.514610639971265,3.6642289346421264,1.1756286836054572,1.7438529105535463,3.57614125232474,0.0953319562004967,2.50650856015752,0.5972671273203968,10.625903676777666,0.7905333485485788,1.4783119835155831,-0.0953319562004967,0.0278776989446044,0.530534757980049,-10.625903676777666,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,6.665691479997472,7.476256821204347,8.284059180953651,9.081732720217207,9.863087324345251,10.622934786384793,11.357066946927818,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_69,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0995748841099162,0.724310486446046,2.16618641594461,4.004691914297097,5.547026705745595,6.506139681692896,6.997577793813505,7.224908326749198,7.309826826099606,3.3877540824120467,0.5204786937684449,0.0035113923784502,10.83829863008698,5.323247453418763,6.555595801352593,1.7132296208373676,1.0537206069235652,2.299851504805269,0.1923975639297936,2.5929011183619144,0.1081602377126233,9.1165543132137,-0.8702550323743715,-1.9339569362030844,-0.1923975639297936,-2.409435543812721,-0.0265180570382321,-9.1165543132137,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,8.141300006626198,8.89755480132285,9.647282007742945,10.386781020119152,11.11145009952782,11.81664307861324,12.498239112954284,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_70,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175233636394274,0.8919543372537675,2.13690368431856,4.105445246015539,6.078154634512647,7.382800092457312,8.063003113133274,8.379289681355784,8.497637034581894,3.388135121793177,0.7042393339051892,0.023339978983837,13.717727700192713,5.741495597002521,8.329756657041319,1.6361674785157667,2.262177902750765,4.9780401082540005,0.452435580550153,5.881662547151987,0.1583524531925534,20.35960112475688,-2.262177902750765,-4.9780401082540005,-0.452435580550153,-5.881662547151987,-0.1583524531925534,-20.35960112475688,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.343622748665846,10.157576990847566,10.942894753302266,11.695477646294016,12.412614857184067,13.092762603294618,13.735325462992304,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_71,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170872538519447,0.91090384163643,2.138282548803035,3.758308883610311,5.265494870349206,6.259287028300681,6.781317051783127,7.02527484850355,7.116773762344471,3.19354421300505,0.7145370738248541,0.0233538773603866,9.69867935857477,5.007368555448799,5.794890608828121,1.6778126487031044,2.1174357291465,4.659135498774406,0.4231070041523208,5.502291762365066,0.1489332666845907,19.04931872877892,-2.1136343123767083,-4.651554143239572,-0.4231070041523208,-5.4984903455952745,-0.1472416362220335,-19.04931872877892,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.721139381068449,10.496977892106218,11.245702153319815,11.9646121908553,12.65162544027886,13.305309048483052,13.924876967843428,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_72,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170167366416607,0.9073744157934936,2.148439370893229,3.991759764185711,5.861214585992534,7.130992817939109,7.804011677552187,8.119469965620072,8.237911153922443,3.32288064369052,0.7131490112743379,0.0231249059100138,11.532263882451383,5.488484976119215,6.954531737040702,1.6789678800479089,2.1169257715263687,4.658405240383895,0.4233851543052738,5.504007005968559,0.1481848040068456,19.05233194373732,-2.1169257715263687,-4.658405240383895,-0.4233851543052738,-5.504007005968559,-0.1481848040068456,-19.05233194373732,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.638976940008698,10.452700036823124,11.229931868422652,11.969454697137852,12.670828201043848,13.334113990884727,13.959765769771762,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_73,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.102402239439446,0.7152486089999519,2.233204679429571,4.688250164225727,7.100547975363606,8.682680189096839,9.505262316503735,9.88737952166282,10.03030824684238,3.800736650349021,0.5176240715029388,0.0036960038876673,17.496713451616642,7.01201935721915,10.606424777615542,1.7945851835556708,1.2310689738564975,2.709031292557864,0.2462137947712995,3.2007793320268942,0.0861748281699547,11.07962076470848,-1.2310689738564975,-2.709031292557864,-0.2462137947712995,-3.2007793320268942,-0.0861748281699547,-11.07962076470848,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.536084553318957,8.342255731123375,9.137948661274786,9.918554827717225,10.679448582832125,11.416394729358451,12.125848161976874,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_74,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0979450461650622,0.7158410190317198,2.390314826770332,5.038435689473928,7.491045019218775,9.046836638322494,9.84399529297264,10.212033011553055,10.349355555361974,4.101741854546702,0.510388948966422,0.0035517332723815,20.33792104157563,8.35490241201851,12.053251333412735,2.0579513089197854,1.27038734492196,2.7955534126427084,0.2540774689843919,3.303007096797096,0.088927114144537,11.433486104297636,-1.27038734492196,-2.7955534126427084,-0.2540774689843919,-3.303007096797096,-0.088927114144537,-11.433486104297636,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.100728845791225,7.947385141883338,8.783208911204799,9.601253515676044,10.395921888895725,11.162762447796812,11.898399516378973,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_75,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4240681100988906,1.3850530696944094,2.776489769953867,4.869238767349223,7.02182172312835,8.469315108038348,9.229667563727812,9.584365321537945,9.717259919584992,4.100679634763912,1.142692558436811,0.0566572205228487,16.611204620817908,9.436526906784096,8.379324228581497,2.2368233877922483,3.665539859552913,8.06621106901888,0.7331079719105824,9.530403634837572,0.2565877901687036,32.98985873597621,-3.665539859552913,-8.06621106901888,-0.7331079719105824,-9.530403634837572,-0.2565877901687036,-32.98985873597621,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,13.04407729927862,13.683383361510629,14.28630988351437,14.854254412963188,15.387803964714218,15.887506697676558,16.354200049604042,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_76,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1480134304364543,0.7683412461578488,1.838410696386113,3.222114326450039,4.472373782009455,5.271323180016332,5.68325428602199,5.874036948955967,5.94531826690448,2.74285610229246,0.5912459969404157,0.0082496540764157,6.644368064047575,3.6884112148057686,3.78509047579588,1.191447185098088,1.8522842208559904,3.839863296503896,0.1086488562523529,2.602660794803058,0.5954160836387287,11.064246061565,0.826726056317977,1.5830692264134418,-0.0964627766552497,-0.0973021518878104,0.5194685124585564,-10.692570633853354,57.0,139.9533,4.0,2.0,0.8900000000000001,122.0,-5.0,-11.00276,-1.0,-13.0,-1.3649999999999998,-45.0,RSM1667,7.038501614509689,7.884587219456636,8.72504505429813,9.552060722063263,10.358821612109224,11.139639261518242,11.890055822956136,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_77,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0986001528376822,0.7187071251720574,2.146634651280872,3.973800347058148,5.504524731869787,6.4541284947077,6.94009057568477,7.164770057689237,7.248680822681872,3.360512158928132,0.5168419522475556,0.0033635892634944,10.690269641246855,5.226487031061513,6.535298989515544,1.6859712145572474,1.0373303958773483,2.2702874498714385,0.1954273720462931,2.600749372247693,0.0951857035786203,9.095199420312603,-0.9169433245855828,-2.030193494240706,-0.1954273720462931,-2.480362300955928,-0.0416134568537846,-9.095199420312603,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,8.292394538329608,9.054656605919018,9.81211961570247,10.560307284932712,11.293841242079214,12.007418292818468,12.696434221403798,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_78,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171552647645791,0.8900142077273991,2.1313449290167337,4.073216377691098,6.011238574100279,7.295750965063412,7.967065070659498,8.279644285279558,8.396676669812603,3.3677687377370225,0.7026177704416895,0.0233517231293816,13.418992090579724,5.624828406848821,8.18467998943176,1.6198987073756752,2.051408657553265,4.51402153448176,0.4100781547127613,5.332033895255357,0.1439803125247756,18.45860638202156,-2.0493728895743475,-4.509961500613004,-0.4100781547127613,-5.329998127276438,-0.1430743957741569,-18.45860638202156,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.639224961806503,10.463457806581705,11.254073473182505,12.0077411437986,12.722580086237496,13.397820905451145,14.033538265870003,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_79,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2156319187920008,0.9064002739594296,2.1279492552741788,3.725012233181684,5.166481587540299,6.093911606471086,6.574971564947083,6.798506892986172,6.882148854542105,3.173003342242197,0.7109432407482809,0.0231309742364984,9.507311002157582,4.961526264282442,5.653018455411224,1.6607519902564618,2.322139230516417,5.109988127991364,0.4644278461032834,6.037561999342684,0.162549746136149,20.89925307464776,-2.322139230516417,-5.109988127991364,-0.4644278461032834,-6.037561999342684,-0.162549746136149,-20.89925307464776,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.929550624024683,10.723605311238202,11.48481776719488,12.211316351572648,12.901940437887175,13.556117265253722,14.173798822447338,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_80,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2155972750692307,0.9057016734301274,2.16835615087664,4.019213963617513,5.833211907300747,7.039885993400874,7.673527447964839,7.969363857861266,8.080262637247703,3.3553816505841736,0.7106336955550214,0.0230026373670042,11.504622497914315,5.676644835743816,6.799160366427981,1.696529492515657,2.2183203759328647,4.881529339899816,0.4436640751865728,5.767632977425447,0.1552824263153003,19.96488338339578,-2.2183203759328647,-4.881529339899816,-0.4436640751865728,-5.767632977425447,-0.1552824263153003,-19.96488338339578,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.831981688523738,10.65902897324336,11.444007481662096,12.18708303705072,12.888946012450232,13.550521130476827,14.172899324441731,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_81,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.100951750304945,0.7099271982643715,2.220749255799746,4.665252577486672,7.068719615156042,8.645663955068704,9.465602258486694,9.846486367010437,9.988951797127816,3.781413120648284,0.5134430969094151,0.0035510512650952,17.42833164301455,6.912628213650917,10.589278394728304,1.7683702807838697,1.2327867088363738,2.7128112577032995,0.2465573417672747,3.205245442974572,0.086295069618546,11.095080379527362,-1.2327867088363738,-2.7128112577032995,-0.2465573417672747,-3.205245442974572,-0.086295069618546,-11.095080379527362,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.799317956510012,8.620402937477426,9.431581294630918,10.227127545536522,11.001479906053618,11.74975342483238,12.468042823735994,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_82,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0974294949264576,0.712726634613668,2.369562592682287,4.9731805505485465,7.398889906085393,8.949540834560542,9.747747608523296,10.11709139779671,10.25503212284432,4.051676230513705,0.5081167520360228,0.0035698285455357,19.99162062636908,8.078923506601543,11.940558678175783,2.0219227135862377,1.2569863141821134,2.766063747646078,0.2513972628364227,3.268164416873495,0.0879890419927478,11.31287682763902,-1.2569863141821134,-2.766063747646078,-0.2513972628364227,-3.268164416873495,-0.0879890419927478,-11.31287682763902,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.204392334106341,8.071350162874221,8.923143494061353,9.752869500852404,10.555347341691077,11.326701980721053,12.064165120873604,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_83,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4231808191140105,1.3835656422494835,2.7714083792953605,4.803885655890453,6.869895082275567,8.260416249860931,8.99256692357515,9.334600275893,9.462834804351523,4.062897977192345,1.1409088501910192,0.0565526010401259,16.022454381378687,9.272209195871095,7.954839763099516,2.2091675127962844,3.671231882114241,8.078736660650259,0.7342463764228484,9.545202893497027,0.2569862317479966,33.041086939028176,-3.671231882114241,-8.078736660650259,-0.7342463764228484,-9.545202893497027,-0.2569862317479966,-33.041086939028176,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,13.119324382369737,13.75421188525868,14.353882749234756,14.91928193618202,15.450675395630247,15.948408919314112,16.41320597332774,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_84,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1515736176767237,0.7732552917377283,1.81700235376244,3.145453967412471,4.353095271431544,5.131746785970284,5.53543190276707,5.722902205174535,5.793027478207882,2.685272073577156,0.5970257705350174,0.0087095226669859,6.347996971494699,3.546681491025875,3.7053163388245136,1.1758633863678218,1.6433858781269384,3.3558974028899846,0.07558645897297,2.2463860120747547,0.5892242798807189,9.72338877914365,0.8883887436977218,1.6944869487275038,-0.0754129679128732,0.2829163621435251,0.5363152766464158,-9.718097301810696,57.0,139.9533,4.0,2.0,0.8900000000000001,122.0,-5.0,-11.00276,-1.0,-13.0,-1.3649999999999998,-45.0,RSM1667,6.861389869969547,7.687951244523554,8.512537751066985,9.326952593961328,10.124172516084762,10.898307743776002,11.644653861873524,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_85,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0970238896534867,0.716269687283821,2.1523363540555565,3.996488444972007,5.548800402285335,6.514095368603712,7.008463603952294,7.237082469201029,7.322470818953399,3.3763961716727984,0.5138941388549401,0.0032590947717938,10.794164894161764,5.299833939269444,6.527375549221404,1.6950961875893722,1.0579080721609369,2.3130899470799817,0.1971377419868061,2.6350100080553864,0.1011358258863552,9.23229520054081,-0.9134693477071254,-2.0250285769655223,-0.1971377419868061,-2.4905712836015748,-0.036860593504409,-9.23229520054081,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,8.293349264737234,9.060399461484176,9.822346700592854,10.574733349653467,11.312116301575765,12.029119103935844,12.72108773665726,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_86,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167319899965934,0.8865944222223616,2.118933410153943,4.078506418651729,6.051344568628728,7.359403325272799,8.042268758417908,8.359984473493952,8.478896788783649,3.363092108600936,0.7005206023261418,0.0233283933179403,13.603648289654796,5.701366211006564,8.255150357763851,1.6089476130874023,2.3087627181403776,5.080552416929244,0.4617525436280755,6.002783067164983,0.1616133902698263,20.778864463263403,-2.3087627181403776,-5.080552416929244,-0.4617525436280755,-6.002783067164983,-0.1616133902698263,-20.778864463263403,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.653981885974476,10.483014316792705,11.277664944810752,12.034679118229798,12.752235005019156,13.429619175841973,14.066963851268108,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_87,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.21704555009203,0.9105691218329072,2.140029077329116,3.773663481270802,5.303408175296403,6.314433107240286,6.845812595322467,7.094170009202517,7.187321594280701,3.202550246481678,0.7141757445875683,0.0234060717422163,9.829407542223604,5.0460373583904685,5.847032589142949,1.6796126604719783,2.1057458959591404,4.633096871388632,0.4204639564917109,5.469457547892828,0.1486870052798592,18.93800860962992,-2.0988936689579694,-4.619431132468845,-0.4204639564917109,-5.462605320891657,-0.145637764264338,-18.93800860962992,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.972154896173826,10.755037168708622,11.506034075339208,12.223537276049989,12.906435751656211,13.554095186503536,14.166354167935884,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_88,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168107952391877,0.9064318866032348,2.1656081565865373,4.07395787763957,6.01282430137444,7.324192443694682,8.017082426771232,8.341334226589895,8.462991950388242,3.3794916391891743,0.7120548634213167,0.023225175820821,12.083388860570976,5.683834665394654,7.277326783097767,1.7016393175756397,2.1498953705494555,4.730956557453346,0.429979074109891,5.589727963428583,0.1504926759384617,19.3490583349451,-2.1498953705494555,-4.730956557453346,-0.429979074109891,-5.589727963428583,-0.1504926759384617,-19.3490583349451,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.867330912434428,10.687502435979198,11.4655306994088,12.201890570861712,12.89748200123354,13.553360185527724,14.170683469630026,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_89,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1010833262574402,0.7109782659484144,2.234404122790805,4.716685778797306,7.157074561234823,8.75583485168885,9.5864010313242,9.972072757313798,10.116306076641708,3.8185486349186046,0.5140259427974896,0.00356583524826,17.73496101948096,7.115319219295422,10.71468942071957,1.7911851105045378,1.254965988268608,2.7616179154164624,0.2509931976537216,3.262911569498381,0.0878476191788024,11.29469389441747,-1.254965988268608,-2.7616179154164624,-0.2509931976537216,-3.262911569498381,-0.0878476191788024,-11.29469389441747,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.778156196007198,8.591602275219895,9.395241200573764,10.183745613304128,10.951824577380057,11.694744854146222,12.40865560691399,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_90,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0958881634352296,0.7081001745325142,2.383179988029491,5.047422122178103,7.514259379514241,9.076251109660337,9.875619015893449,10.244454660331268,10.382039246164537,4.104494259552472,0.5038914824539995,0.003466334433484,20.39463343682108,8.410530381969775,12.049018491291989,2.050417418871037,1.286633868300177,2.831304732155691,0.2573267736600353,3.34524805758046,0.0900643707810123,11.579704814701593,-1.286633868300177,-2.831304732155691,-0.2573267736600353,-3.34524805758046,-0.0900643707810123,-11.579704814701593,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.239757635844096,8.11350605768229,8.971354455328669,9.80630771352749,10.61312999666122,11.387939094614852,12.128002042238716,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_91,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4241855587786763,1.3850694944976008,2.7681765296532497,4.832458548144889,6.955107247295712,8.384073017391032,9.13516595036788,9.485641357952415,9.616968706191026,4.074989916002202,1.1429185854441934,0.0566538386216266,16.330428503571817,9.340673614583586,8.198629640982816,2.2171789321654227,3.6635759120917615,8.061889300505351,0.7327151824183525,9.52529737143858,0.2564503138464231,32.97218320882586,-3.6635759120917615,-8.061889300505351,-0.7327151824183525,-9.52529737143858,-0.2564503138464231,-32.97218320882586,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,13.022539959143677,13.663999884584168,14.26829588605693,14.837178117431806,15.37144269357054,15.871756022360069,16.339018483648985,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_92,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1526219670245155,0.7727460370841411,1.8369800843348392,3.216947653938863,4.466463229705274,5.26566770097796,5.677908980232917,5.86887391039348,5.940229469064957,2.7385109035261226,0.5964092892085602,0.0091319864497449,6.62064438953356,3.707844442837173,3.75614893071721,1.1942303995374524,1.9556766215744583,4.068882331458115,0.1294216677530468,2.867300941578016,0.601432791828498,11.98129066356068,0.7249209809777426,1.3605405450317307,-0.1167294603662962,-0.3675672942870098,0.5109486812159993,-11.594178338264786,57.0,139.9533,4.0,2.0,0.8900000000000001,122.0,-5.0,-11.00276,-1.0,-13.0,-1.3649999999999998,-45.0,RSM1667,6.7723823255944176,7.579945451746,8.386804707112116,9.184985300551263,9.967647081051854,10.729058441868892,11.4646205411755,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_93,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006201081122261,0.7259250619096648,2.164363439661503,4.002130297091894,5.541145512359422,6.496519735654428,6.985721033599655,7.2119699207803745,7.296478733376465,3.385539838348611,0.5224899537761445,0.0035654446981108,10.823514896928693,5.312766115817969,6.592081051495037,1.7127309790309304,1.033894930197165,2.2593727520634426,0.1914864046175366,2.5657861671374578,0.1010462352798571,8.999202743336555,-0.8809691159782014,-1.9543851544758524,-0.1914864046175366,-2.4128603529184947,-0.0329942479524183,-8.999202743336555,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,8.143788063959386,8.894304370899263,9.639878619368575,10.376411341013403,11.099011430195691,11.802817602239998,12.483545549034496,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_94,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177382561518692,0.8937752066588611,2.141573567678706,4.091617663735821,6.038345877574125,7.32932050482312,8.004233967137756,8.31853945908306,8.43622624276968,3.3832412631477577,0.7053913735104239,0.0233326775821926,13.508112774447742,5.678593780841444,8.231514418101836,1.6395427064401742,2.055384261887283,4.522210906436145,0.4103309412529866,5.338031791911177,0.1452754816904909,18.48354013449615,-2.047925150642583,-4.507334827925277,-0.4103309412529866,-5.330572680666477,-0.1419561771865994,-18.48354013449615,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.38674225402915,10.195740713069418,10.976414547020996,11.724744475708594,12.438052972634338,13.114796812682108,13.754360540916736,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_95,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2164162921313569,0.9091632065496074,2.134512622413137,3.73624155812544,5.181402984379895,6.110877496799628,6.592884844591998,6.81683380640089,6.90062621867424,3.182684505949488,0.7131815191565329,0.0231930053102788,9.577063787940704,4.989339039509832,5.699471702048403,1.6714967379020391,2.3281485232392973,5.123205128947201,0.4656231478112803,6.0531337057295405,0.1629826906953366,20.953205572422096,-2.3280829548735054,-5.123074362676884,-0.4656231478112803,-6.0530681373637485,-0.1629535127725592,-20.953205572422096,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.735320255047704,10.512458276650865,11.262832956164788,11.983363551560144,12.671787522956654,13.326604827493211,13.947022145887088,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_96,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167759182875283,0.9091193385207438,2.171130808948993,4.018213857218887,5.83054915203583,7.037575128587902,7.671831151530303,7.968049136932198,8.079105950334908,3.355619660906925,0.7136698546347395,0.0230863257874822,11.522215183357806,5.672963087105269,6.814007900673013,1.7030576178327936,2.21682141153741,4.87823079080147,0.4433642823074819,5.763735669997265,0.1551774988076185,19.951392703836685,-2.21682141153741,-4.87823079080147,-0.4433642823074819,-5.763735669997265,-0.1551774988076185,-19.951392703836685,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.64240405476945,10.456326141039268,11.233771453308217,11.973501352555774,12.675068319895924,13.338529151714251,13.964332889772963,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_97,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1026560293332789,0.7162662720391351,2.234519203748548,4.680697208804047,7.081604916034601,8.656493589441617,9.475415182925737,9.855851206788444,9.998153659004974,3.79711653671179,0.5184016227748197,0.0037098542447164,17.4962686770861,6.96664619672142,10.621255515982794,1.7925282597655976,1.225676419010243,2.6971646952058284,0.2451352838020486,3.186758689426632,0.0857973493307169,11.031087771092189,-1.225676419010243,-2.6971646952058284,-0.2451352838020486,-3.186758689426632,-0.0857973493307169,-11.031087771092189,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.53247357250418,8.336044436291903,9.129553277098958,9.90837187951626,10.667845146080774,11.403701634962756,12.112356318424853,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_98,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0986380147497959,0.7177386740615721,2.3808073286478217,4.994321408445464,7.430450098523057,8.988132062220947,9.790012165583768,10.161061958317095,10.299640443628771,4.069151272368926,0.51217012547456,0.0036036074306825,20.120979185490405,8.142744308748084,12.013993130881582,2.037805429917001,1.249384336235786,2.749335199872331,0.2498768672471571,3.2483992742130425,0.0874569035365049,11.244459026122074,-1.249384336235786,-2.749335199872331,-0.2498768672471571,-3.2483992742130425,-0.0874569035365049,-11.244459026122074,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.095206877770136,7.938436535510128,8.770888750771856,9.585769809532705,10.377590279242847,11.141961482978846,11.875533075336138,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_99,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4233190365796563,1.3832756866412212,2.768620068211805,4.800176029984028,6.870566929450828,8.266069394512073,9.001323212670076,9.344902265906656,9.47373089880125,4.058826603322419,1.1408121482087306,0.0566144175677217,15.992083275547632,9.24595125345462,7.9520417406694515,2.202696688406846,3.67075838505749,8.07769470575503,0.7341516770114981,9.543971801149477,0.2569530869540241,33.03682546551741,-3.67075838505749,-8.07769470575503,-0.7341516770114981,-9.543971801149477,-0.2569530869540241,-33.03682546551741,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,13.11953877088852,13.75450843138893,14.354313399410271,14.919809019586888,15.451231820444946,15.948925532375002,16.41362240588591,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_100,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1553610397545216,0.7757605937321023,1.810390165374639,3.116320865794449,4.295724149986657,5.0535374257954215,5.445783402021868,5.6278108225616,5.695879987486042,2.665173128156426,0.600424529365192,0.0095053819924236,6.230650647275841,3.5001941054223,3.6514175322509694,1.1763732989053362,1.721083530744706,3.527354081105395,0.0920564704170568,2.457535294081161,0.5932762891494129,10.446547062064669,0.8005188265741383,1.5016035802134429,-0.0920564704170568,0.0640670632376837,0.5288367598574731,-10.446547062064669,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,6.686985477841096,7.49089103085725,8.294075578730526,9.088568475148763,9.867745780581288,10.626111577024174,11.35924159587805,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_101,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0997316689239061,0.7250220460306944,2.168280462680083,4.008372509884358,5.549198614424937,6.5059503420452165,6.99585889347937,7.222424224907378,7.3070487073031805,3.391193362947142,0.5210439912469821,0.0035162260086392,10.848079182965725,5.339037039235118,6.554714692433408,1.7177247106687847,1.0531228945008329,2.3027458322041707,0.1963610319554949,2.624011150144792,0.1004627531363176,9.192835111614064,-0.9104874250541162,-2.018280783713111,-0.1963610319554949,-2.481375680698075,-0.0369899692325286,-9.192835111614064,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,8.145783515771782,8.899953899714022,9.648354129010936,10.387075484234073,11.111348588319467,11.816399858434648,12.498015520624364,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_102,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172969775277472,0.8909543514756438,2.133236049120422,4.096953977793829,6.06540131548619,7.368033436618314,8.047492820001981,8.363508150499555,8.481766313929965,3.3814105199395854,0.7035098423553178,0.0233244117444112,13.68327712918393,5.737903423784903,8.305706512960358,1.6325191372080512,2.2970976192031607,5.054882760132754,0.4594195238406321,5.972453809928218,0.1607968333442211,20.673878572828443,-2.2970976192031607,-5.054882760132754,-0.4594195238406321,-5.972453809928218,-0.1607968333442211,-20.673878572828443,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.364627875602904,10.17933029494311,10.965357037670472,11.718550347220814,12.436164034056604,13.11663771749349,13.759373266590304,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_103,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174370629119966,0.912229994600093,2.143508840865102,3.774656453894788,5.298085819103518,6.30447213124361,6.833479547229396,7.080760055922513,7.173513844786474,3.205146650121226,0.7155232268827975,0.0234022870754407,9.824433376175966,5.050523050336853,5.858478889494685,1.685764645501012,2.118527862141284,4.661732721499169,0.4235135252206081,5.506636063906148,0.1486570388642308,19.062909815118584,-2.116607390064797,-4.657902628013428,-0.4235135252206081,-5.504715591829662,-0.1478024287901945,-19.062909815118584,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.713093227840318,10.48312314687884,11.227208928957577,11.94251611623226,12.626819294440065,13.27854642969556,13.89678282492184,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_104,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175178816500872,0.909328169794715,2.167707350442821,4.061598172373197,5.980470396616865,7.278420972534912,7.964542236515325,8.285721804698694,8.406243532408945,3.373540331752708,0.7144672772017998,0.0231999292261564,11.961813962542656,5.671485284800134,7.19523284489063,1.7086748700625176,2.140079624015067,4.7093564967856025,0.4280159248030133,5.564207022439173,0.1498055736810545,19.2607166161356,-2.140079624015067,-4.7093564967856025,-0.4280159248030133,-5.564207022439173,-0.1498055736810545,-19.2607166161356,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.609692516949613,10.423399266596796,11.200499094218875,11.939906855233009,12.64125770783707,13.30464900572072,13.930544222651683,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_105,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1027619301095471,0.7170932085790155,2.2443093742558275,4.721889688477598,7.154226824146689,8.746990168972234,9.574282567609036,9.958401624103043,10.10204922821022,3.826128968962604,0.5189162055891776,0.0037180584506879,17.725387628727866,7.12631647845725,10.714936721013151,1.8108181224465472,1.246058011369169,2.742015449034448,0.2492116022738337,3.23975082955984,0.0872240607958417,11.21452210232252,-1.246058011369169,-2.742015449034448,-0.2492116022738337,-3.23975082955984,-0.0872240607958417,-11.21452210232252,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.517822820330118,8.323867788513866,9.11958587270484,9.90031697663082,10.66140723810477,11.398606548644889,12.108361246836928,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_106,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0977071861872244,0.71503608332749,2.3928903209528443,5.054565304499701,7.521666618325361,9.086347805810108,9.887866777285192,10.257866473870534,10.395912454934477,4.112545592582634,0.509670659628065,0.0035358964217,20.460087182978103,8.416632450390564,12.1090272300916,2.0625653916856623,1.278321139367125,2.813012139876606,0.255664227873425,3.323634962354525,0.0894824797556986,11.504890254304122,-1.278321139367125,-2.813012139876606,-0.255664227873425,-3.323634962354525,-0.0894824797556986,-11.504890254304122,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.081928475041072,7.930210849807072,8.767817309059247,9.587692948232585,10.38415935780647,11.15270876582272,11.889930401169748,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_107,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4241701715207309,1.3848553552220977,2.770742598119297,4.849588677736945,6.99032786288974,8.431013413578277,9.187997840217974,9.541155651640006,9.67347719849587,4.085968945242403,1.142691503051662,0.0566875993970375,16.492356453477864,9.378398849198282,8.315316859880205,2.2218574421848167,3.665116599416268,8.065279663078668,0.7330233198832535,9.529303158482296,0.2565581619591384,32.98604939474641,-3.665116599416268,-8.065279663078668,-0.7330233198832535,-9.529303158482296,-0.2565581619591384,-32.98604939474641,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,13.052993123515986,13.691172612405769,14.293034733820608,14.859999964107388,15.392665656763276,15.891581929423731,16.3575828662948,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_108,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1481378149838057,0.7680995558685054,1.8398869881651176,3.236602578153427,4.5045768822413645,5.3158180775283554,5.734159350147412,5.927910162366352,6.000299327833967,2.751688003952341,0.5911308330293235,0.0082921051280621,6.7344505769964,3.724007514260244,3.82661188965106,1.1939311724122843,1.7067358936616055,3.5127823818457484,0.0779431494715978,2.229596665297347,0.5920554392373327,9.778871751774586,0.9789374369646224,1.9112240323642888,-0.0676165418677987,0.3089225069747431,0.5375855924237477,-9.463910219858713,57.0,139.9533,4.0,2.0,0.8900000000000001,122.0,-5.0,-11.00276,-1.0,-13.0,-1.3649999999999998,-45.0,RSM1667,7.064385840926184,7.896366323189198,8.724254368014034,9.540261128418887,10.337571346394045,11.110447617013277,11.854339744122866,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_109,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0981824729131048,0.7176498773170452,2.148577500706067,3.989139799945417,5.539230963690105,6.503869340172444,6.998252847198063,7.22697289944902,7.312415144009251,3.3700985049363936,0.5158174049801001,0.0033361999195041,10.77339812738957,5.262580253254955,6.573755097751183,1.689709392687843,1.0367611784303148,2.274259919156223,0.2003814346647697,2.639812655748472,0.0856435344050468,9.191434585446968,-0.9670531682173822,-2.1352377489880605,-0.2003814346647697,-2.57010464553554,-0.0546234698602918,-9.191434585446968,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,8.300450190805105,9.058589559969224,9.812317856829248,10.557301160370075,11.288192975846975,11.99966118771112,12.687043813755084,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_110,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172180356610588,0.8899823215951188,2.1300668371727127,4.074006566221032,6.019375678324333,7.310777541134922,7.986175108153943,8.30075273872193,8.41854813363144,3.367095492044508,0.7026964073624369,0.0233448454399242,13.431424895872162,5.626937967891152,8.192399680385122,1.6184705518021516,2.034015585883667,4.475957065547476,0.4068031171767334,5.288440523297535,0.1423810910118565,18.306140272953,-2.034015585883667,-4.475957065547476,-0.4068031171767334,-5.288440523297535,-0.1423810910118565,-18.306140272953,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.65890042493825,10.476240884629805,11.26116148471548,12.010248268734944,12.721474274427791,13.393910075247796,14.02748068305034,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_111,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160361472149836,0.9074746883996913,2.1320845872024,3.7441324752894665,5.20971115695067,6.15617487380526,6.647863718098185,6.876480869320509,6.962045470779301,3.1853408229885183,0.7118400090002053,0.0231929627169494,9.619609181307151,4.9913833514686585,5.720683219456188,1.6652691701148874,2.33106733057184,5.129634876424523,0.4662134661143678,6.060775059486784,0.1631747131400286,20.97960597514656,-2.33106733057184,-5.129634876424523,-0.4662134661143678,-6.060775059486784,-0.1631747131400286,-20.97960597514656,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.968624947393913,10.757135216427825,11.513413366904324,12.235551897279208,12.92234999407156,13.573189485667577,14.187974029565948,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_112,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2158523358344395,0.9065580789256824,2.1708477540301114,4.022884105291139,5.837688621129111,7.045266162179869,7.679536395826621,7.975703649970416,8.086732542071326,3.358774997491174,0.7112959662963788,0.0230413097596144,11.55120146731161,5.689032723857825,6.816710375086934,1.6982600592213497,2.2168897421008045,4.87838115575941,0.4433779484201608,5.763913329462092,0.1551822819470561,19.95200767890724,-2.2168897421008045,-4.87838115575941,-0.4433779484201608,-5.763913329462092,-0.1551822819470561,-19.95200767890724,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,9.846713161961148,10.66909509891242,11.449746870651913,12.188877727577555,12.887212000493452,13.545690572815102,14.165402135943996,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_113,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1014545172138345,0.7112237916254629,2.2231183384940225,4.673445279949092,7.085927036472573,8.66993105804233,9.4938232381872,9.87660296795177,10.019786580416218,3.787002921144407,0.5146220966412747,0.0035907179436505,17.510266371231694,6.933305095833567,10.63478838340533,1.7715002558707205,1.2316589264490037,2.7103295139152084,0.2463317852898007,3.2023132087674098,0.0862161248514301,11.084930338041032,-1.2316589264490037,-2.7103295139152084,-0.2463317852898007,-3.2023132087674098,-0.0862161248514301,-11.084930338041032,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.833653708444321,8.640923428568637,9.43845769501272,10.221184465406644,10.983957103823943,11.722107972994406,12.43179927883235,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_114,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0970765004380246,0.7114650249887029,2.368527354802741,4.978603483746388,7.415288936601533,8.974205188622614,9.77684205543716,10.148256591845868,10.286972814166177,4.054010646799198,0.5070438384666839,0.0035511473728091,20.033728647368545,8.091326105695586,11.962072480159962,2.020965973989985,1.2538989806029115,2.7592699095636983,0.2507797961205823,3.2601373495675707,0.0877729286422037,11.285090825426204,-1.2538989806029115,-2.7592699095636983,-0.2507797961205823,-3.2601373495675707,-0.0877729286422037,-11.285090825426204,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,7.21744224352096,8.082592382612628,8.932679598393147,9.760862869486717,10.561974846475904,11.332132713137614,12.0685527679334,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_115,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4229332193537412,1.382933820837407,2.767594282765512,4.787400618633093,6.838613460190659,8.219466701476234,8.94670515113384,9.286490083424589,9.413889436604617,4.051540983022604,1.1403632020226295,0.0565131039258869,15.881079811636486,9.220733085384497,7.879664240127309,2.204278461825849,3.672112148750664,8.08067373315757,0.7344224297501326,9.547491586751724,0.2570478504125462,33.04900933875597,-3.672112148750664,-8.08067373315757,-0.7344224297501326,-9.547491586751724,-0.2570478504125462,-33.04900933875597,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,13.148993171477136,13.781015052040583,14.37840146844769,14.94193101264799,15.471751984872371,15.968128869881204,16.431729754699248,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_116,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0819875344339938,0.8428728109479607,2.9667748701362515,5.787558686090686,8.104074780567899,9.502795247932522,10.206527535334956,10.529167354681112,10.64922773394515,4.84294575143076,0.5712392467702316,0.0017035194218614,22.20158601877323,12.131281443833164,11.851194709214957,2.902562214679576,1.0256837659719065,2.2570704625770106,0.2051367531943813,2.666777791526957,0.0717978636180333,9.23115389374716,-1.0256837659719065,-2.2570704625770106,-0.2051367531943813,-2.666777791526957,-0.0717978636180333,-9.23115389374716,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,6.164235304298474,7.014263777253502,7.891298623062706,8.77703765765483,9.65537741685784,10.513337610591991,11.3412336792492,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_117,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0823925971167913,0.8441406535212992,2.967273464494934,5.7857012481350525,8.100850720392007,9.49961860493404,10.203711170409836,10.526598676529654,10.646764880282657,4.841905597998276,0.5723880482137617,0.0017224087291487,22.18762324527276,12.12021150064496,11.86681175339799,2.905903790199071,1.0224089410676531,2.2498640400843075,0.2044817882135307,2.658263246775899,0.0715686258747356,9.20168046960888,-1.0224089410676531,-2.2498640400843075,-0.2044817882135307,-2.658263246775899,-0.0715686258747356,-9.20168046960888,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,6.101422403914675,6.951031972547075,7.828782057644985,8.715981614319265,9.596253996596316,10.456429691197282,11.286693738563956,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_118,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0816913732000402,0.8412930516236281,2.9634557790368685,5.785228127024911,8.101353218420963,9.49787690309066,10.19981280770022,10.521467773950246,10.641135579585574,4.84014728325503,0.5700463681654192,0.0016912916555936,22.182556792297525,12.115143998998857,11.834412056447754,2.894927621844265,1.0258333983335135,2.2573997363696097,0.2051666796667026,2.6671668356671354,0.0718083378833458,9.232500585001622,-1.0258333983335135,-2.2573997363696097,-0.2051666796667026,-2.6671668356671354,-0.0718083378833458,-9.232500585001622,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,6.189866557632281,7.040492102672681,7.917866311726055,8.803720329037295,9.681973356116597,10.539667911382034,11.3671448876322,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_119,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.082196473466954,0.8432348892588886,2.965372009364886,5.785894166358315,8.104825589111428,9.505892595287673,10.21100914480338,10.534324384637516,10.654642329553806,4.8409470439946425,0.5716840728047217,0.00171392907679,22.20369914118796,12.114857361291405,11.877834391108264,2.901857851490215,1.0226643625502163,2.250426108338605,0.2045328725100433,2.658927342630564,0.0715865053785151,9.203979262951949,-1.0226643625502163,-2.250426108338605,-0.2045328725100433,-2.658927342630564,-0.0715865053785151,-9.203979262951949,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1667,6.101173135578063,6.950936855669808,7.828868580531811,8.71624793225925,9.59668240546885,10.456995598378922,11.287371016974731,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_120,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0615061741307881,0.3354553992912776,1.062731934941144,2.2558824982345222,3.427860751269028,4.206520027171452,4.615444017374308,4.806401258382342,4.87799216025855,1.826231893877345,0.2476237682536309,0.0038987361197127,4.748172261884886,1.2076140561388422,3.210778416964144,0.2571145442441471,14.555916930478746,35.05011508790484,1.177152707766325,7.915032779300332,1.0759606587321455,41.74838017532361,9.314240359575194,23.95891014626365,0.5588587315103253,-7.915032779300332,-1.0759606587321455,20.10809100636361,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,15.193511819744684,15.978187737686296,16.683276272050545,17.318176393604684,17.890942291442638,18.40851940181261,18.876939959353365,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_121,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0624701012230956,0.3373996793065046,1.0700483840169226,2.2883213788852954,3.474072293605593,4.249824554049017,4.65329336504716,4.840811972125047,4.910971102018987,1.8494880498000623,0.2494710363643029,0.0040216838612543,5.1266591386569145,1.353853426706963,3.4069413245338724,0.2230124079791165,6.481722760681617,14.831100633962365,0.6387677408867478,7.430401193867804,0.8588832950119819,24.36686678139708,-0.2957635129808403,0.4611079974910366,-0.1888797955994186,-7.430401193867804,-0.8588832950119819,-4.600796995618745,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,14.851382190058857,15.705146750878784,16.462698084837466,17.13772934694375,17.741466698718757,18.28318112791526,18.770608076695904,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_122,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0689442984835939,0.3469135890128392,1.060783637119529,2.2342250211014623,3.3707823540871766,4.114828515593733,4.502316910123939,4.682551615005588,4.750010149072512,1.812790234527513,0.2598916955215653,0.0049021251635245,5.260136424933483,1.3314394547227577,3.3908013083010244,0.1191945209847322,4.776442534788609,10.252033981066518,0.5430689217837178,8.56568824612311,0.9968018974958286,22.809122000973595,-3.950988170965953,-8.211441755695573,-0.4830358771420699,-8.56568824612311,-0.9968018974958286,-13.104545961428975,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,14.403654383650116,15.256893506055436,16.01268342245841,16.686118965752204,17.28936627931855,17.83223730351317,18.32269572095074,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_123,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0583703602585764,0.3266478217246201,1.0830321944583066,2.3834531052424888,3.648158093933458,4.471502734392277,4.898553972504899,5.096786802754248,5.170916589185245,1.9139928663301016,0.2398755564290805,0.0035171672140222,5.1971200846468255,1.4102310792363684,3.34794291745617,0.2605181868195114,14.655525159799703,35.463141940446945,1.145873260579647,6.940523112667068,1.0150495041503604,40.65432440922713,10.43932206310136,26.57341923633222,0.6792065374495216,-6.940523112667068,-1.0150495041503604,24.320989099672754,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,15.105095515472474,15.917079558060632,16.640570678759186,17.288676588654035,17.871434973684533,18.39686263053761,18.87159123714516,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_124,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650285242020292,0.3416154845458852,1.0703779835351093,2.272013747267785,3.449999192693249,4.230819822344668,4.640427772321986,4.831618157362522,4.903283811204595,1.839317500735369,0.2537459193027755,0.0043604027703076,4.8275333421974365,1.2321069373572302,3.2534609168723034,0.248757567497605,14.04077971841626,33.751660371406395,1.1453416895466544,7.941464500714017,1.0647210721251097,40.7110206329895,8.646049480885127,22.33207885316331,0.504609524947992,-7.941464500714017,-1.0647210721251097,18.28539487203632,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,14.68425158910963,15.500865271161766,16.230892086460873,16.886303446384485,17.476859011986374,18.010591404481293,18.49419346595604,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_125,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0658949262419516,0.3423776057484672,1.063183920085261,2.249677858267437,3.3979750524405223,4.14822434690138,4.538400115445214,4.719756125806413,4.787613398797708,1.8234902950975265,0.2549776660864097,0.0044774838577548,5.057646614933612,1.3297792386616374,3.35888363939764,0.2104218885366661,5.451359996205691,12.26509011125484,0.561391398769561,7.2219572043326865,0.8320806470311174,21.99955188062012,-1.4073229958915798,-2.2678924179292443,-0.2672796169285347,-7.2219572043326865,-0.8320806470311174,-7.003933668813239,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,14.347050449606154,15.227400474711612,16.005980873741358,16.698709245905025,17.31824679267644,17.874744752786288,18.37644286648842,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_126,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0646732118776658,0.3382549322711994,1.0512737372760397,2.22839321288339,3.376866555774376,4.132956129584231,4.527881048217791,4.711824078862332,4.780709607048385,1.8046978942495089,0.2517961136563337,0.004315709070104,5.22732125005923,1.3161033243132554,3.3689485122446188,0.1170815241099372,4.640374381727032,10.102072668274294,0.4986560633026099,7.515771166213583,0.9084203008129824,21.04942871624856,-2.98464884912195,-6.008980672811806,-0.3782396609313312,-7.515771166213583,-0.9084203008129824,-9.64192163193939,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,14.541986779083048,15.41969230621162,16.196232246136088,16.88673649134948,17.503521568887496,18.056637290917884,18.554348302616063,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_127,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0532829341261247,0.318856109809343,1.0939431365014212,2.4125529689711644,3.684026787742479,4.509554326218981,4.9374229688452775,5.1359911631980975,5.210240889807672,1.938477201745495,0.2310942835476054,0.0029294198228054,5.235226291803845,1.4616851313760306,3.3455444084301043,0.2761393836928137,15.717596315056015,38.079240326872494,1.22590393047051,7.254981192663337,1.0615423628132947,43.28273753527444,11.440283715717548,29.05731049552959,0.7492146172221126,-7.254981192663337,-1.0615423628132947,26.59861157158053,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,15.185736546670585,16.037521860186093,16.794443428519312,17.469461257293048,18.07296268091157,18.61359261590211,19.09873254929936,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_128,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0604225538894987,0.330990683931963,1.0446721515956838,2.2338551788059675,3.4174956659142293,4.206561710985617,4.62105105604855,4.814570193209954,4.887111912064531,1.8029357118995069,0.2444964368095966,0.0037643956124618,4.722367305638296,1.1663396431138886,3.195868805889849,0.2516441348789894,15.971452701421896,38.61870372929841,1.2668139182947706,7.866162338200547,1.1037787179650425,44.6100791223815,11.141766056061169,28.40744069022308,0.7050565367949069,-7.866162338200547,-1.1037787179650425,24.94857076988627,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,15.34827676144777,16.123359622696395,16.818881346913685,17.444814738106974,18.009388432443107,18.519542822304164,18.98123679431829,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_129,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0625103624819629,0.3387869195606587,1.076541420690745,2.2897335335574667,3.462108063240376,4.227984754511672,4.626360344284616,4.811553224252449,4.8808508040348935,1.8543000506554348,0.2501773763256262,0.0040259039914616,5.166754432297609,1.3819702759758834,3.395234929291138,0.2015063422497238,5.8761869503271225,13.33415590325408,0.5907323932380534,7.241570909678493,0.8388178644112327,22.88704351275605,-0.8808859973428473,-0.9853541586699772,-0.2274377784755607,-7.241570909678493,-0.8388178644112327,-5.748912497220441,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,15.018379481402071,15.843933318717571,16.57860228167138,17.23501228106387,17.8235412126042,18.35278676166655,18.8299494598123,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_130,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0693846345163984,0.3460849820640166,1.0497322030247864,2.202789273363462,3.3183811445246643,4.048772065934279,4.429235409335447,4.6062262461516665,4.672474686370117,1.7889534914345262,0.259870409311972,0.0049668085264247,5.184702437861358,1.2921901304520769,3.344493512667504,0.1091842407009451,4.834551519014255,10.291590488469652,0.562344074999199,9.099390082766202,1.050450358128696,23.720734525036743,-4.486841465141538,-9.43202215409179,-0.5370560710811833,-9.099390082766202,-1.050450358128696,-14.758270587776636,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,14.619335028067525,15.449444337738472,16.184633412443716,16.83991003399937,17.427236745244418,17.956180988396728,18.434459964622505,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_131,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0576533771643853,0.326840498586076,1.0959605433686346,2.4227242840611747,3.712520156151378,4.550951690490343,4.985377812867926,5.186927981504948,5.262281083932128,1.9436187660298885,0.2392551980910713,0.0034299462449479,5.299052385259764,1.4697086398007797,3.383752873896471,0.2696854240750325,15.486746864392554,37.56630628312914,1.1975908225863372,6.87562576429821,1.0274168885059023,42.27921785774304,11.555188877314942,29.28362055954292,0.7690954131742082,-6.87562576429821,-1.0274168885059023,27.28187852831853,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,15.308424683482452,16.09273419520726,16.794987601967453,17.426419388814136,17.995775767970304,18.51018210194415,18.975652475134165,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_132,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0648408589904124,0.3404541756055479,1.0576983134306863,2.235039698324492,3.3913861245754164,4.158573409889424,4.561077914066029,4.748945782562364,4.819363708842824,1.810887862983452,0.2531104196231382,0.0043351179256594,4.722329048599047,1.1731767969256406,3.203391205896677,0.2427991491474308,14.481698167143817,34.88582142097222,1.170029061129673,7.813660029883724,1.0622249296379056,41.43494084165776,9.344109520595676,24.0135678870355,0.5627569525241084,-7.813660029883724,-1.0622249296379056,20.180417040463,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,15.261654440159782,16.010867339457224,16.684221984896553,17.29166966782347,17.841344532895178,18.339983996690595,18.793252251257776,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_133,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.065998604519409,0.3438929644202567,1.0699082475412354,2.2572938729379377,3.401576937013505,4.148111790096482,4.536178213785899,4.716525399315431,4.784001348795937,1.831641007593004,0.255833439548478,0.0044897854638729,5.064062569193452,1.3310088294777278,3.3678100114884923,0.2094080893154087,4.936284735653314,11.06129304068872,0.5051120524377485,6.652622830133126,0.7871629800675621,20.18937177991291,-1.4808601984581868,-2.5191945855992546,-0.2538084497326483,-6.652622830133126,-0.7871629800675621,-6.372845796050981,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,14.706590823897312,15.544526153584425,16.28769906736481,16.950583734181613,17.544730966859476,18.07943992587587,18.562292863571493,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_134,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0652201927668513,0.3387406248769448,1.054315355338499,2.250639947031172,3.42278769980742,4.193626364527476,4.595676238028974,4.782782892704271,4.852826908105701,1.818792102368014,0.2524653559893101,0.0043904923918696,5.337275999932913,1.3465419213751308,3.4375281072473025,0.119696012380273,4.381138929869578,9.575083336917178,0.4392698325052154,6.61025477136363,0.8703565596146596,19.422436229721985,-2.4709401455419595,-4.852912179979162,-0.300346284554116,-6.61025477136363,-0.8703565596146596,-6.464127867354622,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,15.356720133129446,16.138414681099036,16.833143316732464,17.453668409614945,18.01034868525792,18.511623028349817,18.96443149177452,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1667_135,RSM1667.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0531813671231137,0.3190777266874016,1.0987823336974556,2.425039139878065,3.7018823371767553,4.529850938663016,4.958678780593686,5.157623819329944,5.23200354603542,1.9484452767658085,0.2310487782186379,0.002918697922514,5.297198422071403,1.4899538282754978,3.372620916481065,0.2769308877678806,15.108096628746392,36.59239693687422,1.1757368912967403,6.977637157753077,1.0302836295279771,41.65266276541419,10.959457508421124,27.8487770856408,0.7200852277699882,-6.977637157753077,-1.0302836295279771,25.704854541977884,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1667,14.799531514116678,15.684658687077734,16.47237139387969,17.175366277875394,17.80407088002363,18.367309903609545,18.87269883775849,[Eu].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-]dmd.cat0,"linker [O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)C(=O)[O-], nodes [Eu], topology dmd"
RSM1885_0,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0051897610239966,0.227330016672547,1.4576324002973042,3.850447858766621,6.26526845294828,7.861044607415812,8.694088194425378,9.081856287405133,9.227028668570874,2.9711359484622544,0.1246203989530855,7.604585307868496e-06,12.616017287799783,4.528794963603323,7.283623851529582,0.6389760725871084,23.739385508841945,53.07368432961173,2.217743656137186,5.309025677078662,1.4339259000372335,62.545128385393326,-23.739385508841945,-53.07368432961173,-2.217743656137186,0.5186652420605703,1.4339259000372335,-62.545128385393326,-22.0,-49.3806,-2.0,4.0,1.79,-51.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM1885,20.445143559445366,20.948121623836155,21.352001897649497,21.68047239611735,21.950723053671982,22.175421988226944,22.364041185124456,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_1,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0051329020900027,0.226367348526097,1.4552131735372809,3.848093043470232,6.264983764845227,7.862813724562425,8.697079268970052,9.085444415944208,9.230844481460204,2.968469294420406,0.1239609222014983,7.467918096426962e-06,12.618897875652364,4.521835580749089,7.285074958297597,0.6354571773631809,23.75986917242009,53.11759967748929,2.2207147575274138,5.330137432963705,1.4303673527747305,62.650687164818514,-23.75986917242009,-53.11759967748929,-2.2207147575274138,0.474412767360603,1.4303673527747305,-62.650687164818514,-22.0,-49.3806,-2.0,4.0,1.79,-51.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM1885,20.34423833838472,20.86160518745521,21.277182681348307,21.61524432316973,21.89342943473731,22.124749874287307,22.31894129202074,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_2,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.005216250937279,0.2281720838749538,1.4593414239560514,3.8524605622194894,6.269019325044864,7.866861072429631,8.701249287490567,9.089701544137656,9.23513926256507,2.9729271787000826,0.1251737267884523,7.544887079543294e-06,12.646939289988708,4.530382360520846,7.311375363939099,0.6408468840571818,23.75113698194675,53.098854944589576,2.2194255301030927,5.320820439496546,1.4318490341821235,62.604102197482725,-23.75113698194675,-53.098854944589576,-2.2194255301030927,0.4934587772285035,1.4318490341821235,-62.604102197482725,-22.0,-49.3806,-2.0,4.0,1.79,-51.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM1885,20.349862567526944,20.86528268812527,21.27959270330617,21.6168112002459,21.894425416684747,22.12535381044477,22.319273121513103,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_3,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0052477634872728,0.2284820446945588,1.45860211948852,3.848383616705049,6.261790377277009,7.857701486867361,8.691119038001734,9.079126820698429,9.224399245353288,2.9700747491814616,0.125425993067769,7.68718005430556e-06,12.613018318922018,4.519570366319548,7.295955043731199,0.6411899357221021,23.74138921951009,53.07799419189293,2.2180477806315064,5.311279709331002,1.433598849981116,62.55639854665501,-23.74138921951009,-53.07799419189293,-2.2180477806315064,0.5142285354378643,1.433598849981116,-62.55639854665501,-22.0,-49.3806,-2.0,4.0,1.79,-51.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM1885,20.53049852061173,21.02107708636424,21.414862050760384,21.735065035637263,21.998495209295484,22.217522727772547,22.401388157494743,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_4,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422812858494302,0.4865138912600069,1.4109879862524584,3.4742890715093377,5.83995097781049,7.481992510691032,8.354088118351623,8.76264455966389,8.915971188139402,2.671848747500696,0.3860063901050568,0.0205810390070339,12.72078128572687,3.37176452429817,8.188358246769933,0.4526976845634631,5.029947883950668,10.931530990300663,0.818527487439874,10.894671326195995,0.5972270588296056,32.57030155554058,5.029947883950668,10.931530990300663,0.818527487439874,10.894671326195995,0.579325961139105,32.57030155554058,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,3.596449002417273,4.315090205294578,5.038689351699873,5.752851781522248,6.447152371129407,7.1146359590759705,7.751196879491842,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_5,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406169465719452,0.5038227802046843,1.6183854716570027,4.061423565096179,6.773942367189315,8.631635911345198,9.613394681390796,10.072451272307749,10.24460373740893,3.1239903322451257,0.3922387029274702,0.0200773203008209,15.863259198236864,4.74608032780641,9.592066276827952,0.7413103446185413,5.058953687727072,11.032580873084113,0.7495320059962169,8.976646548170386,0.5153834039206913,28.45920157337808,5.058953687727072,11.032580873084113,0.7495320059962169,8.976646548170386,0.4609448442473802,28.45920157337808,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,3.193534241359776,3.854987274992188,4.53867162618955,5.22764260826903,5.908639994324908,6.5720802600618695,7.211622612253612,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_6,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1439002063437298,0.5487543323928911,1.721954885192141,4.111927468959449,6.788161429119966,8.659360168985945,9.660801432110674,10.131911257666346,10.309040426528064,3.198745972088634,0.4215974916209153,0.0205144671682169,16.02874845883138,4.95165179687667,9.850572059094976,0.8179875060313493,1.817464173289081,3.9830443205197854,0.3461740288565984,4.569573194718397,0.1585348810533647,15.15556028315959,1.817464173289081,3.9830443205197854,0.3461740288565984,4.569573194718397,0.1580822255684642,15.15556028315959,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,3.257775630769787,3.924371458208683,4.61385479822366,5.308507540752737,5.994491613524551,6.661853650634027,7.304061268710848,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_7,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419943467586313,0.5062946040027696,1.658026599817704,4.214584125823036,7.099536699193775,9.100312292059598,10.164643683401604,10.663802747394875,10.85122786849628,3.2290091614176166,0.3935911008704791,0.0204947665231539,17.869158551289914,5.137209039650028,10.897939832133671,0.5644477928431672,2.539642946148066,5.58861636443202,0.5079285892296133,6.603071659984972,0.1777750062303644,22.8567865153326,2.539642946148066,5.58861636443202,0.5079285892296133,6.603071659984972,0.1777750062303644,22.8567865153326,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.2821610520924254,3.9740905386939938,4.681736010382958,5.388376945202936,6.081418265008426,6.752096177662438,7.394891262745448,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_8,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415478162281181,0.506384939151984,1.5953471350374715,3.7900058606881295,6.12882625997522,7.715638241463409,8.553280363831394,8.94500597426787,9.091933735762227,2.9653263171413333,0.3938662074668313,0.0203505336336748,14.677335268944548,4.283437946503132,8.951569992001517,0.4740290926180331,1.5671103752737006,3.448507870529293,0.3134220750547401,4.074486975711621,0.1096977262691589,14.103993377463306,1.5671103752737006,3.448507870529293,0.3134220750547401,4.074486975711621,0.1096977262691589,14.103993377463306,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.222387350600028,3.8935952196606127,4.586039795567995,5.282386721376871,5.9692036607088985,6.636880868214149,7.279145220015208,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_9,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415517898722789,0.5141362787193637,1.6279132734236448,3.84978117439426,6.261318279652285,7.9269644911425425,8.814835690074197,9.231935016010114,9.388677275654947,3.0119340024678616,0.397904261799458,0.0203243426666887,14.423371548758483,4.251292954068028,8.923431257067042,0.6972365751870556,1.457085131314605,3.205913164139419,0.2909492373924162,3.784679030453935,0.1029783158200822,13.081020960896112,1.457085131314605,3.205913164139419,0.2909492373924162,3.784679030453935,0.1029783158200822,13.081020960896112,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.319089595336146,3.973665609885257,4.650477894874917,5.332715249406748,6.007171275094373,6.66427168125245,7.297663836233569,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_10,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1435178449301727,0.5545935476788635,1.8243072265008824,4.452756346533207,7.315683371176559,9.275436352131264,10.313210427614372,10.799094320597586,10.981418776313888,3.455769404025444,0.4242561937998094,0.0202525759549292,18.586789990341977,5.87697354920877,11.131308866136584,0.7888476269520996,2.193229143256406,4.82268536334066,0.4350971815488225,5.674006595646985,0.1609781989431114,19.490656992135545,2.193229143256406,4.82268536334066,0.4350971815488225,5.674006595646985,0.1609781989431114,19.490656992135545,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,2.7044033962113327,3.3807792368513154,4.088192803508833,4.8061337710191125,5.518551555915042,6.213860274738946,6.884389171842935,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_11,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1441939962751555,0.5600013627176692,1.843844002552404,4.370560875362422,7.040876351343908,8.841659210206734,9.788529073735427,10.230445503992954,10.396052652292944,3.42445075687069,0.4262158337966476,0.0206211816073143,17.281758553784126,5.708584203889863,10.498215811171004,0.9317453055121624,2.810725919719038,6.147393048574147,0.5255252719008372,7.014928094925737,0.2654131494609021,22.73313943446341,2.810725919719038,6.147393048574147,0.5255252719008372,7.014928094925737,0.2654131494609021,22.73313943446341,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.279773499639848,3.945714094096023,4.63160096443944,5.32112442487094,6.001413564903831,6.663128235888878,7.300092683584473,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_12,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404024427155079,0.4947176805991042,1.4677522227602553,3.2848257008550616,5.124947181966132,6.339181860468636,6.971642670948838,7.265644633359888,7.37564382358958,2.615899723873293,0.387744654703102,0.0200413523225618,12.162925582147594,3.2223039502846103,7.663560596754147,0.336876658185788,3.8148711175205854,8.241750299249457,0.6145062472936977,8.730921095870169,0.5454184336209776,23.941081722955904,3.8148711175205854,8.241750299249457,0.6145062472936977,8.730921095870169,0.5454184336209776,23.941081722955904,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.2723922737372173,3.913626420045109,4.579706995169429,5.254374140462272,5.924261385406256,6.579326475907458,7.212670835133951,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_13,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415016899742812,0.4929049766687764,1.4832564400010029,3.4984877854853207,5.660623257989786,7.121594367438833,7.889392855358877,8.247552394889766,8.381737225662185,2.7375049778689733,0.3873544032080225,0.020379693735079,14.022755468529253,3.6908983108012015,8.76370309787815,0.3552406650258323,3.814755684142853,8.281900352423326,0.6536125408232656,9.04365601072898,0.4737142573680964,26.679099436914328,3.814755684142853,8.281900352423326,0.6536125408232656,9.04365601072898,0.4737142573680964,26.679099436914328,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.292428330298574,3.976807280515738,4.679556008696071,5.38357000164031,6.075719498081453,6.746731207267119,7.390668368701119,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_14,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1484396363942682,0.5960505142773236,1.9905336264056497,4.685105669259702,7.508598208633488,9.409683621207062,10.40962807857846,10.876504507029656,11.05150319578384,3.680485249366119,0.4495943964983113,0.0215071026333361,19.240314449181028,6.736232275482706,11.59594773800617,1.5290212285634877,2.826312976871012,6.204937032449484,0.5510738889035024,7.234904088099031,0.2276381919694402,24.44360733889011,2.826312976871012,6.204937032449484,0.5510738889035024,7.234904088099031,0.2276381919694402,24.44360733889011,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.823861882915018,4.502097712495051,5.193286867345289,5.882095371733544,6.556567075279187,7.208226672713647,7.831696763520048,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_15,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2043762052055459,0.5666806330016277,1.4973583958591037,3.5601983137578905,5.949084269076684,7.628249145658076,8.526627102065309,8.948966390721258,9.107699688142482,2.7572768796982743,0.4651195564721773,0.0422030076890426,11.36287709576552,3.878143716160907,6.539282158492254,0.7030804962416264,8.46738152379851,18.468003569730143,1.0505444799899626,10.7970908097608,0.8248332644691988,34.961701466088,8.46738152379851,18.468003569730143,1.0505444799899626,10.7970908097608,0.6657353785322188,34.961701466088,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,4.939094796271729,5.920366448989418,6.852775010753022,7.720337234331629,8.51636886161213,9.24015168533187,9.894496993134371,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_16,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422211354209408,0.4878904951313126,1.4178319976936615,3.482142342250228,5.844378995016016,7.483320497575558,8.353676533045222,8.761405378674446,8.914419864976052,2.6801536385225657,0.3866808541316713,0.0205583893262104,12.711568708956646,3.391531336001062,8.1862372174254,0.4674376275428937,5.016720566184628,10.901811476451492,0.8171325933568533,10.893500177779002,0.597719246424411,32.52442416874163,5.016720566184628,10.901811476451492,0.8171325933568533,10.893500177779002,0.5804261690723517,32.52442416874163,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,3.5868741066649004,4.305653479903103,5.029492364817691,5.7439631897900885,6.438615418687675,7.106474901562409,7.743422104938667,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_17,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405740072482308,0.5026323290615907,1.6117693798724857,4.045114375108759,6.748890807041062,8.601329010948811,9.580481645417114,10.038353586484044,10.210066924768936,3.111129774189459,0.3915610793551476,0.0200713898812522,15.767448770803972,4.698520732725085,9.54027878163167,0.725543835174698,5.075532388851987,11.070274187614642,0.7503009396573026,8.952533475285385,0.513728744611587,28.45913162226198,5.075532388851987,11.070274187614642,0.7503009396573026,8.952533475285385,0.4580633380899792,28.45913162226198,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,3.1881287844917985,3.850138263477813,4.534478762683318,5.224136585074489,5.905804323118349,6.569869361453364,7.209975375260015,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_18,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438577844078451,0.5475216992715797,1.7167070251091998,4.093726949013149,6.75241838895879,8.611077466548691,9.605870851189747,10.073879157485983,10.24984705606603,3.1860412865003727,0.4207790967581686,0.0205271060430655,15.877421234346595,4.898612123337061,9.766222957091252,0.8205129911702194,1.792114897734992,3.928204911840761,0.3402365037028759,4.474289231640349,0.1547525594124302,14.880567915494426,1.792114897734992,3.928204911840761,0.3402365037028759,4.474289231640349,0.1537123340483965,14.880567915494426,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,3.2766030317613817,3.94300773842654,4.631977525703476,5.3258954903088025,6.0110093200902845,6.677432083744463,7.318679593353524,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_19,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419782820596607,0.5068559485652698,1.658234721060088,4.204679660754559,7.076137630070464,9.067860853541434,10.127559195507382,10.624591861998356,10.811226279275084,3.2235307137351064,0.3938836142137896,0.0204883411241586,17.76199527989554,5.11613721735687,10.82863377426556,0.559964586963306,2.519837090872892,5.545032549994523,0.5039674181745782,6.551576436269516,0.1763885963611022,22.678533817856025,2.519837090872892,5.545032549994523,0.5039674181745782,6.551576436269516,0.1763885963611022,22.678533817856025,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.2742899504837983,3.9651141071971496,4.671996575510035,5.378168354454893,6.070979041970777,6.741611756141021,7.384500514665115,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_20,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415633672929657,0.5055406609486646,1.591568233152005,3.784600200588738,6.122619795770109,7.7086047487500995,8.545668973466963,8.937089014876946,9.083896324093624,2.960265391897104,0.3934220268964205,0.0203587232905487,14.653606098778551,4.269450533311233,8.94048754858284,0.469915607448869,1.5676800138651072,3.449761389870889,0.3135360027730214,4.07596803604928,0.1097376009705573,14.109120124785964,1.5676800138651072,3.449761389870889,0.3135360027730214,4.07596803604928,0.1097376009705573,14.109120124785964,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.2273515713256384,3.8995880419824247,4.592715692074631,5.289458080630556,5.976445202257247,6.644123425538911,7.286265847979268,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_21,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413037022213177,0.510555756312977,1.610231489238923,3.828082398658504,6.248519338897725,7.922094928453431,8.814218007057558,9.233281750846466,9.390754643313212,2.9893446341308576,0.3959180660272452,0.0202641575118367,14.376627611127123,4.183917906814532,8.898480678777407,0.6581630794450474,1.4909916984050418,3.280427835072876,0.2976342495369509,3.872065694700649,0.1055540081908734,13.379438975561357,1.4909916984050418,3.280427835072876,0.2976342495369509,3.872065694700649,0.1055540081908734,13.379438975561357,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.319649996816482,3.9740137329380048,4.650648292880645,5.332741389194333,6.007085947403091,6.664106780051919,7.297449967191204,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_22,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434672428231701,0.5553420217895556,1.826193451796356,4.449891520727254,7.304425353918749,9.2575771462221,10.29167159384258,10.77579704597305,10.95745630816313,3.455237475901606,0.4246560246006569,0.0202296509790934,18.509420012796863,5.8809663602876245,11.090369544376156,0.8029256207200766,2.171935763712599,4.775968322202476,0.4309755346631925,5.61974004101814,0.1591999014264691,19.30860860786048,2.171935763712599,4.775968322202476,0.4309755346631925,5.61974004101814,0.1591999014264691,19.30860860786048,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,2.7223017805161955,3.399300807137965,4.106993283961802,4.824925845678922,5.537108065503012,6.232009885118102,6.902008648864644,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_23,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1440302188407612,0.5608961217659179,1.845881894489928,4.371784950933732,7.040095481212085,8.838595815327437,9.783942846186054,10.225072687659193,10.3903727283245,3.4260763085232693,0.4266910460761416,0.020561772200929,17.25066613915762,5.708759498175872,10.480038293935367,0.932324997398032,2.8231344367155344,6.173413012825337,0.5267600207192071,7.037214602469192,0.2686197854898994,22.757529266766827,2.8231344367155344,6.173413012825337,0.5267600207192071,7.037214602469192,0.2686197854898994,22.757529266766827,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.3329328738306,3.996270480069711,4.67924049867924,5.365802325001815,6.043227394046825,6.702242291335932,7.336695813790654,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_24,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405197312636612,0.4950767359126924,1.4660992366862895,3.2804409691433407,5.121141663233325,6.336802429213557,6.97020611809674,7.26468103291849,7.374862053273444,2.612047871067351,0.3880547720424726,0.0200744878039551,12.194699487554123,3.2254441462547576,7.678279257256642,0.3245877535457915,3.7326352849923854,8.066315299326543,0.6034220024073265,8.560011304250997,0.5296064473078745,23.57636374355092,3.7326352849923854,8.066315299326543,0.6034220024073265,8.560011304250997,0.5296064473078745,23.57636374355092,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.251511416172044,3.890890225557319,4.555929596537419,5.23026118224024,5.900367064514426,6.55605235989798,7.190285458889489,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_25,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413614904752068,0.4936941700213194,1.486366560812929,3.499525521532639,5.656922241428816,7.114084785459118,7.879741470813582,8.236872678806833,8.370667678956515,2.7397763232050067,0.3876932086490445,0.0203354528632706,13.98930329604069,3.694548872788462,8.742449181213495,0.3621832056808912,3.790395235811783,8.227936193883172,0.6483934398217677,8.977542754385924,0.472660951669541,26.435564608464816,3.790395235811783,8.227936193883172,0.6483934398217677,8.977542754385924,0.472660951669541,26.435564608464816,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.323235017827076,4.004528979660553,4.704231974520904,5.4054362929855015,6.095090773269916,6.763933646963716,7.406006271098579,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_26,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1481966497796905,0.5944742168319911,1.9853509819992563,4.679093190864141,7.50201482798086,9.401043155987422,10.399251938056745,10.86516048377427,11.03977057797222,3.674393972488879,0.4485337145980201,0.0214458948990264,19.221382011457973,6.717068088829034,11.588726495154226,1.5060962910950977,2.80753967056201,6.164162861644468,0.5478447330778446,7.190297535184768,0.2252204991119109,24.31143296263908,2.80753967056201,6.164162861644468,0.5478447330778446,7.190297535184768,0.2252204991119109,24.31143296263908,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.812729844258557,4.493265931138325,5.1866989365524905,5.877584567155275,6.553907296352211,7.207169222727457,7.831994522348168,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_27,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2044187592159331,0.5675652311139816,1.5004274249439455,3.5678759485596934,5.962852336719133,7.646443544906942,8.547199069934868,8.970655522396413,9.129808450130366,2.7630512096370734,0.4656882592397738,0.0422031409571656,11.418281631007265,3.896671752066109,6.572765235035461,0.7078805916379535,8.48217214080547,18.500987335249903,1.0523561703954158,10.806649097805126,0.8248909831468868,35.0267779512769,8.48217214080547,18.500987335249903,1.0523561703954158,10.806649097805126,0.6652764677473618,35.0267779512769,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,4.942022374407891,5.922025521534035,6.853493123043637,7.720363359030819,8.515889522776199,9.239305644325002,9.893387171194115,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_28,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422548426655341,0.4877606521696396,1.4185737955168347,3.488300083250208,5.856172879896528,7.498363431492521,8.370247019206152,8.778648033654573,8.931907909307087,2.684162119665657,0.3866294735787366,0.0205685886266373,12.75974516201103,3.40343380994046,8.211786660370004,0.4668383830469526,4.993949510358235,10.851764977611332,0.8150333347199448,10.884045262081733,0.5963346903337922,32.472691689960605,4.993949510358235,10.851764977611332,0.8150333347199448,10.884045262081733,0.5798302136995143,32.472691689960605,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,3.583662961578129,4.302224979528365,5.025916892079205,5.740306625414775,6.434934290098458,7.1028151375213815,7.739819527433347,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_29,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405628117254869,0.5017864469950419,1.6092295025332528,4.042243739801695,6.74634006965276,8.599187281526785,9.578612447420907,10.036624805406614,10.20839290628932,3.10825554305148,0.3910670227740909,0.0200727772110011,15.765835279968558,4.686568766602901,9.544169313022794,0.7175050435401388,5.0699315610332585,11.058540112799644,0.7493964439891019,8.935224707615623,0.5122674767706167,28.4265894297516,5.0699315610332585,11.058540112799644,0.7493964439891019,8.935224707615623,0.4564849471072002,28.4265894297516,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,3.1979008757075063,3.860206772510569,4.544628308417439,5.234200479978528,5.915660255996583,6.579432171132255,7.219189379839291,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_30,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.143632661784298,0.5466271982067381,1.7132632153850214,4.090110694440432,6.754254227582202,8.61849980502077,9.616640932638688,10.086288874218717,10.262882599619331,3.181714826373204,0.4201397492454783,0.0204702333517519,15.893945944165388,4.889084778502331,9.77705125577229,0.8098899738298991,1.8154110587071208,3.979286710843352,0.345058357066634,4.540439953210931,0.1567790260206817,15.098967487146895,1.8154110587071208,3.979286710843352,0.345058357066634,4.540439953210931,0.1558508889199153,15.098967487146895,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,3.2725715557864485,3.939198919937294,4.628414948002322,5.322589346119219,6.007960266325551,6.674634573819295,7.316124454366668,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_31,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420495225015323,0.5074079204894623,1.664010028609876,4.22276693493168,7.103312768407172,9.098782936579369,10.159777125978586,10.657268754056204,10.844052249280317,3.2373238493619554,0.3941949242188965,0.0205072317212374,17.876342344504266,5.160607631181579,10.894510543015413,0.5730586226714222,2.517165010703402,5.539152498633392,0.5034330021406804,6.544629027828845,0.1762015507492379,22.65448509633061,2.517165010703402,5.539152498633392,0.5034330021406804,6.544629027828845,0.1762015507492379,22.65448509633061,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.282490252208996,3.974001661420241,4.68126358316364,5.38756922830926,6.080327567088058,6.750772652163021,7.393379507206412,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_32,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416292626567328,0.5068860301604874,1.596697009753952,3.790209373034296,6.126885907471353,7.712129346713238,8.548932511916261,8.940264623936212,9.087044672217957,2.9661477965739684,0.394188003671961,0.0203724165950931,14.68526598337285,4.286848987065284,8.95703220247226,0.4731079027013764,1.5674213094376113,3.4491920973255543,0.3134842618875222,4.07529540453779,0.1097194916606326,14.106791784938505,1.5674213094376113,3.4491920973255543,0.3134842618875222,4.07529540453779,0.1097194916606326,14.106791784938505,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.219051341545023,3.890966904469885,4.58397491001281,5.280756140242052,5.967899976292119,6.63581832772602,7.278256883641114,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_33,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413593334813172,0.511812672711456,1.6163286681491598,3.832707848777028,6.245927290973093,7.914119904797146,8.803503646718568,9.221328572855104,9.378344731918505,2.9956070718233847,0.3965890010069119,0.0202763596594067,14.370741186261416,4.200584995157082,8.896470072934695,0.6723512721288559,1.473142343653309,3.24119065108808,0.294104709957443,3.825980023312854,0.1042198574794911,13.221617978754464,1.473142343653309,3.24119065108808,0.294104709957443,3.825980023312854,0.1042198574794911,13.221617978754464,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.317719925747304,3.972314371638863,4.64914908994542,5.331417622964948,6.0059156604373465,6.6630694699707975,7.296526159970456,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_34,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434923392753034,0.5551921828462443,1.825608149650625,4.448981992577219,7.303254551786426,9.25631413274309,10.290392302912649,10.774517919997264,10.956178515430476,3.454441430068988,0.4245884687704684,0.0202376355272641,18.5204506979188,5.871901232179284,11.09350053856953,0.7955828612040278,2.1763851694500898,4.785690724075274,0.4317981988471338,5.63077076022716,0.1596525154515629,19.34394807204892,2.1763851694500898,4.785690724075274,0.4317981988471338,5.63077076022716,0.1596525154515629,19.34394807204892,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,2.70932557767471,3.3859039332959355,4.093399708690999,4.811328818931417,5.523664418771668,6.218840510957064,6.889202246501599,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_35,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1441268595587692,0.5608233384729752,1.8461953445927648,4.37184147951054,7.038773149071386,8.83628829376546,9.78116129087304,10.222084650638111,10.38730997115628,3.4264370958710115,0.426675237344205,0.0205916969569162,17.26334952595855,5.711697967024139,10.485861802048085,0.9307166227372984,2.824385845287786,6.177068716738359,0.5278850895613633,7.047466561778691,0.2670671582255087,22.83002704285649,2.824385845287786,6.177068716738359,0.5278850895613633,7.047466561778691,0.2670671582255087,22.83002704285649,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.29574073761974,3.9619175959038273,4.6478937617252125,5.337404546640991,6.017598776578714,6.679146022598382,7.315877738453491,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_36,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405106640290711,0.4949713000657781,1.4665541789474337,3.280697805228313,5.119245984649731,6.332928905804309,6.965202885577454,7.259136381490451,7.369112622874698,2.6126679163710054,0.3879788308988819,0.0200716083743012,12.165289307864604,3.218997861999436,7.6616208386169555,0.3295971327133521,3.7528845145732745,8.10923584541827,0.6058822065538269,8.599942167003888,0.5340044716966815,23.64733188590151,3.7528845145732745,8.10923584541827,0.6058822065538269,8.599942167003888,0.5340044716966815,23.64733188590151,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.2704290711526607,3.913071489952494,4.580566140855492,5.25657715201178,5.927683212858195,6.583809941473322,7.218045928827536,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_37,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414359031576118,0.4930735061987112,1.4834662849251512,3.496458582918145,5.655623822281781,7.114459436987098,7.881099175120042,8.238709651852178,8.372687375683967,2.736434657393381,0.387409986349346,0.0203598679534056,13.997243376611,3.686586261954786,8.747619369902523,0.3559360330111699,3.815880891479246,8.283385087726366,0.6528759832761865,9.038888757688738,0.475598099533177,26.621914371936825,3.815880891479246,8.283385087726366,0.6528759832761865,9.038888757688738,0.475598099533177,26.621914371936825,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.294397861333464,3.978022855119424,4.6803176437617084,5.384121515406837,6.076236725878469,6.747328132622049,7.391409952810987,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_38,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1483568185949061,0.5959392400717122,1.989863718684068,4.6826614062852014,7.502659635086527,9.400196324984591,10.397894542253084,10.863635899142784,11.038195283841103,3.67882329405902,0.4494886710522334,0.0214803509379982,19.22243030597465,6.728038878682818,11.589430823089874,1.523889848027003,2.8209976917313586,6.1934065546611405,0.5501732194897606,7.222383447649443,0.2269251080198683,24.407136905626448,2.8209976917313586,6.1934065546611405,0.5501732194897606,7.222383447649443,0.2269251080198683,24.407136905626448,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.8253567423817074,4.504629803536158,5.196799615713007,5.88648189448027,6.561693892180712,7.21395208665733,7.837883312350195,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_39,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2042083612140408,0.5733477975233023,1.5152511200469023,3.582561575507456,5.971622853908919,7.649970317877187,8.54772574852118,8.96973708356559,9.128341838625056,2.778836836627648,0.4693721105548377,0.0419600262407353,11.442160097406427,3.943861197949392,6.588461055942524,0.7465668870853599,8.493764239109337,18.52657690068209,1.0529262940074204,10.79982095347139,0.8252765494905793,35.02295258926154,8.493764239109337,18.52657690068209,1.0529262940074204,10.79982095347139,0.6650601446937449,35.02295258926154,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,4.76903436782734,5.740838327144411,6.669261667862022,7.53703747755503,8.336307756496765,9.065388316448267,9.726343222848438,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_40,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.142208326822317,0.4867354424617139,1.4121792462246872,3.4750325599091587,5.839132798719495,7.479858604323882,8.351204701821006,8.75939956703939,8.912588870500292,2.6729506134310075,0.3860770728845983,0.0205588954769551,12.714490626157309,3.371808508951594,8.191291083832368,0.4578038316032238,5.003685196456334,10.873692011726622,0.81572872229867,10.877465391722202,0.5958642577181434,32.486234320558815,5.003685196456334,10.873692011726622,0.81572872229867,10.877465391722202,0.5787867686363377,32.486234320558815,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,3.596117307146028,4.3143342033970375,5.03749813880539,5.751252091994715,6.445192909580934,7.112375464891152,7.748696019636425,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_41,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406072491671688,0.503549197268803,1.6170142248775456,4.05766955064068,6.767744044558817,8.623967652465943,9.60502125239871,10.063765164707332,10.23580316222897,3.121144693538942,0.3920773711070333,0.0200761812237146,15.840075235344369,4.733558078165252,9.582319420035596,0.7371764151631784,5.08228857000059,11.084242127405815,0.751875469207233,8.98569682170867,0.5160648233216807,28.52701816237704,5.08228857000059,11.084242127405815,0.751875469207233,8.98569682170867,0.4607611316039482,28.52701816237704,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,3.1976324249301795,3.859191272302425,4.54289322076798,5.231812252152336,5.912706540368418,6.576008421329567,7.215389808588277,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_42,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438387466863605,0.547523412847712,1.7191400197843147,4.105374628826757,6.774789634464942,8.640448733538369,9.63879806278054,10.108434354751871,10.28500708096229,3.193970553479179,0.4207422218819368,0.0205224184808575,15.970739346951142,4.929261834644057,9.817555957294664,0.8174960099322217,1.8203275450190328,3.989045064814566,0.3457810666283651,4.560807892960863,0.15918040932693,15.1189886725145,1.8203275450190328,3.989045064814566,0.3457810666283651,4.560807892960863,0.1585055282889871,15.1189886725145,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,3.264343834170444,3.93063478902868,4.619719856182766,5.313923873634561,5.999442261866272,6.66634521144119,7.308115414540864,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_43,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419477096575938,0.5066181224941159,1.6571545022619696,4.204781303785544,7.080850076284475,9.076988440498893,10.139327773439,10.637658199204994,10.824788949216869,3.222748604307152,0.3937387035832107,0.0204804339982821,17.784910999610865,5.119071343185862,10.84382055909395,0.5585517634229877,2.533311281244487,5.57468320656512,0.5066622562488975,6.586609331235668,0.1773317896871139,22.799801531200387,2.533311281244487,5.57468320656512,0.5066622562488975,6.586609331235668,0.1773317896871139,22.799801531200387,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.274862079714008,3.9662677990339295,4.673627146704293,5.380170638627957,6.073256957356397,6.744082724243698,7.387096584493932,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_44,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141540825573611,0.5050383178201237,1.589706646824004,3.781745519173452,6.1190911221598405,7.704757118070808,8.541704919447795,8.933083671756176,9.079877708586109,2.9577093272117367,0.3931336641141427,0.0203540774129085,14.64123123120577,4.26245113702001,8.930237044088392,0.467922933483436,1.558828168835665,3.43028244458766,0.3117656337671329,4.052953238972729,0.1091179718184964,14.029453519520985,1.558828168835665,3.43028244458766,0.3117656337671329,4.052953238972729,0.1091179718184964,14.029453519520985,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.226363137023596,3.898087507426644,4.590861137550732,5.287383687573477,5.974256439824856,6.6418989248297535,7.284061839635918,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_45,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141417475837786,0.5122142720833549,1.6177464489315752,3.834847870107009,6.247414501340602,7.914395210407805,8.802908438240351,9.22027445695659,9.377110205179523,2.997634273208168,0.3968508336479833,0.0202911561526728,14.375928584248244,4.207200062627962,8.897053986896847,0.6755442217942788,1.4667013780698217,3.227032137262124,0.2928313452176069,3.809352139810677,0.1037378502972379,13.164687274883375,1.4667013780698217,3.227032137262124,0.2928313452176069,3.809352139810677,0.1037378502972379,13.164687274883375,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.3200179789326296,3.974514534702944,4.651263360423198,5.333451063435344,6.007869343514795,6.6649424821258405,7.298316874992177,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_46,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434492512260372,0.5546981094198674,1.8242864136123027,4.450292076418419,7.309959085054565,9.26740843652951,10.303956762291936,10.789266519777089,10.97137556007955,3.454354281201117,0.4242808098464709,0.020230776426693,18.55258046421008,5.873759731332839,11.113336598380018,0.792452875821461,2.185177432044048,4.805018305227126,0.4335368521131121,5.653472248948946,0.1603095522640478,19.42169248769761,2.185177432044048,4.805018305227126,0.4335368521131121,5.653472248948946,0.1603095522640478,19.42169248769761,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,2.710421283138347,3.387070156488901,4.094632296002436,4.812614282237464,5.524985834150633,6.220180991141569,6.890546703610936,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_47,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1443740359555212,0.56256694914621,1.8530965046070893,4.388231486498286,7.064127335107965,8.867203616180745,9.81487866136882,10.257084911485572,10.42278719324611,3.4393956676116924,0.4278763540419948,0.020637412400112,17.362143533095352,5.762855533474715,10.540618957435212,0.9495686271327498,2.8076641795614674,6.140951806260432,0.5252002887964414,7.009266489932999,0.264660018411525,22.72569931794357,2.8076641795614674,6.140951806260432,0.5252002887964414,7.009266489932999,0.264660018411525,22.72569931794357,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.299932381975754,3.9656626264266857,4.651167350188962,5.340226196894593,6.020009782663532,6.681195388329768,7.317614250359286,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_48,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140477078241808,0.4950904232287422,1.4681954113721805,3.285432863927853,5.127146199530887,6.342951216432237,6.976340732112822,7.270794990763983,7.380966416360372,2.616263951665963,0.3880032861923679,0.0200619724671614,12.190294452424812,3.2284527505228486,7.676339810921252,0.3319145573942405,3.802219079565388,8.2147215289132,0.6127640930562955,8.704331824015751,0.5430548159260428,23.88239111611375,3.802219079565388,8.2147215289132,0.6127640930562955,8.704331824015751,0.5430548159260428,23.88239111611375,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.24940400272271,3.887958030844189,4.552286067985177,5.226050478533318,5.895736028810426,6.551135467124327,7.1851982445937335,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_49,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141427046703423,0.4931480093788489,1.4840809742064738,3.4974617174298475,5.656564738870997,7.1152744029065165,7.881839468017337,8.239414492458362,8.373378912718806,2.7373749430139784,0.3874393379377995,0.0203570108582862,14.009199417195791,3.689891125156014,8.755040343441518,0.3565885860298062,3.806924735155482,8.264470316230197,0.651854709135295,9.021762408237842,0.4735243004413264,26.595205963693235,3.806924735155482,8.264470316230197,0.651854709135295,9.021762408237842,0.4735243004413264,26.595205963693235,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.280761543593593,3.961805711024847,4.662128925845222,5.364557741923374,6.055825405689188,6.726506468579766,7.370523759265314,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_50,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1483376764667507,0.5956907640399498,1.990047593943878,4.685998213651753,7.510664972301472,9.41178223723003,10.411462602247315,10.878148804889484,11.053065263567596,3.6807786599778174,0.4493056407662645,0.0214804881791012,19.25733174971547,6.739626119895587,11.605707145395115,1.522669639545215,2.8263477603311515,6.205203933309804,0.5512669675083347,7.236483500397827,0.2272497707947615,24.456948923927666,2.8263477603311515,6.205203933309804,0.5512669675083347,7.236483500397827,0.2272497707947615,24.456948923927666,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1885,3.8218137635683633,4.501139108034044,5.193440047535163,5.883307430660869,6.558736433341345,7.211226210508487,7.835391111037582,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_51,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2043209401774283,0.5738819379062439,1.5126080916557367,3.5703607316937176,5.951526928253027,7.625922355158963,8.521965388310024,8.94325353144942,9.101598987688462,2.7700725367801984,0.469848102373677,0.0419863807514069,11.373724871918872,3.910942737811456,6.556981997029225,0.7396716915005814,8.472377599371754,18.47879385959112,1.0513993927746603,10.809598871155574,0.8255636649860844,34.99614856000435,8.472377599371754,18.47879385959112,1.0513993927746603,10.809598871155574,0.6664833969514461,34.99614856000435,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1885,4.735525656736949,5.703279559054414,6.62950079610424,7.496447650773806,8.29586067659931,9.025742069154772,9.68792222198852,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_52,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2364387494287603,0.9569589242866458,2.2471039538694138,4.447760475278696,6.902572917842086,8.625217891831335,9.54797558523989,9.982125531868832,10.14535850170554,3.612966058506317,0.7577306805574371,0.0253099123065576,15.610725756266216,6.942644259887121,8.948280636059145,1.8462470527352688,2.262965669152573,4.861697834703889,0.3372626244033631,4.961066664379477,0.3973190486532369,18.060080833830128,-1.109660574881059,-2.559941591856808,-0.3372626244033631,-3.807761570107965,0.1612352115708829,-18.060080833830128,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,8.608574377429848,9.431035850877722,10.225120058040956,10.989336035083507,11.721857640293004,12.420990121493174,13.085471316464124,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_53,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.115363068010694,0.768494004030074,2.379251153139074,5.097174794492804,7.884539834164956,9.759476542979376,10.746443087991503,11.207493693409011,11.380348588062033,4.098525611153118,0.5596143150179754,0.0046326105106617,20.944612222163173,8.74619976562405,11.988333170354275,2.0677949117427388,0.9006437389480684,1.920443332399587,0.1201074651051036,1.8615034597888973,0.1868348039551132,6.905367996842414,-0.3004309121029681,-0.7225838931200731,-0.1201074651051036,-1.2612906329437974,0.1027595783815407,-6.905367996842414,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.387069808988167,8.17318558883166,8.94233015767666,9.69381528093409,10.425941149743196,11.136423567165128,11.822853376538497,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_54,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174104013673903,0.902575759777327,2.330361566787634,4.898520323076839,7.650159813052388,9.534061476143329,10.532802021131566,11.000715264856533,11.17634749089623,3.935823401403228,0.70822241440265,0.0232606843612673,19.319233499350563,8.414709226753924,11.023102318311324,1.955751051409356,1.7631634316995382,3.862259831363959,0.3354079832482487,4.446427297685528,0.1580593006578516,15.523976823462666,-1.5909164007829488,-3.518567252165042,-0.3354079832482487,-4.274180266768937,-0.0767262876159223,-15.523976823462666,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.11248679447369,9.963561618770228,10.77669238064671,11.549545207738028,12.28112612830232,12.9713869542042,13.620948422202924,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_55,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1042032568618088,0.745020921186961,2.459667888609243,5.3830244894917465,8.32830636477776,10.286164937197531,11.310870211394098,11.78831618039247,11.967126360218897,4.31492465395981,0.5342512689967843,0.003807117698249,23.34904844569889,9.708826620806905,13.404950081384069,2.123526946596016,0.6957169388322069,1.5213015869263609,0.1296986360605385,1.7333060273165155,0.0685341643006502,6.072557415371806,-0.6012694217731791,-1.3327843428765418,-0.1296986360605385,-1.638858510257488,-0.0222548809417266,-6.072557415371806,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.354922196196382,8.169773581501213,8.967484557817773,9.745746977805824,10.501980829220225,11.233489860811558,11.937755515072212,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_56,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2209932584067759,0.9313537230922696,2.4107624241538423,4.947256558561723,7.60380576285154,9.41022480101747,10.36604380517942,10.81358102854178,10.98153136782958,4.007090188842135,0.7270609751438395,0.0238385993466477,19.20756285659695,8.560896729167336,10.911698830626491,2.1072564237868256,1.9566056752348704,4.304159208848303,0.3899001535839306,5.075806903906315,0.1399464583388321,17.58103144785297,-1.942395860604436,-4.275796418845954,-0.3899001535839306,-5.06159708927588,-0.132983649169919,-17.58103144785297,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.459348362660691,10.255880535275145,11.016019305560304,11.740155248102232,12.428649917614214,13.081859085307055,13.700221002033212,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_57,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2193956681188942,0.9429643022531458,2.4514192908091936,4.958388030319762,7.575367766150538,9.36305791296992,10.311947242745012,10.756921043942723,10.924018227851404,4.033209092960637,0.7322335579226875,0.0236791675439531,18.988510145144684,8.810489079932267,10.571310352256685,2.169271937205714,1.7734841517842668,3.902644097177171,0.3546968303568533,4.611058794639093,0.1241438906248985,15.9613573660584,-1.7734841517842668,-3.902644097177171,-0.3546968303568533,-4.611058794639093,-0.1241438906248985,-15.9613573660584,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.600650861158464,10.408239261940102,11.1770350934509,11.907571826669932,12.600372405694037,13.255993955802792,13.875107459849112,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_58,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177883154994216,0.9400009964867538,2.430203991623113,4.83177642526926,7.283112939298513,8.936694353195108,9.809006515126416,10.216931565752766,10.369938573893982,3.953382733378112,0.7293001781353242,0.023440344863098,17.93680807773735,8.432243350145235,9.979904595966463,2.135647350907101,1.8785069867731512,4.133752306757632,0.3757013973546302,4.884118165610193,0.1314954890741204,16.906562880958358,-1.8785069867731512,-4.133752306757632,-0.3757013973546302,-4.884118165610193,-0.1314954890741204,-16.906562880958358,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.900868655653117,10.667235603196838,11.40070086780988,12.101327944773775,12.768963349915747,13.403454204746131,14.004811064182778,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_59,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2201495229525193,0.926661774493717,2.3518708657865988,4.746454925139086,7.260078142627671,8.973667063535999,9.881110091752316,10.3060925532296,10.465588929347996,3.8592591305744186,0.7244983468128023,0.0236284401137727,18.054038031512555,7.8952883026692975,10.400137171019898,1.9986487010011624,2.0766066251439166,4.567372054873909,0.4130638967955835,5.381117799508585,0.1501030630497936,18.644311061631253,-2.0540323428119183,-4.5223137873392405,-0.4130638967955835,-5.358543517176587,-0.1390416647071145,-18.644311061631253,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.601443435369626,10.380863299158204,11.127082250403747,11.83968725004517,12.518458241586698,13.16333816180533,13.774472441849705,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_60,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1028265655510181,0.7397297498204417,2.4657635564338483,5.4256654032447615,8.376922818491733,10.318831529180487,11.329460436607,11.79910421654624,11.97479675431516,4.3465151366044585,0.5298808834009214,0.0037051942676801,23.754574387929395,9.809436629442995,13.608070112082569,2.1465425272794167,0.7126591627940596,1.554252284287973,0.1288519255260566,1.743474567002513,0.0786139461643702,6.140334324491432,-0.5758600924665068,-1.2812013399141773,-0.1288519255260566,-1.60667549667496,-0.0115824017038693,-6.140334324491432,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.464771541105836,8.274728813668393,9.06778300365289,9.841868551781369,10.594421853835444,11.322666364929008,12.023978113209866,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_61,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170562576362165,0.9266979182090204,2.484069219125886,5.24091153947754,8.165135615629902,10.16106932284412,11.21792402079432,11.71280221133918,11.898514937872935,4.212869820100492,0.7198646318681157,0.0233344128106861,21.91724980748599,9.595549988767202,12.366369203932814,2.1372414016023966,1.761302525267338,3.8720557930119495,0.3485626662935021,4.549803855615355,0.131056638164641,15.777765952206732,-1.7243241376676834,-3.798246931363038,-0.3485626662935021,-4.5128254680157,-0.1129372282408102,-15.777765952206732,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.068259774428869,9.970855727791257,10.82288920936208,11.62472481682988,12.377574412596354,13.08313112948046,13.74337059097125,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_62,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1140657245094486,0.7679399847734975,2.4552083191774425,5.390990512408406,8.396704846200574,10.40057340128516,11.449072395614888,11.937384723233862,12.12022010075672,4.309451695749129,0.5569295359003574,0.0045325717191132,23.7212166446952,9.593032946822069,13.623400861158505,2.2157608659821366,1.0035972239650763,2.157888058248145,0.1512652031892646,2.2137188494791937,0.1741057130454317,8.043290183610678,-0.5090548079275701,-1.170781395837282,-0.1512652031892646,-1.7191764334416872,0.0682200708129465,-8.043290183610678,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.384820639348814,8.189450482594644,8.97420368721118,9.738456012750584,10.480665488381051,11.19879599816895,11.89074351129696,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_63,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2215998897859002,0.9387363797533586,2.4399544753175606,4.893688298760786,7.361742161337726,9.00951522163466,9.874940049701312,10.278925236584543,10.430348917723537,3.9996047701096833,0.7311191137106998,0.0239477495881629,17.875492948600492,8.199041701580851,10.199198479515305,2.1261670020778105,2.193967057527359,4.822922208566788,0.433927903111608,5.665390282420224,0.1627005222654095,19.64839334986896,-2.145311973588722,-4.725886941913768,-0.433927903111608,-5.616735198481587,-0.1410490099127159,-19.64839334986896,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.187908001931174,10.022136439835446,10.81505861011278,11.567485510145964,12.280243862461216,12.954164643217664,13.590148071935916,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_64,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.104812334367224,0.7469575007565534,2.357028103095458,4.75088461618128,6.964447385049125,8.386733187467238,9.12194997883289,9.462893402660503,9.590349447188771,3.909693053670417,0.5360669127839864,0.0039763108211689,16.74011788658326,7.4601219819597695,9.858528459094003,2.0027170680315765,1.239018232051904,2.683333904102717,0.2059125449898663,2.8863185919708347,0.1652770914070978,10.313342060056849,-0.8201072178467594,-1.847878722922687,-0.2059125449898663,-2.4674075777656905,0.0211383099141915,-10.313342060056849,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.732747558221829,8.480508817025875,9.22278759826379,9.955834976501716,10.675312388184588,11.376883811920976,12.056653239786437,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_65,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2180608948341139,0.9266216077275818,2.313290448571056,4.386678969737793,6.384330240540746,7.692601763152587,8.373729744405512,8.690456302892363,8.80898372564562,3.645952171059843,0.7227789784852126,0.0232574525700437,14.84896660372505,6.926626714035702,8.61027516028573,1.8846959759812627,2.612019992507585,5.74627192730702,0.5208386487517241,6.778729182521379,0.1857764302563926,23.476872937572413,-2.596366495009656,-5.715053374572023,-0.5208386487517241,-6.763075685023449,-0.1788106238698139,-23.476872937572413,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.29462748620684,10.112545014285448,10.893754039001134,11.638245348304368,12.34590080268317,13.01669541246443,13.650839714845864,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_66,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2162052979842627,0.9201911277928052,2.3399678902445933,4.536195518147677,6.695158068205752,8.12625138674683,8.875976105774841,9.225604067424008,9.35660202415618,3.745251589188601,0.7167401940889906,0.023346892057124,16.006611847438133,7.406412582791582,9.184458910939844,1.9603974561720807,2.165656711653544,4.752271036126033,0.4201642789495609,5.526970943250031,0.1759092136554003,19.23156913725894,-2.0359860778420646,-4.493662407584109,-0.4201642789495609,-5.397300309438552,-0.118205781609292,-19.23156913725894,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.399817471133336,10.231395621908783,11.025110417803685,11.780580942986196,12.497486272518058,13.175730199281356,13.815551717670363,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_67,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.111435117046065,0.757359728096084,2.3560802115512365,4.938564781678452,7.498649788901528,9.19595808696189,10.084323761833032,10.498352105105637,10.653434842359871,4.003673232164716,0.5493283464550004,0.0043517339268256,19.173800991214293,7.976606334753965,11.537626366527515,1.997799325046722,1.5632191691818398,3.395402246956513,0.2690922457561506,3.715957135231045,0.200883676811185,13.19794076103221,-1.1277032883796665,-2.526112548875375,-0.2690922457561506,-3.280441254428871,0.0125191047818798,-13.19794076103221,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.842955025274084,8.616531439749664,9.379378843839085,10.12829401185584,10.85951520439932,11.56927838385498,12.254232613100635,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_68,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2271655982907329,0.9474830017921136,2.41592152947429,4.904930943958729,7.541669306092107,9.346916660527755,10.30438959579298,10.753059965143123,10.92148254708267,3.9794786495192143,0.7406928781742723,0.025044890249143,18.75305011102954,8.163438571670556,11.035198327222046,2.0652532008620783,2.200135526329914,4.841512632736345,0.4400271052659827,5.720352368457776,0.1540094868430938,19.801219736969223,-2.200135526329914,-4.841512632736345,-0.4400271052659827,-5.720352368457776,-0.1540094868430938,-19.801219736969223,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.238631412673987,10.034267285234066,10.794756593689709,11.520621328101178,12.212117097669154,12.869403571055347,13.49270236651711,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_69,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1414847545425985,0.8753434407694751,2.2771931339001616,4.262000776703844,6.203851015211084,7.499262960204719,8.180364230258407,8.498503575237653,8.617782298175184,3.552473226745472,0.6555416825218658,0.0059544909034072,12.06294571578623,6.609012155696317,6.362475944850282,1.6789313756493986,1.842034498694745,3.782773511492567,0.1058302140820198,2.6886762113509035,0.6212737005153746,11.32677677511412,0.783732357874547,1.453924618906399,-0.1058302140820198,-0.0629093547816115,0.5471925506579605,-11.32677677511412,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,6.300128328163257,7.203995778362385,8.118446561551757,9.026122183481895,9.913601503516407,10.771018844270923,11.591563448360825,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_70,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2361805241302388,0.956141113332428,2.244964123611598,4.445409081111876,6.901224412226181,8.624748833052148,9.547986749445776,9.982361418279398,10.145678488978676,3.6104724140401454,0.757095857995759,0.0252690147085338,15.59685657323071,6.927740212505791,8.950651980565794,1.843855509694955,2.2575010321411746,4.84896522382081,0.3354831427686194,4.941366174290129,0.3982361214530227,17.99716801607826,-1.0973303955450189,-2.5335157840369,-0.3354831427686194,-3.781195537693975,0.1633979215149893,-17.99716801607826,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,8.608512996965755,9.432935696493264,10.228700573519706,10.994334081713232,11.728030653837743,12.428117338992127,13.09335450625785,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_71,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1152699202073853,0.7680032316298776,2.3770863844861685,5.092720081461367,7.877979361320426,9.75143875802793,10.73759936763658,11.198266834781776,11.370977017020904,4.094843423480513,0.559279324783713,0.0046247494681467,20.912574180563347,8.72894463142534,11.970274642623574,2.064287658586561,0.8966055197200371,1.91119185880558,0.1189458714623394,1.8481724914187527,0.1872093367981815,6.861945027846975,-0.2928531949033576,-0.7062738945763608,-0.1189458714623394,-1.2444201666020736,0.1039472267745439,-6.861945027846975,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.386509973400114,8.172365637192966,8.941410465101887,9.692907570464714,10.425117453485278,11.135725712978594,11.822301452997367,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_72,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172910267119992,0.9023289340141428,2.3295433919957755,4.892655839279303,7.636452757232459,9.514380626920852,10.509840582872297,10.97619677305592,11.151241679462377,3.932249104062504,0.7079749076025643,0.0232468746418773,19.25852000764197,8.400703261304512,10.98315786896434,1.9541142140195475,1.7554689457841015,3.8448725144330496,0.3334256282399959,4.422873971704069,0.1584069580187208,15.445857293720426,-1.5787873366158576,-3.4923318163147448,-0.3334256282399959,-4.246192362535826,-0.0749909817492761,-15.445857293720426,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.12167795609506,9.972959760020528,10.786243869987263,11.55918917621818,12.290802015011373,12.981038049849415,13.630523654993018,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_73,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1041127416911054,0.74478531872558,2.459112757555724,5.378285410250755,8.316052905903726,10.267910528074925,11.289268044263036,11.765115878424725,11.94332192647835,4.312211194001152,0.5340282803608616,0.0038006798501243,23.28234128377773,9.694859295430108,13.363811595613605,2.122946300662304,0.6941140813944391,1.5176211271265692,0.1292281871243194,1.7279395783889948,0.0687367069222041,6.055134149458583,-0.5981677898487557,-1.3261123292013854,-0.1292281871243194,-1.6319932868433116,-0.0217230240648193,-6.055134149458583,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.36919719379277,8.183794435240376,8.981314779418204,9.75940675495205,10.515463862959656,11.246774768960249,11.950813735086689,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_74,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2210124611699341,0.9311409706616306,2.407879722445434,4.936968893798367,7.584079581309921,9.383289810494864,10.335062078409251,10.780652620769748,10.947864131617491,3.999766988899082,0.7269802445848532,0.0238490764669675,19.116923253225668,8.525169057710507,10.86483252177224,2.1022485272461724,1.9596434948848995,4.310788470350618,0.3904533366189117,5.0832701878361926,0.140273305593886,17.60728420680273,-1.9448898713042173,-4.281340237683576,-0.3904533366189117,-5.068516564255511,-0.1330440300393518,-17.60728420680273,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.467235264467645,10.26182238780816,11.0205039514087,11.743545685100605,12.43121541143236,13.083799611943132,13.701685635280477,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_75,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2193008716052337,0.9428157993549336,2.451160624671227,4.953703291065121,7.562008114082968,9.34239851919501,10.287102555550222,10.730052797064785,10.896380914727253,4.030734444523605,0.7320614300057178,0.0236667176385057,18.926661142690044,8.795918543988362,10.533305232669726,2.1691787929518127,1.7682111500733495,3.891040582716209,0.3536422300146699,4.597348990190709,0.1237747805051343,15.913900350660146,-1.7682111500733495,-3.891040582716209,-0.3536422300146699,-4.597348990190709,-0.1237747805051343,-15.913900350660146,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.621411462866456,10.42707406858889,11.19416695239136,11.9232075087647,12.614696078283371,13.269165643803095,13.887264280425043,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_76,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178144356918079,0.9396130804963406,2.426722940658909,4.824094874681926,7.2719853618203345,8.923228629701265,9.794262827464085,10.201577585694222,10.3543535097182,3.947058047283861,0.7291437218558161,0.0234488904819498,17.898212981980393,8.406312531230544,9.96209424778257,2.1304754407229893,1.8747445855505995,4.125472947222543,0.3749489171101199,4.874335922431558,0.1312321209885418,16.872701269955396,-1.8747445855505995,-4.125472947222543,-0.3749489171101199,-4.874335922431558,-0.1312321209885418,-16.872701269955396,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.886238957957376,10.654102077560784,11.38901021010435,12.090975517649523,12.759822837051903,13.395394523536815,13.997705624405674,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_77,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2199221061795383,0.9261829101974314,2.348486253135788,4.73411374527742,7.241011127647652,8.952491279344175,9.85959902462779,10.28460055100469,10.444132215734438,3.850187542891755,0.7241116707631213,0.0235671691881441,17.968414927775328,7.867253112949939,10.342507282888995,1.9922661145518787,2.071146043055328,4.555327610357847,0.4119442571271963,5.366700100072899,0.149778621129998,18.59461535782057,-2.0482965282166363,-4.509719978739819,-0.4119442571271963,-5.343850585234208,-0.1385823588590392,-18.59461535782057,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.60697919507782,10.385282065245152,11.130652430458737,11.842610084183784,12.520883882495818,13.165378262388623,13.77620995453194,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_78,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1028782587749454,0.7398256868278972,2.4640505456360344,5.419215582229542,8.366027255172341,10.30542373229953,11.314899391412448,11.78404499920792,11.95955742893319,4.341812633644487,0.5300063268932689,0.0037094154930536,23.690763570812784,9.788877293799466,13.573658591154908,2.143185598570096,0.7076487103806243,1.54332149260208,0.1279426910344106,1.7311902386559097,0.0780682169142434,6.097097372591334,-0.5717781999634824,-1.2721239538094646,-0.1279426910344106,-1.5953197282387677,-0.0114916668098439,-6.097097372591334,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.472749755115626,8.282153222625833,9.074786634763152,9.848517376797885,10.600747438071824,11.328684239738529,12.029697527974893,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_79,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170632267409324,0.9250339397347324,2.4782832779665416,5.234657661800686,8.159160644261929,10.1545183199391,11.210781970075416,11.705317137908589,11.890890484703794,4.206430600830302,0.7189325237450328,0.0233220646698189,21.885207439992183,9.563545329778936,12.358538480475476,2.1318750232586665,1.7578446589872267,3.864083126608593,0.3475157292718612,4.537970493162117,0.1315608514328324,15.739537880373357,-1.7173126337313855,-3.783181204197934,-0.3475157292718612,-4.497438467906275,-0.1117001590574702,-15.739537880373357,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.080813046601474,9.98051152736761,10.830079143604392,11.629838913415584,12.380957352227403,13.08508289357952,13.74414925627508,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_80,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1142152212900296,0.768116088063857,2.453895669147838,5.386960756504055,8.389060904982093,10.39005195024192,11.436918634813658,11.924443911272114,12.10698041588876,4.3064958078426505,0.5571986775819344,0.0045447123909613,23.671796589162,9.581417945211388,13.591191102203878,2.2126334576780105,0.9963161885495936,2.142003904980156,0.1499440656998389,2.195868714148305,0.1733123944196391,7.980462256744744,-0.5031244684487955,-1.1575932316589628,-0.1499440656998389,-1.7026769940475068,0.068351548429752,-7.980462256744744,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.392692655083372,8.194529667055317,8.976767813071017,9.738817716854705,10.479144791343078,11.195701187302898,11.886359291649152,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_81,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2216152613867905,0.93903143774666,2.436843904332992,4.884425246783679,7.350607664021282,8.999000875288079,9.8652010679012,10.269638090088478,10.421244770953615,3.99208524670543,0.7314193400349599,0.0239062094966109,17.818199691242192,8.162167734673096,10.179429458583291,2.1204777896205003,2.191339469322432,4.817332836285626,0.4335893596012011,5.660054346132041,0.1621660145962297,19.628484538636183,-2.14455412668958,-4.724026488205798,-0.4335893596012011,-5.61326900349919,-0.1413465371246107,-19.628484538636183,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.171087968043174,10.003906399341924,10.79557592227025,11.547000471719748,12.259032636148495,12.93249349239277,13.568255958502508,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_82,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1046820471318788,0.7462320175590269,2.355255130099936,4.748074167822872,6.963591352353167,8.389061681920778,9.12649430746066,9.468589972858789,9.596496429385684,3.907005707709943,0.535519960062297,0.0039688776030834,16.721678123946404,7.449922413938292,9.854988390461989,2.00065337425425,1.2356330149575288,2.675656663819007,0.2050144619726862,2.8757487107390185,0.1654545754573136,10.278454314241367,-0.8145116047693333,-1.835793179410179,-0.2050144619726862,-2.4546273005508232,0.0219444520764334,-10.278454314241367,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.776153182609162,8.52072910139834,9.26014839632156,9.990668196527253,10.707914103577156,11.407503714117832,12.085497099958204,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_83,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179273170540079,0.9263463203927408,2.315325252624364,4.391562640018172,6.387951926377864,7.69402416911598,8.373755931293344,8.68979277073334,8.808056670590998,3.650338313836927,0.7224523105477386,0.0232687869556439,14.86162745082583,6.951312718623536,8.607428093791116,1.8902727170097573,2.5744926983243026,5.663460585864586,0.5131095459418554,6.679369065859146,0.1835688521133356,23.13465441045862,-2.556602761094251,-5.627781789549831,-0.5131095459418554,-6.661479128629095,-0.1756078300459627,-23.13465441045862,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.284356340684845,10.10429142195004,10.887349721415116,11.633511333618513,12.342658456725456,13.014770395152311,13.650064566118449,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_84,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2162880563536195,0.9208490490446268,2.33803654628049,4.527908819245098,6.6821145095652685,8.110441236537921,8.858738778679617,9.207697078648836,9.338442873034802,3.7390714446386495,0.71728616830946,0.0233209336225541,15.97160533960251,7.381370754248876,9.173269145197477,1.9559775014521272,2.1570575535626246,4.732670581584377,0.4177872665025117,5.49935568558272,0.1765394866431585,19.14103309786336,-2.020815111462492,-4.460955467181976,-0.4177872665025117,-5.363113243482585,-0.1159115999085992,-19.14103309786336,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.372781598169038,10.20244993784967,10.994653577075692,11.749017102458216,12.465199665702778,13.143068565317222,13.782817746758292,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_85,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1113404263579234,0.7567794269092283,2.3539777901088,4.931368989749218,7.485118892869703,9.178315000573573,10.064622594396871,10.477717414801589,10.63245482943511,3.998614800583358,0.5489164015546864,0.0043436882137541,19.121004845696767,7.956877452791713,11.511747505730415,1.995495091280476,1.5560624835517467,3.37953906988345,0.2675489388655833,3.696453994476413,0.2006178453226308,13.131291195070398,-1.1194269051040866,-2.508014455301921,-0.2675489388655833,-3.2598184160287533,0.0133335881167226,-13.131291195070398,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.851536192123163,8.62392272642682,9.385833714118238,10.134031626158412,10.86471054539019,11.574064248649114,12.258706204193803,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_86,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2266660973459425,0.9463240476848233,2.4140452240824004,4.901116153705683,7.533311086811299,9.334344817010017,10.28931430729408,10.736757612817314,10.904711375600836,3.976662139034723,0.7396804013978393,0.0249582212370902,18.721698208824897,8.152466655729025,11.014865396593242,2.063722097436881,2.18983810784881,4.818852627902915,0.437967621569762,5.693579080406906,0.1532886675494165,19.70854297063929,-2.18983810784881,-4.818852627902915,-0.437967621569762,-5.693579080406906,-0.1532886675494165,-19.70854297063929,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.215566897188475,10.017015268691704,10.782358542555809,11.51225398661636,12.207078941547794,12.867098743770628,13.492626019512253,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_87,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1411668808387435,0.8741571080163815,2.275205097996746,4.263082341936276,6.210031713440015,7.508796671941701,8.191529021235151,8.510391483733633,8.629934571770447,3.552003276958144,0.654579088239568,0.0059351202540498,12.090213590893264,6.605666254490322,6.377186659801819,1.6733348400407688,1.8415669144592748,3.781429323624367,0.1054309344938573,2.685014390410134,0.621814274758395,11.316453262173525,0.7872575695207017,1.4613667860010988,-0.1054309344938573,-0.0561899064301573,0.5480126206126947,-11.316453262173525,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,6.311094096375533,7.21588285802531,8.130782132419325,9.038590343411244,9.92599325922355,10.783196871803906,11.60343848380517,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_88,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2362783299643948,0.9564967239002262,2.2464973356646456,4.449437613314411,6.907542993477211,8.632388973225922,9.55626000873222,9.990917137522525,10.154338042096548,3.613591193180775,0.7573565513460772,0.025285591231302,15.623621567613236,6.938882714776053,8.963989345776273,1.845652761022692,2.2573605678065825,4.848713654626956,0.3355107551721807,4.941446609184029,0.3981244921395644,17.99701794247653,-1.0977469839152247,-2.534374978529571,-0.3355107551721807,-3.7818330252926704,0.1632669635190382,-17.99701794247653,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,8.59772292298218,9.422449780702678,10.218294370066529,10.983891991034952,11.717508118138191,12.417514448076238,13.08269755557428,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_89,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1153642520669406,0.7684316511040555,2.378219245461839,5.094017727797234,7.878901611459801,9.752052751739807,10.738060367804064,11.198660725849086,11.371346592700233,4.096183600306811,0.559598456588374,0.004632614561825,20.91434499133388,8.733531764875856,11.971379169000498,2.0664588769717667,0.8971697813886204,1.912621928453416,0.1192413566784926,1.8511006348165613,0.186908748725614,6.870676040512955,-0.2952437853963057,-0.7113461307622869,-0.1192413566784926,-1.2491746388242466,0.1034397990506692,-6.870676040512955,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.387481469238113,8.173233841331438,8.942084443999622,9.693342556843806,10.425300360690658,11.135663905784686,11.822014434096904,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_90,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174020638401386,0.902579779466075,2.3292374063183243,4.8920235630260684,7.636444859601482,9.515101141062116,10.511013861742205,10.977595370624494,11.15272685944594,3.931596526855365,0.7082271663206126,0.0232567128832936,19.259031797389788,8.397722234756756,10.98440951895667,1.9533086051086264,1.758822372536865,3.852542367030773,0.3343790483439992,4.433854759288859,0.1580832145538027,15.481692829564308,-1.5849681109031266,-3.505642468884067,-0.3343790483439992,-4.26000049765512,-0.0759821192869964,-15.481692829564308,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.121899923195716,9.972628775820608,10.785413371314228,11.55792240469114,12.289164449574235,12.979093215180932,13.628330741628334,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_91,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1042057215208952,0.7449452038523771,2.458967705930046,5.37944093475189,8.320156040107635,10.274349526912022,11.296980896684534,11.773428533260246,11.951859888811205,4.312626398934124,0.5342066655449288,0.0038085382041503,23.3036193305602,9.696955465981324,13.377994231580828,2.122623831796054,0.6941207798902357,1.5177033965062643,0.1292955530577591,1.728485204352309,0.0685985207249214,6.0565149606063615,-0.5988347506873551,-1.3275124822173143,-0.1292955530577591,-1.633199175149428,-0.0219083664155098,-6.0565149606063615,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.368090289496271,8.182846185011055,8.980375918082968,9.75838556460174,10.514310235039968,11.245467581225451,11.949351137651984,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_92,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2208763641353277,0.93108094834846,2.4082401738154995,4.938453287037902,7.587734755122615,9.389132116539578,10.342289897297093,10.788581408368223,10.956064383636232,4.00075530982198,0.7268841761146758,0.0237973497652052,19.13172613121144,8.533491436611312,10.869670897390158,2.102960249190347,1.959724492860778,4.310978278969218,0.3904808471382386,5.083571269966686,0.1402552225114799,17.60823940706866,-1.9450839785216083,-4.281755812348234,-0.3904808471382386,-5.068930755627517,-0.1330813704852868,-17.60823940706866,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.46863541504719,10.263624858892674,11.022511473661073,11.745624513253972,12.433277471031255,13.085789193264793,13.70356960511874,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_93,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2194100683684362,0.9430940069859216,2.4530718374107274,4.960852755829738,7.576570465132632,9.36278436194109,10.3107612596567,10.755282428097072,10.922205925064482,4.0356937658609136,0.7322742059800397,0.0236894013578924,18.98904910442152,8.816495178141997,10.569935367259127,2.1721568116038936,1.770976567889331,3.897126028422004,0.3541953135778661,4.60453907651226,0.123968359752253,15.938789111003976,-1.770976567889331,-3.897126028422004,-0.3541953135778661,-4.60453907651226,-0.123968359752253,-15.938789111003976,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.612505854207372,10.418892970603569,11.186579615358566,11.916110446657903,12.608008803543356,13.26282687127516,13.881228156598077,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_94,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178645279640043,0.940048570515477,2.430404470929768,4.831685804855213,7.2811322962268,8.93272822128688,9.803815285607756,10.211131180723156,10.363904151349551,3.9535835876611416,0.7293657436262462,0.0234625770295921,17.94077919694428,8.430479162252169,9.982174124881796,2.1363117954446658,1.872752686465133,4.121089669706222,0.3745505372930265,4.8691569848093454,0.1310926880525591,16.854774178186197,-1.872752686465133,-4.121089669706222,-0.3745505372930265,-4.8691569848093454,-0.1310926880525591,-16.854774178186197,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.892326495266,10.66027258016385,11.395040086132154,12.096736551071425,12.765248060212269,13.400455869056929,14.002399250261144,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_95,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2200074090401762,0.9264680027536184,2.349984621705863,4.738722759080082,7.247889505004202,8.959970978807231,9.867082923793022,10.292013702898016,10.451507060759647,3.853671358423271,0.7243251263666167,0.0235826025049179,18.007274074598943,7.876157787482166,10.372241836566756,1.9948896835882897,2.072607496964089,4.55856704291909,0.4122594538100495,5.370683127444487,0.1498328205112996,18.60822656102144,-2.049987041136406,-4.513416613087033,-0.4122594538100495,-5.348062671616803,-0.1387487971557348,-18.60822656102144,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.59955822195374,10.379439903780767,11.126013767948024,11.838891341734012,12.51787095038385,13.162909645713734,13.774163850975643,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_96,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1028452037330661,0.7398135075502328,2.465237112231391,5.422687158487598,8.371183834302771,10.311335578760367,11.321090437452344,11.790339050422972,11.96588564427124,4.3445126650768815,0.529948556933158,0.0037074095388354,23.723136470234497,9.799261696352184,13.59235960560167,2.145453002647255,0.7099466942635271,1.5483682205473042,0.1283924076003208,1.7370859550660935,0.0782498242284544,6.117581623324052,-0.5739773817396814,-1.276973472749708,-0.1283924076003208,-1.601116642542248,-0.01162486109177,-6.117581623324052,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.455181736466947,8.265401297810945,9.058732362977992,9.83308700766201,10.585896327932248,11.314385769311023,12.015935379517014,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_97,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170472916984775,0.9262741339451298,2.4826244426424773,5.238308709068147,8.160441380665953,10.154450637222949,11.210156208351524,11.704469392314277,11.88996594466538,4.210764788427208,0.7196218574705825,0.023323696475648,21.890964925624004,9.58358201663417,12.354296035568554,2.1362128978140347,1.7610070026227918,3.871310016701631,0.3484102227957082,4.548288784988458,0.1312319634141805,15.773239469028123,-1.7230952253342908,-3.795638109233783,-0.3484102227957082,-4.510377007699957,-0.112655192542815,-15.773239469028123,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.056094234982416,9.958964802124743,10.811290615285518,11.613426829574614,12.366583577808662,13.07245447310444,13.73301547393751,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_98,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1140968790578416,0.7679123934522635,2.454251897579572,5.38777035949369,8.39093074601054,10.393069593667366,11.440666335604536,11.928560052464537,12.111239009606194,4.307110209665411,0.5569544490465589,0.0045351378513428,23.68573911613236,9.581343420276932,13.60399491662681,2.2138581510717947,1.0013684353820405,2.152998963089658,0.150834571226001,2.2080450051900486,0.1739179337625976,8.023533601430223,-0.5069772768779697,-1.166194210715532,-0.150834571226001,-1.713653846685978,0.068333733904397,-8.023533601430223,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.395579302387954,8.198768801202865,8.982164345046163,9.745189578350171,10.486319237649068,11.203516225929077,11.894666308329574,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_99,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2215790695578005,0.9389594394227496,2.439562959024676,4.8889823098953045,7.352348708246692,8.997384615164147,9.86152161337772,10.264940798393027,10.41615801815995,3.996643987827932,0.7312581251591664,0.0239247374400592,17.834177988486598,8.181506190013659,10.18015044238109,2.125216281043554,2.191686364340795,4.817834517384534,0.4334049297887212,5.658925802650565,0.1626661887778012,19.6265304174784,-2.142362933546418,-4.719466333179767,-0.4334049297887212,-5.609602371856187,-0.1407172620743033,-19.6265304174784,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.17134612559436,10.006681097399,10.800350915977264,11.553313808682852,12.266490834629677,12.9407716272511,13.577091356744718,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_100,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1046763598801417,0.7463638353154524,2.355237183905805,4.746319732763229,6.95810701125416,8.380049539007034,9.115339238114124,9.456372144758037,9.583870467291664,3.9061024831761726,0.5356026935226632,0.0039678262682982,16.71041216448931,7.443929965555679,9.8452491866267,1.9997525618045,1.2401571542143868,2.6857961950499813,0.2060976853207227,2.888938636780169,0.1654367736490471,10.322739477486389,-0.8208196989928398,-1.849490541228889,-0.2060976853207227,-2.4696011815586214,0.0211683939245414,-10.322739477486389,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.75890133840781,8.505365898234295,9.246418290165202,9.978337284161135,10.69677933554545,11.397393568632287,12.076268688946952,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_101,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2180130312306343,0.926549068384562,2.314136015721238,4.386810771217196,6.381257107748182,7.686751105819833,8.366323141588634,8.682309866038675,8.800558348720013,3.646727523439963,0.7226499838508257,0.0232746523908831,14.837477092115082,6.9321937224328805,8.598368566444787,1.886050016953375,2.601917143240458,5.724018104469718,0.5187967622507145,6.752291241246173,0.1851091995219142,23.38552096121657,-2.5860504792666856,-5.692374423173625,-0.5187967622507145,-6.736424577272403,-0.1780485340535854,-23.38552096121657,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.28705093960814,10.107214812772224,10.890401442461302,11.636592082427931,12.345682141416892,13.017670086925865,13.652793423737752,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_102,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161228179775125,0.9201453833734288,2.3390295044680087,4.531979765292423,6.687214321020213,8.115677460811941,8.863973474235069,9.212923024747775,9.343664794782017,3.74231347103832,0.7166742594100021,0.0233259055554836,15.980610427958087,7.3946138660770995,9.171850573615032,1.958347664861645,2.163162258074085,4.746398255228341,0.4192933199855378,5.517508817958387,0.1764322298700843,19.201677690081183,-2.0297709417812926,-4.480369283579812,-0.4192933199855378,-5.384117501665595,-0.1170730941197918,-19.201677690081183,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.400951611798725,10.232069044227735,11.025269963385368,11.78023083033432,12.49666540001161,13.17449532985307,13.813966252984471,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_103,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1113365867394031,0.7568854239013698,2.354432399119061,4.933581752394713,7.489700553743224,9.18441749414898,10.071474874423654,10.48490690489888,10.639768580685535,4.000045957819129,0.5489749505933701,0.0043445020609639,19.13859838414389,7.960344774696479,11.5224612969144,1.995413308993424,1.56183761784252,3.3923132877525712,0.2687682374544382,3.711983517478026,0.2008871340885144,13.184552838301366,-1.1258447567018626,-2.5220715369158184,-0.2687682374544382,-3.2759906563373686,0.0127493678704078,-13.184552838301366,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.833861878088283,8.608680244454073,9.372696859010013,10.12268348270747,10.854865359599168,11.56547503240436,12.25116487503042,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_104,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2270175375210214,0.9471869428106576,2.414921164389068,4.900983690363741,7.532565701037345,9.333494529168274,10.288492712815858,10.735967102524008,10.903935263908409,3.976886599811484,0.7404361613138191,0.0250129034690766,18.723766966061223,8.149086974657248,11.0212311783289,2.064139376284635,2.1975392141983145,4.83579931288253,0.4395078428396629,5.713601956915619,0.1538277449938818,19.77785292778483,-2.1975392141983145,-4.83579931288253,-0.4395078428396629,-5.713601956915619,-0.1538277449938818,-19.77785292778483,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.252525978429384,10.04946606836807,10.810730136430577,11.536977141560888,12.228565990026448,12.885734438916456,13.508763250163351,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_105,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1412436447718603,0.8739360046800149,2.2724431280179087,4.256218069503407,6.199900910823633,7.4969426241913295,8.17890633848816,8.497440631672387,8.616865615212392,3.546536247820636,0.6545514883425168,0.0059455312347351,12.042708332139815,6.588696639239289,6.347052488951627,1.6708698518990366,1.839765812636803,3.777552793823617,0.1051549891770283,2.68100572605303,0.6215301819164495,11.301928846724582,0.78821592086652,1.4635625763887363,-0.1051549891770283,-0.0530239925497065,0.5479216894925297,-11.301928846724582,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,6.356229945871693,7.263030056090138,8.178551421937371,9.085929789803968,9.9721637495123,10.82771505084587,11.646015674804012,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_106,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2362580735636542,0.956465335988644,2.2453803886725403,4.444544228977048,6.89896498367769,8.621669864883373,9.544512837984602,9.978710779503269,10.14196279673444,3.610134494529158,0.7573363147405486,0.0252778467240402,15.597314455608892,6.929593107120803,8.947843637939199,1.8436882673224355,2.2639759707159386,4.863973119712381,0.3375153752900415,4.964098973036271,0.3972893084069166,18.07018735938053,-1.1111777821844766,-2.5632282215401347,-0.3375153752900415,-3.811300784504809,0.1610285457038877,-18.07018735938053,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,8.613373167826136,9.436110146190392,10.230386248568472,10.994728520997576,11.72732332875238,12.426484686422455,13.090957108927862,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_107,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1152836694290737,0.7682317872914746,2.378580388016011,5.095928359048828,7.882310904833734,9.75629599331062,10.742675360297303,11.20343282710715,11.376174851316437,4.097512887316606,0.5594035259147901,0.0046261293587727,20.9349998537026,8.741335476532495,11.982107969204275,2.066574599021121,0.9001023552211738,1.9191766755872104,0.1199263695195948,1.8595133113779323,0.1869269837732304,6.899039166497765,-0.2991613399747744,-0.7198654474036236,-0.1199263695195948,-1.258572296131533,0.1029785251095141,-6.899039166497765,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.373630184908593,8.160233103697601,8.929959648033932,9.68207358139682,10.414843083689084,11.125963000750438,11.813010887624738,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_108,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173792379943423,0.902533469567439,2.330385535007592,4.897214840042765,7.646193085826366,9.52788442056026,10.525368721811628,10.992677215464242,11.168080033681296,3.935197877591355,0.7081659437580865,0.0232573437755505,19.30209850805531,8.411818113229046,11.01136135366817,1.9555764225876149,1.7611599814347048,3.857777782275008,0.3349353769864184,4.440642997326053,0.1580755491780842,15.504507446901892,-1.5881937884294794,-3.512649354707164,-0.3349353769864184,-4.267676804320827,-0.0763792147124084,-15.504507446901892,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.112755156486616,9.963703356433005,10.776838466707934,11.5497685679076,12.281462202652111,12.971847648919397,13.621531487777366,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_109,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1041686041600523,0.7449260619178034,2.4594819205978244,5.380813872616274,8.322172404594461,10.276814812167911,11.299708472140546,11.776286378938035,11.954767936128077,4.313728272476159,0.5341607403445839,0.0038045605551257,23.318159145205524,9.703334598174743,13.385218030157503,2.123298731146264,0.6951697573339195,1.520055391283914,0.1295480422048285,1.7315540949725474,0.0685822924634806,6.066809630766167,-0.6003106647143653,-1.3307166424152836,-0.1295480422048285,-1.6366950023529934,-0.0221013370798991,-6.066809630766167,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.367363307446961,8.181799007260047,8.979138783609502,9.75705345212653,10.512949548951983,11.244122854501011,11.94805082437438,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_110,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2209781220710307,0.9311346456224988,2.4091196982724226,4.942616177962137,7.595159926237687,9.398203028550046,10.35202939760825,10.798586991359173,10.966162241784364,4.003621075961989,0.7269365616073433,0.0238432377906277,19.17003533138047,8.543829110976814,10.891762364384052,2.104234820367669,1.9568906796928447,4.304772713750491,0.3899437962802338,5.076441049934716,0.1399944608610029,17.583329324068906,-1.9425472831094928,-4.27614329417012,-0.3899437962802338,-5.062097653351363,-0.1329661965351604,-17.583329324068906,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.467435327332314,10.26288319512668,11.022154303940145,11.74558218619396,12.433489092327957,13.086203202484704,13.704142995441291,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_111,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2193144957795155,0.942837829408666,2.4507834931456327,4.954705722979032,7.566223055393922,9.34928150335216,10.295496690730598,10.739173435764911,10.905777026153729,4.030946680010296,0.7321101520278902,0.0236620706851251,18.948532671403367,8.800063793315124,10.545774065384636,2.1687805360075525,1.7703525465271686,3.895752836965453,0.3540705093054336,4.602916620970637,0.1239246782569016,15.933172918744516,-1.7703525465271686,-3.895752836965453,-0.3540705093054336,-4.602916620970637,-0.1239246782569016,-15.933172918744516,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.612800812049636,10.41939378223665,11.187245191692275,11.916902057919184,12.608893501659882,13.263777733267297,13.88222356385988,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_112,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177910595266414,0.939694185231454,2.4270776361173034,4.824687229986469,7.273481589832197,8.925735771278909,9.797416069760857,10.20505723687064,10.357959395412012,3.947509548634679,0.72917027790593,0.0234432547607881,17.899089989225597,8.411160927867115,9.961113282922444,2.130453154746764,1.879528829492408,4.136000924797178,0.3759057658984816,4.88677495668026,0.1315670180644684,16.91575946543167,-1.879528829492408,-4.136000924797178,-0.3759057658984816,-4.88677495668026,-0.1315670180644684,-16.91575946543167,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.892942640818086,10.659974857413255,11.394083727430678,12.095317607068193,12.763514762633044,13.398518855431142,14.000340167230512,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_113,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2200046119155733,0.9263313872425296,2.3499831894591803,4.739275917876908,7.247760920064442,8.958760806369149,9.865156398310107,10.289724238606691,10.449077331339712,3.854136545655914,0.7242288688730832,0.0235930401881226,17.99715715243203,7.880166068661832,10.359907674614464,1.995225253313046,2.0757831888742424,4.565548005950962,0.412887442760739,5.378882730960155,0.1500701327508267,18.63666479958599,-2.053091238733148,-4.520254873469336,-0.412887442760739,-5.35619078081906,-0.1389510771816902,-18.63666479958599,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.60658622991468,10.385856858649088,11.131946337826944,11.84443190018248,12.523087018499352,13.167850510457775,13.778865497702968,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_114,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1028325356241147,0.7396972443434455,2.4649784890028656,5.422931340608559,8.371856067349382,10.312118019392742,11.321876022446151,11.791114212695105,11.9666550406584,4.344547541425349,0.5298786139920277,0.0037056143179536,23.726051337388785,9.801509843891,13.5908612343288,2.145112904265436,0.7112038559160705,1.551065672169747,0.1285763774113869,1.7398148752071656,0.078479496834962,6.127546827808089,-0.5745599181977985,-1.2783243724840758,-0.1285763774113869,-1.6031709374888936,-0.0115239673530087,-6.127546827808089,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.472459546994359,8.282299389720734,9.075279427147656,9.84930069624508,10.601779881203464,11.329930367871835,12.031124511823204,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_115,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169966389046234,0.9260430189088418,2.4819382082752446,5.238201680843297,8.161843426759061,10.157037143960707,11.21338335078302,11.707997011677344,11.89360625277386,4.210286127166078,0.7194597628444759,0.0233151462499774,21.90040237202272,9.583016084852854,12.359791937110211,2.1351321395179563,1.76013570566525,3.8693641349266543,0.3482080511740932,4.545800115057996,0.1312295883103764,15.764839551808114,-1.7219448060756828,-3.793135099345879,-0.3482080511740932,-4.507609215468428,-0.1125160475114885,-15.764839551808114,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.073043306486476,9.975014418745204,10.82652487865054,11.627915899433752,12.380384063278012,13.085611827021983,13.745566806323543,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_116,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1140781605791279,0.7678686020389323,2.4547161713114387,5.389829724656869,8.394411824430358,10.397265408797535,11.445159724875827,11.933174420989795,12.115895830670803,4.308576595689156,0.556907134027563,0.0045339417371123,23.706700358347405,9.589929524013934,13.61304337246984,2.2145913291098465,1.001295142339068,2.152867465099713,0.1508490369108427,2.20808743762581,0.1738516422333735,8.023456449912194,-0.5071952267693596,-1.166644033622575,-0.1508490369108427,-1.7139875220561016,0.0682573163957836,-8.023456449912194,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.38598109941548,8.190361159391816,8.974767869294505,9.738644832972271,10.480490592392574,11.198290893374804,11.889951586074076,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_117,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2217519639339404,0.939150253235978,2.4407530336035004,4.897658245661714,7.371516057084993,9.023911251701756,9.891897674249376,10.29710053787154,10.448983609104678,4.002025862017428,0.7314743480441879,0.0239714118819922,17.917260380657797,8.206813396268778,10.229886392970824,2.1276483745654984,2.195658793292278,4.826817263826957,0.4344333706021281,5.671125758109303,0.1625055931360733,19.666961378503952,-2.148674912729004,-4.733114961625589,-0.4344333706021281,-5.624141877546029,-0.1415977662854161,-19.666961378503952,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.153560416888276,9.989831694501095,10.784409731556016,11.53825814715892,12.252296088591788,12.92740854768315,13.564525822949909,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_118,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1047477012087688,0.7466415587231344,2.356733690859925,4.752983014664745,6.972286144419442,8.400014561862001,9.138525218566508,9.481098789424342,9.609180294365872,3.910530969471987,0.5358180703859532,0.0039727756355725,16.76774236150434,7.464592461643368,9.87594892877793,2.002570662911255,1.2386055610199294,2.682654087838519,0.2060514323027155,2.887017019441654,0.1648330390862769,10.314056451153958,-0.8219087620072261,-1.851614826727534,-0.2060514323027155,-2.4703202204289503,0.0205970364743761,-10.314056451153958,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.752969776353586,8.499248892261786,9.240073174802678,9.971786823368124,10.690076774984728,11.390602300297278,12.069451136577024,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_119,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2180186094894037,0.9266892807961248,2.315281272188608,4.39127117729694,6.390158762581194,7.698985209545891,8.380394252510726,8.697256071471985,8.815835252038092,3.649811641847161,0.7227354061311735,0.0232680300512113,14.87238667893756,6.94499061673868,8.617404671322225,1.8880892796226123,2.59826905928718,5.715845881609801,0.5179270649367255,6.741685578780984,0.1851164846264347,23.349886595170407,-2.5810015900800742,-5.681408504396609,-0.5179270649367255,-6.724418109573878,-0.1774324608292727,-23.349886595170407,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.284979678719978,10.103652332007146,10.88558222478325,11.630785372766908,12.339147934510256,13.010637827610536,13.64545452754963,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_120,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161685681018648,0.920351074415157,2.339805950365353,4.534469468798724,6.692134511034438,8.122511035860946,8.871889148162225,9.22136034776296,9.35230023752605,3.744082848357222,0.7168302056030131,0.0233273404230958,16.0067055672574,7.402986302448946,9.186431658225525,1.9595554253369905,2.1650236924272246,4.750708681657206,0.4198734063345369,5.52401094310352,0.1761729062528578,19.22258658882686,-2.0337103709181457,-4.488823958905575,-0.4198734063345369,-5.392697621594443,-0.1177384781813177,-19.22258658882686,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.3836724923152,10.21475055676337,11.00804232294758,11.763226886832005,12.480002618071582,13.158268391676897,13.798245812517742,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_121,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1113998870752772,0.757141271159263,2.355657257275957,4.937491490717799,7.4962832289523345,9.192543443249914,10.080324706552624,10.494074396127386,10.649051860512236,4.002930602047483,0.5491691620670205,0.0043490658289449,19.16839919813131,7.974859779244435,11.534692759295108,1.997417431491588,1.5623322684117498,3.393377530046669,0.2688434454777427,3.713079832233691,0.2009715760184976,13.188530251613605,-1.1261021863656773,-2.522662286282708,-0.2688434454777427,-3.2768497501876186,0.0127811641840779,-13.188530251613605,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,7.836370783241227,8.61084466016477,9.374486639837947,10.12411062675077,10.855963139080956,11.566285252925743,12.25173060503225,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_122,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2270037276335872,0.94722449326712,2.4162747751713334,4.906622355206535,7.544089058374551,9.349498347538225,10.306971407581312,10.755624110993589,10.92403732756782,3.9807407275932856,0.7404286340221665,0.0250119179276382,18.767850760716627,8.170272074273488,11.042783602364286,2.0660664168438507,2.1985610753459373,4.838047971474653,0.4397122150691874,5.716258795899437,0.1538992752742154,19.78704967811344,-2.1985610753459373,-4.838047971474653,-0.4397122150691874,-5.716258795899437,-0.1538992752742154,-19.78704967811344,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,9.238481125663098,10.036321047339417,10.79838395905957,11.525359313209975,12.217623134561702,12.875422405152584,13.499042807134757,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_123,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1413710095279889,0.874453662484677,2.275490613310988,4.266216264153897,6.217391251666722,7.519271541840348,8.203699691241152,8.523365528280369,8.643211543095566,3.553848191790852,0.6549264451172073,0.0059577401058684,12.116715913124258,6.614859162977107,6.3880927749849725,1.6747989309639473,1.840307138554014,3.779010089597739,0.1055213313377576,2.6844777892560745,0.6210841803982409,11.311962319525222,0.7850938251764377,1.4569583224180882,-0.1055213313377576,-0.0590768255256229,0.5472192484618102,-11.311962319525222,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1885,6.355254504561214,7.262420897524607,8.178023110492097,9.085308774545563,9.971355218918934,10.826677351583283,11.644741348550813,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_124,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0951477776740075,0.6125429542514671,1.9737589340545705,4.416164257306823,7.030698079326078,8.824737185951575,9.77679847199054,10.22301091066788,10.390521046859654,3.502607144006441,0.4441594127285388,0.0046068964075961,16.77224981645204,6.069844391122737,9.914302608012823,1.1452371687741492,6.671286900204311,14.68792422173964,0.606407486801649,3.604798396029301,0.7377356416179228,20.945763105665577,3.6346020505677736,8.286055547478163,0.2733423352637068,-3.416032399008808,-0.6622292428097252,6.679327059045424,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1885,9.516089308686617,10.404314845515286,11.254756441499076,12.065658128590115,12.835407933835183,13.562889894931256,14.247650925392922,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_125,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.113773277966961,0.7644241023858399,2.3887121930981827,5.050955869614033,7.747423400265656,9.56266709419886,10.520060405884571,10.967794832376583,11.135741246020547,4.080562322208962,0.554733362515869,0.004559597582912,19.99344804972721,8.433160904420399,11.74016271350952,2.007374383754759,1.9294518028725485,4.0413070237147934,0.1858903605745096,3.416574687468626,0.5550616262010785,11.50616262010784,-1.9294518028725485,-4.0413070237147934,-0.1858903605745096,-3.416574687468626,-0.5550616262010785,-3.365066225852937,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1885,8.252894013285047,9.11928930066406,9.965454628423606,10.786531879511708,11.577971902598316,12.335952468573106,13.057629285901772,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_126,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0949019039832615,0.6113362304120219,1.9708306009776184,4.412181422249137,7.026726433117216,8.820927279657528,9.773072734535004,10.219320422577624,10.386842886281592,3.4988152806022788,0.4432433220848542,0.0045857247991292,16.75367727169013,6.054948790060756,9.907931201124583,1.140760419355194,6.648175326404258,14.636650120554856,0.6028090863929674,3.568258334229735,0.7362786265680858,20.83005823487502,3.640583015097444,8.298465388400201,0.2752342117535061,-3.3769979214124795,-0.6597744614411835,6.770761185210287,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1885,9.51073041692379,10.402323924415684,11.25564443767386,12.06895561038,12.840681062947668,13.56974916890951,14.25575468769802,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_127,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1138144950011707,0.7641535678825129,2.386510409640933,5.045833822166009,7.737979409098335,9.549127934817369,10.50397662881005,10.95043304511141,11.117885922606156,4.076565148376206,0.55463869584883,0.0045638917698345,19.946346769802744,8.416660747422627,11.712309567793625,2.004657729309788,1.922770082478604,4.026603550538455,0.1845540164957206,3.399202214444369,0.5545939057735023,11.459390577350222,-1.922770082478604,-4.026603550538455,-0.1845540164957206,-3.399202214444369,-0.5545939057735023,-3.3049307423074303,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1885,8.268478620773129,9.132369528122444,9.97631006621382,10.795441183497651,11.585201024317277,12.341746469323228,13.06220800663175,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_128,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0950535167053937,0.6119836208698678,1.97248607616806,4.414989865481231,7.030017941291197,8.824309602356802,9.776454663685582,10.222693340654017,10.39021114159628,3.501295791709932,0.4437473388428348,0.0045987073137017,16.76835716866544,6.061786685655089,9.916742327090384,1.1427342721086255,6.6648587035115145,14.673782639272009,0.6051085213779742,3.587778584670376,0.7372450112679347,20.90016605498581,3.642110174087388,8.30241063555263,0.2746635108292404,-3.398188077454442,-0.6614088083815611,6.73441309695679,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1885,9.500375605537918,10.392679996506716,11.246486314322247,12.060130447278295,12.832092317165513,13.561341645197125,14.247501791342955,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_129,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1137251709223301,0.76407941310063,2.387076583178143,5.047057952996991,7.740884234123021,9.554015937932792,10.510179577499224,10.957311658097792,11.125027687835816,4.077504548486958,0.5545076074119568,0.0045565236783526,19.958131532347345,8.418317639758662,11.72215109668253,2.006282977389801,1.9294273722318955,4.041253262819643,0.185885474446379,3.4165111678029274,0.5550599160562327,11.505991605623263,-1.9294273722318955,-4.041253262819643,-0.185885474446379,-3.4165111678029274,-0.5550599160562327,-3.3648463500870567,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1885,8.227946733609654,9.09698476023029,9.94543213774389,10.768477181342002,11.561617141605147,12.321071809702058,13.0440331050485,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_130,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0950301953087885,0.6117006845667433,1.9717317027622088,4.412968957101688,7.026714509194687,8.820364884832479,9.77225166133404,10.218388020512844,10.385870410911387,3.499782386142136,0.4435472048884773,0.0045987064866802,16.759532244607776,6.057703901398921,9.91187249045168,1.1415988179377348,6.66881169088762,14.682390573808377,0.6061286994673574,3.6033367059739816,0.737624007006519,20.938168094255847,3.632844333269907,8.282155651214302,0.2732606983829201,-3.4146587570946467,-0.6621528274547851,6.680058306481679,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1885,9.541407475980536,10.429536376443965,11.279701888022776,12.090179143753716,12.859384197900145,13.586226889943935,14.270277686545985,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_131,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1137244359011473,0.7641256148147335,2.3877417776580634,5.049013219521633,7.743675588089464,9.557159771146273,10.513464972986462,10.960655373129294,11.128392160788092,4.079035597823597,0.5545278512964749,0.004555666613325,19.9773276920324,8.427000457979549,11.730216684991104,2.006078198297075,1.927053260826048,4.036028907217281,0.1854106521652094,3.4103384781477226,0.5548937282578235,11.489372825782327,-1.927053260826048,-4.036028907217281,-0.1854106521652094,-3.4103384781477226,-0.5548937282578235,-3.3434793474344224,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1885,8.235928313496386,9.103640207016149,9.951022204140427,10.773217392931182,11.565680710057812,12.32459541011312,13.047123381310229,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_132,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.060775679916857,0.4389388677363426,1.7074094499270664,3.995756164944857,6.315893471700402,7.864157669105247,8.676760444658015,9.055949278339112,9.19805594227072,3.156725562375573,0.3039303806668316,0.0034070170090705,13.140123688020555,4.873389950565576,7.611612573380722,0.8818049382430708,7.892189399029614,17.20597572454587,0.8617499942465341,9.08099260179839,1.183093449455489,30.39975215500134,-0.5089936033545028,-0.6338558014588581,-0.1905503764578878,-9.08099260179839,-1.183093449455489,-6.430760819653429,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1885,13.50118095235,14.465046234177164,15.326500750601882,16.09704866868117,16.787400582634334,17.407116495672554,17.964569575022512,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_133,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0462737636532887,0.3939619726925723,1.377446686973736,3.027872796189204,4.675489595513112,5.775099670068866,6.353370915777659,6.623551369025467,6.724864624280112,2.4286539981385817,0.2755321184908989,0.0012513109973732,8.720234028491149,2.8271285348406674,5.039062647567107,0.3217163938713236,4.008100596047264,8.550115918779875,0.5398206564951026,8.326665848008085,0.7714410343127149,20.04050298023632,-4.008100596047264,-8.550115918779875,-0.5398206564951026,-8.326665848008085,-0.7714410343127149,-17.746942974420868,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1885,16.112690131898304,17.010690988532932,17.796293311523158,18.482941905442548,19.08345898063453,19.609492633107934,20.07132737139324,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_134,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2051838947398633,0.5913631448823374,1.5992200877345326,3.7185037275006416,6.060346233755904,7.6680064297086625,8.519683674740172,8.918455544339723,9.0680917165638,2.9084513940974857,0.4802262757845658,0.0422041458829102,11.43170950129463,4.498353487481867,6.3444733859253,0.8215219945678276,12.57777723470333,27.869245445797663,1.2945647941101133,8.613281277736306,1.3764954224179766,40.14374579905228,5.955300107452812,13.729594508842125,0.3902604188131723,-8.613281277736306,-1.3764954224179766,8.49309266365936,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1885,16.936191891796412,17.912853320301952,18.718237029069986,19.386986998547087,19.94637092564543,20.41772813141306,20.81776467599137,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_135,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0457081210952296,0.3718889284067748,1.223963245068279,2.8093458990732145,4.551509276868297,5.757403887958251,6.399244645975978,6.7004005260425945,6.813504762685948,2.2088962283738,0.2647598074910017,0.0012233992668662,8.741844186598202,2.266977232895736,5.246493961489032,0.1732379360413135,4.168732603056418,8.902248855272655,0.5319500171703125,8.030157048914909,0.807767043996476,20.21761926995219,-3.658622884639463,-7.757270493397187,-0.4855764064051348,-8.030157048914909,-0.807767043996476,-15.395805555188458,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1885,15.594305521788309,16.541565251028224,17.3723205855169,18.09972112490128,18.73666773079795,19.295087247571665,19.785633157165147,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_136,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0606749428292919,0.4384381561861896,1.7088123174495498,4.00493468578468,6.334800751711597,7.889810117149308,8.705966461408781,9.08681198253588,9.2295390036225,3.1626960860053863,0.3034535575944646,0.0034053119826619,13.20397743706931,4.900629263586043,7.64257086543218,0.8844972474038475,7.881511984176213,17.180436262646975,0.8617922234916243,9.11300388536797,1.183556678068964,30.413628218409684,-0.5531231895699062,-0.7313346394226065,-0.1955750603455964,-9.11300388536797,-1.183556678068964,-6.594226715893039,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1885,14.364103220101342,15.248375873506085,16.03702866196893,16.74195751542046,17.373645173536055,17.941130346962982,18.45215393173527,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_137,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0460591285324591,0.3939838006728532,1.3815371594456685,3.0424582996397525,4.703202800039188,5.812554362097205,6.396194002049144,6.668933759444781,6.771214628200413,2.439045849450145,0.275304377522016,0.0012373185568592,8.78854581649434,2.8549161969962715,5.071534359432837,0.3245831087448786,4.016393261593665,8.568386137979196,0.541500312043408,8.348395757940928,0.77198191632779,20.081966307968315,-4.016393261593665,-8.568386137979196,-0.541500312043408,-8.348395757940928,-0.77198191632779,-17.823055535070246,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1885,15.388492510936434,16.366303698281598,17.22202772028424,17.969778404767695,18.62336874915397,19.19549306465527,19.697418249681974,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_138,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2051559277930735,0.5910782220566516,1.5996488690631292,3.720184948028996,6.063596164364137,7.672690844214754,8.525250539356414,8.924463786632153,9.074270118231029,2.9096868408597087,0.4799769548536934,0.0422041025516367,11.44369786758171,4.499835406896741,6.355608583179723,0.8226801437977991,12.561939309131112,27.833706603182232,1.2924601306272467,8.598203917595361,1.37557810646137,40.09250573465847,5.9483643146443,13.714016084281576,0.3902947442614268,-8.598203917595361,-1.37557810646137,8.516717211854766,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1885,16.803896591418578,17.793181856776776,18.610449656565148,19.290012677922245,19.859059490622872,20.33897152084962,20.74654916683724,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_139,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0456991987381479,0.3716579100158849,1.2236628857930252,2.814736923440563,4.56568791487046,5.778095907132951,6.423470335455891,6.726295270405954,6.840027891132117,2.2116595103574657,0.2646462952279651,0.0012233589312031,8.783381136557638,2.274166310999208,5.266685687125694,0.1693092006591033,4.163551813219513,8.89063676308643,0.529512592062634,7.99328993118068,0.8084855746090044,20.17235961312242,-3.637670777461989,-7.710258532435159,-0.4817052251755863,-7.99328993118068,-0.8084855746090044,-15.22026399021529,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1885,15.32081927353004,16.297297888561413,17.153700906040193,17.903512506811502,18.56001482661909,19.13550827752448,19.640988024674936,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_140,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0604140346342862,0.4328385624017712,1.6975425996496665,3.991574452306039,6.317992238946816,7.869926998259307,8.684292104800761,9.064267487962129,9.206663294259446,3.1501548302700364,0.2996083783137197,0.0034164648396649,13.144726655662453,4.855790612993798,7.611466067092516,0.8710670988818028,7.886990709015429,17.193733723572514,0.8615397876340276,9.090478535494515,1.183219954373923,30.39975220307629,-0.5249748007184315,-0.6691535980611192,-0.1922656141524821,-9.090478535494515,-1.183219954373923,-6.483436859451552,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1885,14.407781677785607,15.284925040166016,16.06760050649535,16.76754046097207,17.395075103650086,17.959107550314936,18.46726143278513,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_141,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0460463488201699,0.3928518596555921,1.3759363485116112,3.0308018754005164,4.685881854915335,5.791317475629144,6.372822535767599,6.644545015024866,6.746441028748576,2.429478954136681,0.2746836968167569,0.0012376303842832,8.731562822162248,2.8313415624513545,5.042990550926998,0.3226668576091206,4.000793716742258,8.53414803044973,0.5384438562854522,8.30810675430454,0.770741246824915,20.00359088115388,-4.000485959102879,-8.533457246045767,-0.5384158783182359,-8.30810675430454,-0.770741246824915,-17.686499829975205,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1885,15.047974248848735,16.060647864724867,16.947591614826308,17.722970637710226,18.40087069065753,18.994338187043844,19.51500192089508,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_142,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2046641844458266,0.5922625293561534,1.603877972865019,3.726176174149041,6.070136513839244,7.679323441788824,8.531872200506923,8.931068174527601,9.080866137184223,2.915262911636272,0.4805561325582452,0.0419599265452394,11.481319458704837,4.508760329943012,6.399510173285289,0.8319377691946267,12.561933617650622,27.833200665117687,1.293190435091592,8.616368961376212,1.3757701898640324,40.11205751771235,5.932415736123331,13.678711503017317,0.3881140516151311,-8.616368961376212,-1.3757701898640324,8.434384096036219,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1885,16.6321086429958,17.639837708960464,18.47345361988611,19.167326263047524,19.748831910094488,20.23957712092008,20.656583546700443,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_143,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0456528269782707,0.3713377981643032,1.2199442653693957,2.801217343369397,4.541293872256071,5.7462364999215065,6.387637414256992,6.688595814107819,6.801626943541814,2.201924158297264,0.2644553021974544,0.0012203822663288,8.70335972634579,2.253211617782728,5.2194041037711445,0.1690778192351927,4.188999222169761,8.945552568954147,0.5349463649061938,8.076410883690457,0.8114169689001268,20.322154936808857,-3.681499006285359,-7.806431425294997,-0.4888099816439755,-8.076410883690457,-0.8114169689001268,-15.509317192447078,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1885,15.652726310671271,16.59537755996886,17.42191668425035,18.14544364130592,18.778833873119144,19.333996232756565,19.82156695484945,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_144,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0605491652767929,0.4346003730175896,1.703576868819363,4.003800152731676,6.337006022589861,7.893729534756915,8.710663244216352,9.091847171987034,9.234697320820567,3.160075347215485,0.300744956551092,0.0034264208908302,13.21925566525736,4.892897952145456,7.650805794801151,0.8797409506978591,7.88506376656843,17.189447291580446,0.8616091526847929,9.09419188182315,1.1828680765610118,30.398194252369336,-0.5296289232202106,-0.6796388449694927,-0.1929332578349548,-9.09419188182315,-1.1828680765610118,-6.510790115821832,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1885,14.349957707562416,15.232523594753316,16.020097585576103,16.72441390600583,17.35583559209351,17.923312283883096,18.434517690041044,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_145,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0459899735327441,0.3942327351775818,1.384511738335966,3.048843528172827,4.710934420824357,5.820370442564725,6.403858134937759,6.676487409172542,6.778720838339555,2.444463676133147,0.2753448029914366,0.0012318527332684,8.800224111824116,2.8666111386582123,5.078643832440748,0.3292209881753959,4.025834432693058,8.589770682170478,0.5439789927634846,8.377666374800935,0.7715357111168766,20.129172163465288,-4.025834432693058,-8.589770682170478,-0.5439789927634846,-8.377666374800935,-0.7715357111168766,-17.94935732997864,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1885,15.364981559884429,16.348220191637463,17.20813233346705,17.959100395170385,18.61516198850104,19.18918854212645,19.692582878339824,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_146,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2047433186829736,0.5925917275602012,1.6038435842658572,3.722143719495421,6.060530494745255,7.665790281891941,8.516272419531013,8.914507201494494,9.063945714696356,2.912985537865673,0.4808032802914268,0.0419861514874836,11.44467929988448,4.501288125813526,6.376487285751255,0.8322206587489446,12.5652049182157,27.840694462296494,1.2935433788031094,8.616478777748359,1.3758088970592148,40.11890837848498,5.936889773527168,13.688602680207048,0.3884652295371515,-8.616478777748359,-1.3758088970592148,8.44117315417646,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1885,17.24117027282529,18.18008006970008,18.953278858477447,19.59465846469241,20.130744484562072,20.582212972159223,20.96520360474988,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM1885_147,RSM1885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0457979711655304,0.3722604911963782,1.2259013552589408,2.816298641640832,4.564126922137399,5.773953305072633,6.417909470992534,6.720065425070634,6.833546626500826,2.213889196344269,0.2650527374482604,0.0012287482233394,8.782093347094397,2.28103630212868,5.264582029966413,0.1721248849675862,4.149430400670949,8.85729230216852,0.5276380758598855,7.996254060210307,0.8097224069156773,20.152705792874,-3.665066821760716,-7.770103022862401,-0.4836050232316826,-7.996254060210307,-0.8097224069156773,-15.24080267533088,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1885,15.297804666176177,16.276048208696107,17.13428817843959,17.885860614208248,18.54398620943073,19.12094660642561,19.627738554772247,[OH].[O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2.[Zn]acs.cat0,"linker [O]C1(OO1)c1ccc(cc1)n1cnc2c1cc1ccccc1c2, nodes [OH], [Zn], topology acs"
RSM0240_0,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0067256551424269,0.214461768978629,1.1132508929021678,2.8707824142314897,4.815387519092953,6.177502896236013,6.908185456224008,7.252362924320852,7.381841588049657,2.205007580310465,0.1258251190246894,1.2812278425057886e-05,7.442040190905293,2.472961787454483,4.391804699319295,0.3744899256852026,21.815282383679403,49.29263903480491,2.116468911954201,5.582344559771004,1.3955785491767911,70.07641191839701,-21.815282383679403,-49.29263903480491,-2.116468911954201,3.2529663206869905,1.3955785491767911,-70.07641191839701,-21.0,-47.5466,-2.0,5.0,1.54,-66.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0240,19.69319092461645,20.11056684272303,20.44521665380497,20.7169657981982,20.940207528173605,21.12554757849468,21.280910953076965,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_1,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0067270072661988,0.2144822270736157,1.113295542782942,2.870838879456472,4.815457751851235,6.177585002011683,6.908274530371137,7.252455403559707,7.3819353670413586,2.2050601419547187,0.1258393391706646,1.2816888165411496e-05,7.4422365223107665,2.4730877084185847,4.391874246476112,0.3745218348741603,21.81524161547496,49.29255172410404,2.116463087924994,5.582315439624972,1.3955857709730068,70.0762080773748,-21.81524161547496,-49.29255172410404,-2.116463087924994,3.253053681125085,1.3955857709730068,-70.0762080773748,-21.0,-47.5466,-2.0,5.0,1.54,-66.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0240,19.69325448939168,20.110620377220897,20.44526231778783,20.71700518418705,20.94024183231046,21.12557771464704,21.28093763041541,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_2,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0586968726508628,0.5678920663469805,1.8550818349867573,3.972360249950342,6.114110326814057,7.537275646308413,8.28096212672298,8.627123037518503,8.75670409153799,3.197681401525247,0.3967755722696185,0.001109782222452,11.907938485407778,5.299250884384932,6.776707085607744,1.0864733330346523,7.727544234323434,16.468764629610774,1.0421186854519702,1.5475429108756136,1.0052153509485169,40.310586810020766,-7.727544234323434,-16.468764629610774,-1.0421186854519702,-0.0644937179391949,1.0052153509485169,-40.310586810020766,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0240,11.091436024376325,12.069716359889895,12.978796786811548,13.817843303665088,14.588216940085102,15.292797648036744,15.93543603704692,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_3,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0586807087198849,0.5678264363560622,1.8549959146668773,3.972064206920604,6.11319943300102,7.535794371396824,8.279145517553149,8.62514310874511,8.75466194590521,3.197511832725477,0.3967212653780145,0.0011090479024743,11.904998745790971,5.296288155644433,6.776650046056185,1.086059572857461,7.726507922951955,16.4664985491675,1.0419253673856408,1.5450297760133302,1.005314038134457,40.30223610223509,-7.726507922951955,-16.4664985491675,-1.0419253673856408,-0.0619108620370802,1.005314038134457,-40.30223610223509,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0240,11.085966092145696,12.06501538731898,12.974742667993134,13.814335679420289,14.585171507086786,15.290143279256844,15.933112841978271,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_4,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0586925434128268,0.5678843909897754,1.8550828242161688,3.9723541234468143,6.114089481436702,7.537245760618827,8.280928077952343,8.627087198092811,8.756667606463143,3.197679744060296,0.3967671654234337,0.0011095543521248,11.907882068108226,5.299212282124665,6.776697798737183,1.0864674730986974,7.72766180474011,16.469011324167386,1.0421305359637114,1.5476969675282497,1.00518525182261,40.310828493759246,-7.72766180474011,-16.469011324167386,-1.0421305359637114,-0.0647060924498029,1.00518525182261,-40.310828493759246,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0240,11.091363221663537,12.069646254998002,12.978729190020768,13.81777819067969,14.588154355490856,15.292737647216786,15.935378656669016,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_5,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0586772063587891,0.5678002040759499,1.8549399163013256,3.972007420539851,6.113159822963163,7.535767888222019,8.279125764267912,8.625126412829651,8.754646379774915,3.1974516639267425,0.3967017511598824,0.0011089575088278,11.904828847200656,5.296105975273146,6.7765694958141625,1.086003317085467,7.726447162011994,16.4663742756331,1.0419223655197118,1.5449907517562549,1.0053354482541224,40.302329776319866,-7.726447162011994,-16.4663742756331,-1.0419223655197118,-0.0618260861696898,1.0053354482541224,-40.302329776319866,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0240,11.085925662685488,12.064977585296331,12.974707387523775,13.81430284284303,14.585141025041592,15.290115040131363,15.93308671470616,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_6,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415993146669185,0.5064658876049959,1.4844102273860529,3.381347159589776,5.478135313589457,6.944473264603512,7.730245821131697,8.10017402182995,8.239307097456441,2.662648636178913,0.3956108615990185,0.0203178581752655,10.733530077778951,2.989764572890224,6.984390474064637,0.5679757863809874,3.1196985480692567,6.77946309410607,0.5409184147235718,7.447045865857831,0.3740438262841218,22.265796290303747,3.1196985480692567,6.77946309410607,0.5409184147235718,7.447045865857831,0.3740438262841218,22.265796290303747,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0240,3.328692338893441,3.9679440104949273,4.632477189725148,5.305311943190793,5.972832591342971,6.624989153956203,7.254977130102531,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_7,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409183492949473,0.5131935099845316,1.5932734793526535,3.699903810777927,5.897647995003815,7.368020067309991,8.138558439752595,8.497693441858235,8.632207589456923,2.914407207791312,0.3979262052382386,0.0201091253612582,12.029193729030924,3.870082070351008,7.39902259848581,0.6744062575394965,2.849300239005712,6.173420190299866,0.4764196148757666,6.40319687564919,0.3349063973757443,19.199419452161106,2.849300239005712,6.173420190299866,0.4764196148757666,6.40319687564919,0.334584572022791,19.199419452161106,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0240,3.04384337023681,3.664905808117594,4.316928798714655,4.982525794727172,5.6474237556759,6.30083045882072,6.935214720319509,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_8,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1441803129142855,0.6009963251986127,1.615444824171727,3.413499364373012,5.397412381296276,6.7817879978914775,7.521878050889991,7.86983319753167,8.000623227821366,2.7337390971692805,0.4629175186649484,0.0187542590257353,10.915727049724698,2.905376435831712,6.6753604981224015,0.3195049879560045,2.680239719801253,5.857942022902806,0.4973682962191288,6.485365181651514,0.2333075172432007,21.479764976796293,2.680239719801253,5.857942022902806,0.4973682962191288,6.485365181651514,0.2330902411083223,21.479764976796293,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0240,5.0065112540329295,5.31679617851584,5.669185630395869,6.057817601592679,6.4746329510539695,6.911169463912331,7.359639870861319,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_9,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.146771848363091,0.6288211345277152,1.6948855985932576,3.356099529840484,5.077798473413568,6.266439470599342,6.901904594856352,7.200942101353163,7.313403772045352,2.749058644754933,0.48020396002578,0.0192090426002187,9.46391980492082,2.96644313375063,5.739681959621295,0.5428630034011538,3.033485393354548,6.553136122794895,0.48607650627457,6.867622470195567,0.4300668876978526,18.88760748096166,3.033485393354548,6.553136122794895,0.48607650627457,6.867622470195567,0.4296666717388877,18.88760748096166,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0240,4.76209455254672,5.089367660222911,5.4538388216833615,5.8512641484962105,6.274774500431662,6.716716417681682,7.169810423110191,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_10,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1455942267812635,0.6106529452751168,1.6339974332525258,3.2832582496880653,4.992915015384008,6.163896450228937,6.786998596199044,7.079587881654677,7.18952624223707,2.678047016394556,0.4692590668159976,0.0190023906660268,9.23952499132206,2.826983485508268,5.3102336721079295,0.3319823341895084,4.374624727680108,9.53642521533215,0.6016683084040739,6.9044089235867965,0.4633295247932429,21.91098884056177,4.374624727680108,9.53642521533215,0.6016683084040739,6.9044089235867965,0.4313590205564372,21.91098884056177,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0240,5.090087823397106,5.39700933513624,5.74553567822507,6.130006008621664,6.542518266647079,6.97471432934183,7.418866795705712,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_11,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416809283086505,0.5070176636993675,1.4862768103032182,3.3841856676152933,5.480792066371722,6.946580416897932,7.731965327760672,8.101693203427514,8.240748285027728,2.665292657121225,0.3959770996936639,0.0203378324208033,10.740594179630246,2.9956356549745062,6.989298350029078,0.57184385963243,3.112901796601367,6.764829280619436,0.5398721472803364,7.431878974844058,0.3729810233369776,22.226541326616708,3.112901796601367,6.764829280619436,0.5398721472803364,7.431878974844058,0.3729810233369776,22.226541326616708,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0240,3.3296230562548947,3.969098038703788,4.633777014306945,5.306694905258148,5.974250940683408,6.6264080911217285,7.256372273302393,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_12,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408806146388983,0.5125537338435749,1.5913945128083202,3.6983446757165455,5.897179726123808,7.368379302363877,8.139362044001595,8.498705381419313,8.633297689778404,2.912571376663072,0.397536012562421,0.0201022328254296,12.027584718062934,3.863542078857491,7.399784228887201,0.67170866323916,2.8428135380774653,6.159552243646353,0.475515802473096,6.390083224932816,0.3338076366614377,19.16835975757793,2.8428135380774653,6.159552243646353,0.475515802473096,6.390083224932816,0.3334865657452759,19.16835975757793,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0240,3.046427022111982,3.668112945945092,4.32060704518006,4.986541711295579,5.651665001066621,6.305205221289765,6.939649756009639,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_13,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1442123211933106,0.6010833170140156,1.6155909455675934,3.4124653110445085,5.394069581022516,6.776601608055068,7.515670298411401,7.863140025600514,7.993746935385206,2.733310082542501,0.4629862697829239,0.0187615042755063,10.909443116902947,2.9027288440775108,6.672453837332057,0.3196846356459136,2.681328448019219,5.860097920025966,0.4973528966610899,6.486769688717272,0.2338886422853244,21.473078750901703,2.681328448019219,5.860097920025966,0.4973528966610899,6.486769688717272,0.2336719148695861,21.473078750901703,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0240,5.014832575638367,5.324617050789591,5.676644935559276,6.064989233721458,6.481552171665509,6.917850206890089,7.366085557817605,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_14,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1466981125607852,0.628911065648775,1.6968045786141446,3.361730703466722,5.086233317530751,6.27624899380485,6.912309019027159,7.211598240650785,7.324150281383721,2.7534197759403045,0.4801911225203273,0.019188624831609,9.484091647914758,2.9799694678083,5.748787395536814,0.5459107003288574,3.0355969656245496,6.558232799393116,0.486346697227313,6.865650060754198,0.4295271592075601,18.90086991207877,3.0355969656245496,6.558232799393116,0.486346697227313,6.865650060754198,0.4290270536913135,18.90086991207877,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0240,4.764827271012502,5.092261629992155,5.456970509615855,5.854650582749291,6.278396597818123,6.720535914378152,7.173781295185066,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_15,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1456123227966973,0.6106784939606884,1.6351211808313475,3.2867837992413964,4.996744709151399,6.166797915242486,6.789116752107788,7.081279141159573,7.191048059822658,2.680893913068001,0.4692729329145554,0.019008028077685,9.253539920251423,2.831822215006361,5.321262384572526,0.3341057006559769,4.377448953911597,9.542292736562882,0.602003807472591,6.912160826575034,0.4643052047893251,21.919037745857004,4.377448953911597,9.542292736562882,0.602003807472591,6.912160826575034,0.4323545051859109,21.919037745857004,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0240,5.08695671984168,5.39395076768105,5.742561360908522,6.127117268231779,6.539713430733326,6.971991383934334,7.416224033774131,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_16,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416574200169034,0.50655915101421,1.4845195526836192,3.381447761959526,5.478212282159247,6.944530603053507,7.730292142824457,8.100215081914488,8.239346168916175,2.662754888875695,0.3956981465786095,0.020334376109661,10.733922577202152,2.989953168321163,6.98461672096528,0.5680514322102949,3.119744615743421,6.779565492471917,0.5409286215109698,7.447173587831179,0.3740451886727543,22.26628042705077,3.119744615743421,6.779565492471917,0.5409286215109698,7.447173587831179,0.3740451886727543,22.26628042705077,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0240,3.3286100193379635,3.9678540964757376,4.632382062755801,5.305213703028875,5.9727329957053,6.6248896210718105,7.254878771788561,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_17,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.14091811982338,0.5131841072220689,1.5932461022014168,3.699873147957781,5.897620647387552,7.367995812448058,8.138535951319493,8.49767180402923,8.632186274341064,2.9143763002524348,0.3979205227707429,0.0201091252198587,12.02902603902782,3.870018619127398,7.398912430159326,0.6743859578308948,2.8493781779837333,6.173587521695683,0.4764311554026306,6.403362830874091,0.3349187766905291,19.19983920963948,2.8493781779837333,6.173587521695683,0.4764311554026306,6.403362830874091,0.3345969459526157,19.19983920963948,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0240,3.043694084915728,3.664742930569346,4.316755845702909,4.98234616188435,5.647240477744982,6.30064610859101,6.93503139414379,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_18,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1442046861723486,0.601013662056864,1.615440640451824,3.413469991188635,5.397351253001819,6.781702715148118,7.521779355405493,7.869728092323535,8.000515697251409,2.7337195604651496,0.4629393879506888,0.018761530428174,10.91548132076406,2.9053179823494544,6.675246395052033,0.3195134818138273,2.6803618065599344,5.858205060421367,0.4973873835870557,6.485522549343375,0.2333079306306209,21.480534690511607,2.6803618065599344,5.858205060421367,0.4973873835870557,6.485522549343375,0.2330905077232297,21.480534690511607,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0240,5.006574924958458,5.316862703573511,5.669254953848011,6.057889189771439,6.474706047426819,6.911243259437351,7.359713604375456,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_19,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1467842495202619,0.6288339442098176,1.6948739894724083,3.3560503420804064,5.07773091193792,6.266367498231242,6.901832157846606,7.200869815629429,7.313331598816295,2.7490207542134977,0.4802182187101199,0.019212687212017,9.4636620721461,2.966340323182783,5.739454674538592,0.542767208129586,3.033505304525203,6.553178997703167,0.4860764260191632,6.867655424626047,0.4300779658953969,18.88751069074296,3.033505304525203,6.553178997703167,0.4860764260191632,6.867655424626047,0.4296772818143928,18.88751069074296,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0240,4.762250555468715,5.089522953348073,5.453994871790365,5.851421195229357,6.274932070872058,6.716873692352599,7.169966473545003,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_20,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1455621988250033,0.610593542452076,1.6339200135343224,3.2831636024674187,4.992793827132045,6.163751455592426,6.786839348326772,7.07942160012956,7.189357264486404,2.677959279247468,0.4692048928988787,0.0189939888702014,9.23916973587022,2.826760583760736,5.31013221745574,0.3319655255260285,4.374848539048911,9.53689906022158,0.6017002624830045,6.904932583286689,0.4633761100967989,21.912066973858742,4.374848539048911,9.53689906022158,0.6017002624830045,6.904932583286689,0.4314064873877812,21.912066973858742,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0240,5.090116273985652,5.397027422107476,5.7455454153854095,6.1300089746174535,6.5425157481610325,6.974707404098384,7.418856380434334,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_21,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416578123917227,0.5069945398173341,1.486294398238773,3.384233177552188,5.48083812788353,6.946616524858386,7.73199434470034,8.10171855868294,8.24077221566966,2.665334275737219,0.395950179702459,0.0203311665303125,10.740714485790466,2.995755642234159,6.989389585252487,0.5718993203528983,3.112962440402423,6.764958607456721,0.5398802770488619,7.432004656793319,0.3729927665124621,22.22680719140822,3.112962440402423,6.764958607456721,0.5398802770488619,7.432004656793319,0.3729927665124621,22.22680719140822,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0240,3.329725222432687,3.96921030910268,4.633896629129801,5.306819281586253,5.974377830370311,6.626535633377461,7.256498986276108,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_22,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.14092105125487,0.5126035180663888,1.5914400421540509,3.6984109313794784,5.89726452531164,7.368471117763024,8.139455829432487,8.498799704194303,8.633392153299498,2.9126292478087814,0.3975871655838243,0.0201138451248372,12.02779891921236,3.863758947228608,7.399841927553634,0.6717960101005676,2.842854917705416,6.159640814928093,0.4755216177096182,6.3902181529873365,0.3338224067486436,19.16854229104433,2.842854917705416,6.159640814928093,0.4755216177096182,6.3902181529873365,0.3335013946156498,19.16854229104433,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0240,3.0464042936518045,3.668089309251267,4.320582791742569,4.986517142904236,5.651640393497456,6.305180806141709,6.9396257149420855,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_23,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1441881319435222,0.6010419977966392,1.6155611704820645,3.4124793844509864,5.39411735098515,6.776664257407333,7.515738671752516,7.863210631995883,7.993818310867752,2.733308562913757,0.4629471524792081,0.0187552188184252,10.909676481528498,2.902777723540148,6.672634508173245,0.3196908266108331,2.681385319910478,5.8602254074483495,0.4973664600835664,6.4870108119064325,0.2339002118271466,21.47371542704948,2.681385319910478,5.8602254074483495,0.4973664600835664,6.4870108119064325,0.2336835790913058,21.47371542704948,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0240,5.01466513892576,5.324443091197457,5.676464648739397,6.06480385981564,6.481363440600241,6.917659967601191,7.365895556337652,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_24,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1467570949802739,0.629007825035494,1.696898909209979,3.361816646138867,5.086319703018063,6.276338392598961,6.912400570971554,7.211690906271115,7.324243380615668,2.7535074590092448,0.480283386413835,0.0192043182134969,9.484261778790776,2.9801844718777257,5.74873712874732,0.5459695850231157,3.0355135957306203,6.5580519521756,0.4863373909119678,6.865518087406582,0.4295115694862779,18.90060467884142,3.0355135957306203,6.5580519521756,0.4863373909119678,6.865518087406582,0.4290122483457601,18.90060467884142,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0240,4.764809202720855,5.092224165567996,5.456915697341628,5.854581085956291,6.278315271553487,6.720445513114737,7.173684303289442,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_25,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1455738751887002,0.6105990805514199,1.635008302239788,3.2866633146685063,4.99663937804278,6.1667095927561455,6.789038917439227,7.081206509786963,7.190977425378727,2.680772540638168,0.469202419981703,0.0189981862546777,9.253318225253569,2.831542796918361,5.321302907553909,0.3340396676162425,4.377581052628913,9.54258972273694,0.6020188208542552,6.912174561110931,0.4642987673916836,21.919594160096253,4.377581052628913,9.54258972273694,0.6020188208542552,6.912174561110931,0.4323450216299159,21.919594160096253,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0240,5.086965721446311,5.393957399661117,5.742565621890723,6.127119429510178,6.539713870194155,6.971990494184309,7.416222176162877,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_26,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0799659671752117,0.6132083875394617,2.0768591041754543,4.419553449799279,6.637799207398349,8.061996481135207,8.795538492151808,9.134945512246636,9.261696478835196,3.583937126725465,0.4329468197374336,0.0029581821558414,14.797879096554434,6.301144564322926,8.601113789764208,1.514668992041942,3.2693929337585863,7.0060314300093465,0.4742667230428659,4.016525612462445,0.228555252505875,19.357421780167225,0.4311013943543442,0.7602233063902646,-0.0933915848379823,-3.3630323899885832,-0.1072402050061797,-7.550292495815838,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0240,8.026364271629296,8.842608859060999,9.644538550941691,10.427819492751198,11.18779776585838,11.92023153703803,12.621709099069747,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_27,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177422764752491,0.9077259237476334,2.167720563831234,4.114313901470158,6.137697661523383,7.526688698360119,8.266142586861084,8.613379381231725,8.743848723097896,3.400192558550116,0.7135775172351422,0.0234302631788608,12.367860879607456,5.884967472038582,7.222604796130157,1.7218451011035778,2.4961933871836184,5.493003350553686,0.4992386774367237,6.490102806677407,0.1747335371028531,22.46574048465257,-2.4961933871836184,-5.493003350553686,-0.4992386774367237,-6.490102806677407,-0.1747335371028531,-22.46574048465257,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0240,9.546787846389966,10.312682985402368,11.051096453139232,11.76023985392652,12.438426074705715,13.084334485348323,13.697147414607045,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_28,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167562612856661,0.9108012996256152,2.235182091042536,4.293029682686318,6.360882878033851,7.748672013661255,8.47988996434862,8.821747486240497,8.949966747498449,3.5458006332130148,0.7137962990303213,0.0232003961189413,12.960137889456666,6.490982539044044,7.329709173298754,1.814721881589528,2.328078157471656,5.1229735249811,0.4655346229692289,6.052355141225487,0.1631173620075823,20.95108324674285,-2.3272680722206336,-5.121357931460724,-0.4655346229692289,-6.051545055974465,-0.1627568740708776,-20.95108324674285,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0240,9.488781492441424,10.26381136610886,11.009352724846694,11.724069045206264,12.406641627702802,13.0560371322778,13.671657451013678,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_29,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4356825212168088,1.3991089634635787,2.4979070405679886,3.842337085155095,5.3201742423303,6.397119075682633,6.987704936202697,7.26869712978691,7.37484628911781,3.3477654976785822,1.165439875616901,0.0577218385468858,7.832688315193114,5.956668584754675,3.520960231418204,1.5236943923079145,4.257302678944647,9.266318809426169,0.7524342263148825,10.276776489463709,0.4836855177899631,36.335197921020885,-3.2670395842041784,-7.291387606430511,-0.7524342263148825,-9.286513394723238,-0.0430184406304541,-36.335197921020885,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0240,13.946301901943317,14.428680010861065,14.901357576472767,15.36091224305554,15.803779519216206,16.227079732370232,16.62889179218761,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_30,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0799589837954886,0.6131662694522031,2.076329949108926,4.41710229265342,6.633074298793066,8.05579606920927,8.788594615741633,9.127662987175317,9.254288441364167,3.5822703645104497,0.4329190287290152,0.0029577425558972,14.781992104337707,6.294053980952779,8.592941989790589,1.5135297183525922,3.2696516793673647,7.006517861403969,0.474237243690661,4.01729302826758,0.2288080289543391,19.359707994321763,0.4311896178514244,0.7603344950109444,-0.0934551686125269,-3.3627083316738635,-0.1069658623799046,-7.55546366689961,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0240,8.022530663820705,8.839357651371436,9.64181480439252,10.425558471665756,11.185934847469293,11.918706859655057,12.620469422126869,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_31,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178229213424586,0.9078653349745816,2.167752197504866,4.113371250938078,6.135417839485943,7.523506640811941,8.262501209376198,8.609528182638059,8.739919691905051,3.3996795658639294,0.7137061296614602,0.0234510737385624,12.36047923978689,5.88141219436729,7.220848921773256,1.7218814605492294,2.494463007411062,5.489195559884426,0.4988926014822123,6.485603819268761,0.1746124105187741,22.45016706669956,-2.494463007411062,-5.489195559884426,-0.4988926014822123,-6.485603819268761,-0.1746124105187741,-22.45016706669956,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0240,9.541504330983562,10.307998352531566,11.04692651805793,11.756510493433511,12.435074044588966,13.08130674919662,13.694399849531484,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_32,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167310085016745,0.9107127285097364,2.234435781293109,4.290908245878929,6.357615108655453,7.7447587973409,8.475667091444905,8.817385965509928,8.945554156881286,3.544159186663656,0.7137408381214345,0.0231934748683523,12.947774365473403,6.484292288849439,7.323745120738585,1.8135703321463768,2.327952194522537,5.122687378078286,0.465500740955242,6.051958122164474,0.1631248372714501,20.94977579171753,-2.327055215029883,-5.120898487027112,-0.465500740955242,-6.05106114267182,-0.1627256813972189,-20.94977579171753,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0240,9.469332310700944,10.2460267922471,10.99304203463019,11.709068254435556,12.392809726350135,13.043252446349566,13.65981445340674,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_33,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4356349693396082,1.3990336952549631,2.49829617455768,3.84391438104022,5.322455086561607,6.399455493870026,6.989936904205581,7.270849776916775,7.3769642880603294,3.348932821130904,1.165355757015611,0.0577130118061176,7.840132672765955,5.9594801893691685,3.5254330634092974,1.5244960304417212,4.256973598816868,9.265549413505813,0.7523245329389558,10.275569862328515,0.4837447522129636,36.33135865286345,-3.2662717305726905,-7.289743142573039,-0.7523245329389558,-9.284867994084337,-0.0428824208443049,-36.33135865286345,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0240,13.945389687445989,14.42865414653278,14.902026085219656,15.362111955153251,15.8053757432184,16.22896354890216,16.630976506233925,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_34,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0799681225960759,0.6132322645737088,2.0769025277297097,4.419575921633625,6.637788815262353,8.061964149380925,8.795495041099935,9.134896987142934,9.261646071920463,3.583970045545515,0.4329639617483889,0.0029582006539573,14.79776791710845,6.301255051801832,8.601031288339671,1.514750823020365,3.269488842603894,7.006230793116678,0.4742748240535144,4.016438420819803,0.2285553176611678,19.35753653888882,0.431271235951379,0.7605853623622726,-0.0933686972769885,-3.362927356476736,-0.1072461204440573,-7.549446608816515,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0240,8.026343637210571,8.842584168815026,9.644509072540403,10.427784991262216,11.1877583950686,11.92018771957791,12.621661418417798,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_35,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177998137015387,0.9078033982326714,2.167790808638768,4.114365562630335,6.137722026667428,7.526693342543034,8.266136876199074,8.613368877012194,8.743836431042476,3.4002523622010266,0.7136546044315903,0.0234467805633058,12.36785908311677,5.885216516210719,7.222560313435294,1.7219875343858757,2.49616488531894,5.492940630718364,0.4992329770637879,6.490028701829243,0.1747315419723255,22.46548396787045,-2.49616488531894,-5.492940630718364,-0.4992329770637879,-6.490028701829243,-0.1747315419723255,-22.46548396787045,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0240,9.546784143782707,10.312675248849496,11.05108414096099,11.760222843271432,12.438404552901684,13.084308844534664,13.697118163825538,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_36,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167559410432108,0.9107912463466178,2.235154394791337,4.293003376230607,6.360860603913418,7.748649851224856,8.479866987399646,8.821723936953536,8.94994295353451,3.5457724613942965,0.7137900701705593,0.0232003958064679,12.960041970942548,6.4909010643523954,7.329645939653017,1.8146865696558985,2.3280688080482403,5.122952892401861,0.4655326961628425,6.052330377350979,0.163116814276137,20.95099796349805,-2.327258153580185,-5.121336163663495,-0.4655326961628425,-6.051519722882925,-0.1627560730378524,-20.95099796349805,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0240,9.48874079442461,10.263773337296794,11.0093161004037,11.724033114305907,12.406606037597369,13.056001751077345,13.671622275635205,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_37,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4356837929101342,1.3990958957336463,2.497881092392067,3.842295697885223,5.320114644294106,6.397046709892802,6.9876258878526665,7.268614988952543,7.374762994953651,3.3477300609945053,1.1654301840859953,0.0577239062450421,7.832451564069782,5.956575257944215,3.5208193538014005,1.52368013225923,4.257404814388389,9.266557604136343,0.7524682714627966,10.277150986090763,0.4836671334100895,36.33638950119788,-3.2672779002395766,-7.291897992903658,-0.7524682714627966,-9.287024071941948,-0.0430606566138675,-36.33638950119788,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0240,13.946453338494818,14.428811475555968,14.901473845858147,15.361016625740447,15.803874330733874,16.227166621091804,16.62897195887611,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_38,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0799492672958483,0.6131285696817519,2.0762890666731724,4.417084367637809,6.633077474010873,8.055811085040007,8.788615264426388,9.12768614703695,9.254312524536177,3.5822438242192765,0.432886914021096,0.0029571609378432,14.782099000607287,6.293943860992221,8.592998910551483,1.5134751136829432,3.26955069940319,7.006311573161996,0.4742321946487586,4.017438718567901,0.2288043161239416,19.35971212168723,0.4309597141814527,0.7598445034503326,-0.0934860023955888,-3.362897843008616,-0.1069656820527207,-7.55658016183897,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0240,8.022493735219467,8.839325152716485,9.641786459209277,10.425533972767823,11.185913863307226,11.918689046424651,12.620454436800593,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_39,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178167821118485,0.9078825782142216,2.167770660330768,4.11337173173124,6.135412329572616,7.523502523451453,8.262499032455727,8.609527140947252,8.739919109593707,3.399685383103828,0.7137182217365615,0.0234457934497087,12.3604730278359,5.881367440218341,7.220883188044967,1.7218813632555687,2.494528881204823,5.489340518593036,0.4989057762409647,6.485775091132541,0.1746170216843374,22.45075993084341,-2.494528881204823,-5.489340518593036,-0.4989057762409647,-6.485775091132541,-0.1746170216843374,-22.45075993084341,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0240,9.5414952918724,10.307992479465312,11.046923650768392,11.756510347984758,12.435076278917665,13.081311006427544,13.694405784490106,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_40,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167477192368583,0.9106987347313462,2.2343891438319248,4.290866498781304,6.357596236276444,7.744756979057272,8.47567420096766,8.817397198246221,8.945566925879941,3.544111889064466,0.7137355560665211,0.0232031458545536,12.947683598836491,6.48416966592519,7.323719670203125,1.8135189364894049,2.3280924227462543,5.122995913735385,0.4655287440775477,6.052322375366636,0.1631347329766809,20.951036995282227,-2.327195018029223,-5.121206174637974,-0.4655287440775477,-6.051424970649605,-0.1627353878776021,-20.951036995282227,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0240,9.469338248518977,10.246034986832552,10.993051874820448,11.709079294796224,12.392821628601876,13.043264945000208,13.6598273356614,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_41,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4356316952433295,1.3990253889380246,2.498277845212344,3.843893320364435,5.32244369087437,6.399453300239485,6.989939902681123,7.270855240674112,7.37697068008139,3.3489107165794563,1.165348711114292,0.0577125103937697,7.840099339987206,5.959393241896051,3.525469393790291,1.524482105023146,4.257003514518808,9.265619357015266,0.7523345048396028,10.27567955323563,0.4837393673866142,36.3317076693861,-3.26634153387722,-7.289892635922713,-0.7523345048396028,-9.285017572594043,-0.0428947860011073,-36.3317076693861,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0240,13.945432077580024,14.428676216439577,14.902031346727098,15.362103532489792,15.805356391713774,16.228935654759535,16.63094209513144,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_42,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0221636977735833,0.2592676684996409,1.2470897380849777,3.3033815440405783,5.490711728243846,6.962245016551557,7.734471357000354,8.094521867690885,8.22939230271849,2.529053300234746,0.168392421956658,0.0004496949133386,10.077152584335424,3.2019434771705786,6.068651773672449,0.4638707689329279,7.764503305826268,17.06093796407225,0.9333230163798438,6.891198509076219,1.0128752912824233,33.36979449632168,2.287817085730391,5.341448831653586,0.1602364610889641,-6.891198509076219,-1.0128752912824233,6.311765061140891,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0240,14.239300176187257,15.135650400943153,15.934233664589287,16.648166181442217,17.28791273374747,17.86213460030789,18.378228195238016,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_43,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0444648546745133,0.4569723008534725,1.6986295191547731,3.647577351295576,5.4958549748135965,6.6983219837610495,7.323507994267757,7.614169238595878,7.722942990306,2.9551106093344512,0.3082775132416618,0.0010876726282475,10.784733373842382,3.805956590158743,6.465681988445378,0.8245086269822309,6.1608376252121495,13.37160698383401,0.757108231593058,7.213532103312871,0.9782019313064934,28.458430882833127,-0.3048284503915913,-0.3975022679233497,-0.0909030523683415,-7.213532103312871,-0.9782019313064934,-1.221964055815853,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0240,13.904966394123049,14.705929135649647,15.449290055527296,16.135868169299663,16.76711397085756,17.345285489796748,17.873316232761876,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_44,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0226097996959242,0.2659716796535786,1.2990924857940644,3.377604415312469,5.520927952212854,6.947524569975975,7.694119045743892,8.041975802069576,8.172253451461595,2.60563524288111,0.1720875877061183,0.000458849404872,10.41054551413156,3.4020850492926464,6.15228396694048,0.5116324026482929,7.994388778046845,17.608921024253778,0.9442741781160562,6.575229211114401,1.006653469637914,33.647447596446504,2.9082740520822523,6.726310390281327,0.2273871156773167,-6.575229211114401,-1.006653469637914,8.55640041109062,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0240,13.9281853328792,14.834872143445889,15.645344353635966,16.37209969590047,17.0251318171395,17.612745695449256,18.142073449376767,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_45,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0221545490365817,0.259438233117316,1.248657000608259,3.3077156076493326,5.497115955173117,6.96958725955792,7.742180755051387,8.10237563093749,8.23729594137271,2.532434890475343,0.1684684677842854,0.0004490973254706,10.09616579806969,3.209578480378062,6.079467088169582,0.4659758292101092,7.766416793637171,17.065917331382757,0.9331657007807722,6.875962628024659,1.0125274955006665,33.366709273402165,2.305486614510457,5.38029864038656,0.1624529159825296,-6.875962628024659,-1.0125274955006665,6.391761805463672,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0240,14.089528060894764,15.003938601071232,15.818145082822891,16.54550080288203,17.19675429588757,17.78084548110277,18.305422599393427,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_46,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0444459173466355,0.4568575566227819,1.6981406609580625,3.64617796117346,5.494037808850097,6.696577931660265,7.321902922185294,7.612650585326153,7.72146009095665,2.9540138448061617,0.3081927595353076,0.0010865311535544,10.779030867963789,3.801309211770772,6.464355298590071,0.8234539506456771,6.159196151256058,13.366672071796332,0.7573826812121519,7.230193343006372,0.9791440861710552,28.47174307932812,-0.3246859173604883,-0.4413868788734854,-0.0931704144168042,-7.230193343006372,-0.9791440861710552,-1.29761526768534,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0240,13.913371397054023,14.71298077984104,15.455346222781609,16.141172378826084,16.771833534977603,17.34953728902063,17.877183720787983,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_47,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0226047079928833,0.2661738870234748,1.3005883986817912,3.38022608188581,5.523474697747978,6.949697171952388,7.696040311853669,8.043771097493236,8.174000378096501,2.608031813300084,0.1721779406403278,0.000458585484975,10.416417328460977,3.4061656153981312,6.156604474720087,0.5130944243323012,8.007723192134138,17.63816329526988,0.9459004629464745,6.591312058139851,1.0084429928104464,33.70426773819483,2.9079047096603814,6.7262213204204455,0.2270723387499126,-6.591312058139851,-1.0084429928104464,8.54528339131517,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0240,13.788963984373456,14.711650412435157,15.535875087146945,16.274436308274307,16.93761999700065,17.53399110274755,18.070903684099783,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_48,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0221512553151716,0.2592261065842415,1.2470418421661031,3.303351952497475,5.490702218776261,6.962248056923043,7.734480776926341,8.094534228870804,8.229405761313743,2.529016256951344,0.1683561208944225,0.0004491272840472,10.077135662847647,3.201855212121709,6.068661866521258,0.4638389706124767,7.764546478639006,17.061045349152497,0.9333226487748278,6.891202991464298,1.0128709163331884,33.36971153529597,2.287869256658807,5.341576674607673,0.160238530397106,-6.891202991464298,-1.0128709163331884,6.311767392075706,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0240,14.239202331933129,15.135550878421618,15.93413472683809,16.648069302020847,17.287818855087963,17.86204429982221,18.37814179619245,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_49,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0444556632513692,0.4569430716254888,1.698593727264606,3.647538444678568,5.495809024846446,6.6982702220517645,7.323453045921786,7.614112790925358,7.722885979943487,2.9550733329480687,0.308251859316842,0.0010871435519185,10.784510939302596,3.80584977405097,6.4655312026782985,0.8244607713959623,6.160979587039329,13.371932750416123,0.7571274842077028,7.21368381919781,0.9782033902201326,28.45887005873607,-0.3047630767087242,-0.3973514112103163,-0.0909052993545378,-7.21368381919781,-0.9782033902201326,-1.2222773659423516,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0240,13.904287538343596,14.7053046881008,15.44871500792043,16.13533812073209,16.766624947706646,17.34483385835307,17.872898658185893,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_50,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0226174229309983,0.2659871774670956,1.2990667878440418,3.3775364497694884,5.520848685257989,6.947446212040717,7.694042729377482,8.041900708509573,8.172178854301961,2.6055777719496045,0.1721047876552776,0.0004592083772613,10.41029393532089,3.4018992150079983,6.15218387054338,0.5116106649922415,7.994220732331893,17.608550146793394,0.944254796608966,6.575035469685568,1.0066327507889912,33.646782204646286,2.9082690578107235,6.726288180611862,0.2273905139150664,-6.575035469685568,-1.0066327507889912,8.556532310359799,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0240,13.928581758898058,14.83521792992708,15.645646892398355,16.372365524896328,17.025366519204137,17.61295395726449,18.1422591754352,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_51,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0221495416263417,0.2594215589437563,1.2486415530884156,3.3077219207187656,5.497142712751299,6.969625742207747,7.742224930548131,8.102422376656266,8.237343637807655,2.5324329676821846,0.1684540323748315,0.0004488618748167,10.096186992223329,3.2096002492514413,6.079468841107622,0.4659757839214859,7.766403520088137,17.06588472009871,0.933167502904389,6.87602817156987,1.0125272053348915,33.36673218528443,2.305413315658574,5.38013442259495,0.162443180832189,-6.87602817156987,-1.0125272053348915,6.391380912757427,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0240,14.08930724757255,15.003734842830475,15.81795780175838,16.545328935624376,17.19659659519194,17.780700672650468,18.30528945999201,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_52,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0444464672344313,0.4568617822626844,1.6981517609381709,3.646199719472516,5.494061678330244,6.696598321501612,7.321920128026027,7.612666014896191,7.721474809427685,2.954032521769154,0.3081960705859548,0.001086503900752,10.778977043893049,3.8013777122188346,6.464303783789278,0.8235118619001756,6.1590698614425925,13.36638173042254,0.7573712029144829,7.230126642782153,0.979139334662288,28.471434983412564,-0.3247846944654319,-0.441616644288302,-0.0931763583464888,-7.230126642782153,-0.979139334662288,-1.2977296607214466,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0240,13.914087627560038,14.713586138518965,15.455857856427851,16.14160532299054,16.772200702047495,17.349849597835867,17.877450304395218,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0240_53,RSM0240.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0226080433216154,0.2661927098843687,1.3006017072035885,3.380209301549059,5.523443202173874,6.949663313726433,7.6960070464327615,8.043738480353142,8.17396806073861,2.608024475486502,0.1721930540749437,0.0004587060019817,10.416215919785971,3.406163997613678,6.156473760595215,0.5131109854147251,8.00816210402369,17.639137821099236,0.945949417481026,6.591525834746686,1.008491582148561,33.706010768936906,2.908218369211184,6.72692794590882,0.227103734444881,-6.591525834746686,-1.008491582148561,8.546411862671828,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0240,13.78920788777845,14.711861755213166,15.5360605252077,16.27460075866991,16.937767144714268,17.534123756976914,18.071024026025743,"COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O].[Cu]pts,bex.cat0","linker COP(=O)(c1ccc(cc1)P(=O)(OC)[O])[O], nodes [Cu], topology pts,bex"
RSM0083_0,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0099744907368144,0.2784421251986138,1.4307095736390048,3.287523952137539,4.923316804307078,5.93033945647353,6.439644608280587,6.673516615502908,6.760591286225536,2.642081212654196,0.1642508731712981,2.748101263820228e-05,7.593484085362816,3.255107249065846,4.391070764171347,0.6867371446026944,21.052841600696222,47.65198464634851,2.0,4.947158399303778,1.5164854876901812,65.73579199651888,-21.052841600696222,-47.65198464634851,-2.0,4.947158399303778,1.5164854876901812,-65.73579199651888,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-23.0,-51.5353,-2.0,3.0,0.6499999999999999,-66.0,RSM0083,18.176961157508075,18.744967651704744,19.213139359571592,19.602112260378835,19.927804618161066,20.202561021275777,20.436011381255955,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_1,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0099767348777443,0.2784701697283758,1.43077983654656,3.287615790639192,4.923409597289532,5.930428677646534,6.439731316304379,6.67360205619331,6.76067623981369,2.6421689409143263,0.1642705346138363,2.749327298022916e-05,7.593817411224699,3.255359805600755,4.391142954100334,0.6868048435127652,21.052823389451973,47.65194832675353,2.0,4.947176610548027,1.5164935916938718,65.73588305274014,-21.052823389451973,-47.65194832675353,-2.0,4.947176610548027,1.5164935916938718,-65.73588305274014,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-23.0,-51.5353,-2.0,3.0,0.6499999999999999,-66.0,RSM0083,18.18034359166089,18.747973245160765,19.21581362973721,19.604497971677592,19.929939979024624,20.2044793021109,20.43774116904279,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_2,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400720744097958,0.492220715298804,1.3617505933379437,2.894010786070847,4.431897677351746,5.444865646227457,5.971968026801655,6.216861983063078,6.308465350688271,2.333239060971323,0.3878186775697883,0.0199126944622758,8.351570359841954,2.1135247354340345,5.636579269518094,0.4611736053480706,5.37101141354015,11.577250474693276,0.83953973491962,12.087329292897111,0.8159630760510791,31.91272437667264,5.37101141354015,11.577250474693276,0.83953973491962,12.087329292897111,0.8159630760510791,31.91272437667264,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0083,3.4931190751167907,4.164515271312535,4.853338062822151,5.543263786066428,6.221754551633317,6.879944977696297,7.512152078016189,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_3,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140082572894122,0.4922593506499561,1.3618713065511914,2.8936905804226063,4.430938272256428,5.443516230814052,5.970435237422098,6.215249051537917,6.3068232860683855,2.3331308991475552,0.3878426879533033,0.0199156607882545,8.346768109985742,2.112882884931122,5.633669979505567,0.4612628389632406,5.365389467698899,11.56564339237383,0.8391566594587178,12.078642743368643,0.8141795766409143,31.91401882361575,5.365389467698899,11.56564339237383,0.8391566594587178,12.078642743368643,0.8141795766409143,31.91401882361575,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0083,3.4937510422406417,4.165320236793846,4.854309100433024,5.5443853920467765,6.223005325426685,6.881300497307734,7.513587281014409,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_4,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400774404381999,0.4924006641520946,1.3625239611577644,2.895303728517404,4.433472252465661,5.44658494727742,5.973757118478583,6.2186827114133045,6.31029781199584,2.334387795264277,0.3879225756172838,0.0199130989905843,8.353709784515129,2.115697062753921,5.638272122034532,0.463087924455653,5.358945756378751,11.55177920103696,0.8381739573845087,12.06433741545482,0.8131546914925897,31.87744823502186,5.358945756378751,11.55177920103696,0.8381739573845087,12.06433741545482,0.8131546914925897,31.87744823502186,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0083,3.493452432665081,4.164928621367697,4.853821238792472,5.543804301249017,6.222339306439482,6.880561393609474,7.512788756177853,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_5,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400949648307055,0.4924380162692257,1.3625119414395537,2.894670416715088,4.4320768846273655,5.444728604933252,5.971681452284826,6.21651027670323,6.308090029030528,2.334022081573209,0.387952722537079,0.019918020996577,8.348650348523112,2.114670554285629,5.635329975932871,0.462999222376076,5.360132869613335,11.554451030639916,0.8384691148743109,12.06788578860782,0.813129536588601,31.89217369313508,5.360132869613335,11.554451030639916,0.8384691148743109,12.06788578860782,0.813129536588601,31.89217369313508,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0083,3.49484339267975,4.166410573486064,4.855387805303506,5.545443396319371,6.224035181155739,6.882296661085215,7.514546017871567,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_6,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0985030448514985,0.7027390653731425,2.116195940743094,3.989231094742075,5.539106044082189,6.470162889336836,6.936029477138086,7.148951388927056,7.22807242241573,3.358441629384797,0.5069189671729961,0.0035244735766785,11.149651251902927,5.244585422052216,6.846709807556792,1.5908599235097267,0.585155878766601,1.174764931856436,0.0075259260708095,0.6453632873330776,0.2462832546683694,3.0762979152491963,0.5098966180585053,1.0091530151867143,-0.0075259260708095,0.4496892094920286,0.2410151064188027,-3.0762979152491963,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0083,7.4713890348703265,8.32037795077156,9.15504912012839,9.969773036326758,10.759372551198789,11.519456276296795,12.246628577119104,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_7,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0984988332346464,0.7026894375294528,2.115835497913472,3.9882596565600856,5.537568808771736,6.468262480149581,6.933941038206225,7.1467756763024735,7.225864071783666,3.3576864193519023,0.5068878073164352,0.0035250100612779,11.145439910953968,5.241695289763194,6.844645503629055,1.590333778087069,0.5856651057574729,1.1757259382639498,0.00747299696078,0.6454490814437132,0.2466091027606129,3.0777854680029653,0.5109351361496727,1.011278754183566,-0.00747299696078,0.4511511604634324,0.2413780048880669,-3.0777854680029653,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0083,7.476116998327194,8.325154731413079,9.15981345276654,9.974487237056156,10.764011464800284,11.524001663899044,12.25106649668077,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_8,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1612974337993072,0.7846877033521802,1.8768797946155964,3.3739777283311305,4.772961173314912,5.6809373906603335,6.152462977470476,6.371551043206369,6.4535176469810125,2.847423127467558,0.6082088865583,0.0107549930582962,7.482689001629273,4.124780183778049,4.252437376359363,1.2158670804099838,1.9434890402923584,3.996969266978597,0.0939201108796368,2.453673057041782,0.6496616639716539,10.932611025763435,1.1382750816558074,2.225054079873017,-0.0671226808476734,0.3199206195388042,0.5845875221067073,-10.182282984868458,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0083,7.115839232218709,7.9402948502717425,8.753075856085841,9.547040734782094,10.316999101145663,11.05913684753894,11.770712513287494,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_9,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1612817916022038,0.7844978389569474,1.8755175361071776,3.3710153792821806,4.769349877614465,5.677236289175723,6.148790551471371,6.367906605368246,6.449885881110519,2.84491501870796,0.6080994793421224,0.0107551186797653,7.475214574177325,4.1157735380675655,4.2516763347238005,1.2146137157472237,1.942483279412737,3.994599334335075,0.0938013955651432,2.454132374601663,0.6498280905830938,10.931848617702943,1.13711491783476,2.222344375527934,-0.0672722767504521,0.3203809562768862,0.5848303416578607,-10.189033290891595,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0083,7.119948655578126,7.945113565856991,8.758429623221668,9.55278285571295,10.323006599185398,11.065307535662454,11.776962515232531,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_10,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0985074348313509,0.7027585990644147,2.116252027651527,3.989326426979662,5.539209330533929,6.4702617170996,6.936123945809601,7.149043445347991,7.228163518959971,3.358527281111834,0.5069345223258847,0.0035246461501716,11.150328217554792,5.244868409225528,6.846913169624712,1.590898744820766,0.5853026471076601,1.1749975866580866,0.0074676796528886,0.6450440843307693,0.2464577786137425,3.075866828596073,0.5106258505787735,1.0106674127028523,-0.0074676796528886,0.4508844133556643,0.2412304028567205,-3.075866828596073,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0083,7.467957986338321,8.317018135651724,9.1517943471233,9.9666417777198,10.756374067363708,11.516594140371057,12.243902756256391,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_11,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0984699126485727,0.7026391417125761,2.11587145356594,3.9884064223034095,5.537787875607675,6.468522096850012,6.934220896948021,7.14706483738665,7.226156701304592,3.357799652329496,0.5068343191221223,0.0035222783279245,11.146577680589768,5.242017667998201,6.845242073502417,1.5904265028887647,0.5860043782819069,1.176434991639026,0.0075044469137108,0.6460399535915937,0.2467011103722407,3.080110829683752,0.5109599091447983,1.0112957349904232,-0.0075044469137108,0.4509243338351114,0.2414479975326431,-3.080110829683752,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0083,7.476708565829576,8.3256925288806,9.160284991024293,9.974888814959815,10.7643446790632,11.524271111573311,12.251278281509135,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_12,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.161293922274155,0.7847037611431463,1.876925071243988,3.3740278843821616,4.773004805507859,5.680978731802726,6.152504287456926,6.371592632398703,6.453559389248047,2.847474559066106,0.6082189520882362,0.0107529712568902,7.483409875525063,4.124743442866383,4.252896265074974,1.2159100360220554,1.9429709539896844,3.99576493758804,0.0938104821819239,2.452857977627697,0.6497306836197355,10.92942312058911,1.1385310398467667,2.225553075641014,-0.0670775006466596,0.3212147285532148,0.5847316706307705,-10.18089963760171,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0083,7.121020454121112,7.944673881261209,8.756794896315345,9.550222835949745,10.319748626071156,11.06154035752863,11.772840333852129,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_13,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.161322314443139,0.7846016950731133,1.8757344160563751,3.3714732824224227,4.7700543929340204,5.678104442131957,6.149744280994336,6.368900188882021,6.450894386815401,2.8452834914750698,0.6081904981083361,0.0107600386459443,7.477503714537211,4.116804449740278,4.252502552976246,1.214857754259019,1.942510819628756,3.994647799961804,0.0937561882905878,2.4533971170420834,0.649860091578892,10.929979039449252,1.1378173861180862,2.223878055463032,-0.0671824984115461,0.3213336550957787,0.5848951020224565,-10.185915722836082,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0083,7.117207096108548,7.94273802976644,8.756335398859644,9.550910683769764,10.321314255936382,11.06376431819296,11.775545592981045,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_14,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.098484026713427,0.7026783269864746,2.116100732637734,3.9890978871512335,5.538920957836687,6.46993693484774,6.935780720914214,7.1486917470615134,7.227808665742708,3.358323558675708,0.506867261379195,0.0035231114544413,11.149628285779665,5.244051091316012,6.846683160556407,1.5906907235360823,0.5854400383455944,1.1752887860411705,0.0074843556964862,0.6453148839174845,0.2464876501328778,3.076887305657697,0.510596481380732,1.0105916470750285,-0.0074843556964862,0.4507216358088419,0.2412486011453375,-3.076887305657697,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0083,7.468867498425465,8.317901598305422,9.152646917692772,9.967460223600783,10.757156354636235,11.517339199863548,12.244610311537112,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_15,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0985017006382389,0.7027138793614827,2.115944240915189,3.988504457066937,5.537955036126791,6.468750827501496,6.934485321458925,7.147346554430492,7.226444992622468,3.357882439360601,0.5069042016978325,0.0035250773922788,11.146911251755592,5.242394707970376,6.845379866559215,1.5905006044383605,0.5858397275174128,1.1760883095683687,0.0074866868352556,0.6457332221994578,0.2466611409291443,3.078932374292177,0.5109728591648562,1.011339872681414,-0.0074866868352556,0.451079364482811,0.2414204601444654,-3.078932374292177,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0083,7.475884965984198,8.32492200145618,9.15957005460618,9.974228424702988,10.763735985374216,11.52371046161913,12.250761772307149,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_16,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1612896414471651,0.7846492756958889,1.8766717233649288,3.373540654451731,4.772420158834379,5.680374016856881,6.151898727624137,6.370988534642329,6.452956116530438,2.847052669652143,0.6081834948951876,0.0107539166021494,7.482195012029907,4.123239511158441,4.252676310374984,1.2156919119751095,1.9426075092571573,3.9949366088807072,0.0937779529310254,2.452933219021788,0.6497432263642163,10.928877342276468,1.1381045986599985,2.2245861199603083,-0.0671226291884062,0.3212426658552464,0.5847650424060641,-10.18252827748313,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0083,7.120750547235772,7.944624633972538,8.756937454166902,9.550525659982828,10.320180346859075,11.062071793156376,11.773445647312146,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_17,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1612836081007826,0.7845456631698525,1.875890306242035,3.371934314181,4.770674934881999,5.67878081150648,6.150438849436019,6.369601106142323,6.451597362368567,2.8456537388318885,0.6081256169226995,0.0107546302151983,7.478872715071189,4.118074632818631,4.252862415194485,1.214976854632111,1.942719746960016,3.9951336100819534,0.0937652955241407,2.453081975335967,0.6498392362757428,10.929564271785663,1.1382668671725935,2.224893216559984,-0.0671252804333436,0.3215444652524751,0.5848695297861143,-10.183643849243342,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0083,7.117948361349248,7.943277101198253,8.756736299449122,9.551217891333746,10.321558530779804,11.063966787272411,11.775720633151831,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_18,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0985294895131448,0.7028138490425242,2.116242646218713,3.989198709945657,5.539022388965649,6.4700575665054325,6.935915822383194,7.148834460495808,7.227954360945555,3.358434963514655,0.5069867174276513,0.0035264332847702,11.149533056438134,5.244579280973348,6.846572061998361,1.5909202172853427,0.5853074293657947,1.175062933973298,0.0075218108627708,0.6454819162679619,0.2463584107000832,3.076973364084392,0.5100893207380859,1.009541574596376,-0.0075218108627708,0.4499148338359188,0.2410931430961436,-3.076973364084392,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0083,7.47153244409072,8.32048557136748,9.155125146890338,9.969821183969142,10.759396280858958,11.519458852506114,12.246613058125666,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_19,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0984668749581443,0.7026035891821434,2.1158129317077514,3.988366229517217,5.537752044373271,6.46847714811933,6.934167781320527,7.147007191255661,7.226097245205056,3.3577527701110976,0.5068081906619273,0.0035226361946454,11.146264784938214,5.241910979713553,6.844987269309687,1.5903003169787964,0.5857837415450042,1.1759835707995057,0.0074933956501164,0.6457309067459355,0.2466236481435587,3.078786620727349,0.5108497850438402,1.0110875029529562,-0.0074933956501164,0.4509026198429089,0.2413782711884772,-3.078786620727349,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0083,7.475475888591913,8.324580887373394,9.159304213388545,9.974037797920472,10.763616063374648,11.523654322750811,12.250761452612885,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_20,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1612874981698171,0.7846789534342836,1.876841430749022,3.373943713373568,4.7730070455867954,5.68105732971726,6.152625268593062,6.371733634902631,6.453707917113947,2.8473762160634943,0.6082004606881769,0.0107523338669428,7.483328406700372,4.124411353244859,4.253016511042048,1.2158089999972796,1.9431072800736204,3.996095168141432,0.0938688096899521,2.453478783912944,0.6496848794800866,10.931320416546336,1.13807416855204,2.2245779445163936,-0.0671378126143639,0.3202961983434522,0.5846449876240097,-10.182852498429869,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0083,7.117556379363808,7.941919447784398,8.754622927175102,9.548521948932413,10.31842315809828,11.060509976590998,11.77203901672117,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_21,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.161275861254998,0.7844777284869157,1.875593900319943,3.371256962129612,4.769634702644754,5.677502790185542,6.149037050970118,6.368141794903549,6.450116538976792,2.8451115794436586,0.6080797570198837,0.0107551253599963,7.47586702148382,4.11654263563426,4.251661566266496,1.2146767458074164,1.9425957062348769,3.99484016638509,0.0937855920704785,2.4537895966691883,0.6498544628322137,10.93119054572778,1.1375680333798233,2.223334910828556,-0.0672199425005321,0.3208691728911292,0.5848686896221276,-10.187352357769283,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0083,7.118838873914892,7.944198474698816,8.757690282421324,9.552197523639476,10.322552837513363,11.064963831163665,11.776709288300784,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_22,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175378731277583,0.8948759169041713,2.0897044333681203,3.73962130760533,5.2379356429351445,6.187071471150486,6.673654001503886,6.898397757578279,6.982271395966739,3.1637143284514675,0.7063849818853971,0.0231517470572672,10.0949975184588,4.850285934475935,6.167793927411361,1.5818269526939543,1.6665821439016324,3.5710263533881395,0.2398407917458784,3.58530847786866,0.2919275695127044,13.129726554425732,-0.7318257735571517,-1.7067949861916238,-0.2398407917458784,-2.65055210752418,0.1240390152905896,-13.129726554425732,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0083,9.388912857287924,10.191086124881211,10.96064081474127,11.695894546587589,12.39562749760707,13.05911482176837,13.686140068512398,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_23,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175469433725033,0.8948496843894734,2.089491903194004,3.738890095528711,5.236430037099471,6.184965013435308,6.671215587633451,6.895801572139192,6.979615682155647,3.1632070535399506,0.7063767909787997,0.0231546301521873,10.089788689915387,4.8483656464752745,6.164959557953546,1.5815610052796272,1.666268160191552,3.570282587077296,0.2397267551229118,3.584082201174847,0.2920016654297809,13.125875903416,-0.7309993910375664,-1.705029317315044,-0.2397267551229118,-2.6488134320208614,0.1241929368437428,-13.125875903416,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0083,9.387331703299532,10.189762508973462,10.959592202823544,11.695115197647452,12.395098405371252,13.058810325902332,13.686032061987287,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_24,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175265438407541,0.8948443779066488,2.0897245608513995,3.7398059585348777,5.2382799421250175,6.187511559576072,6.6741409274614725,6.898905760859889,6.982787173500466,3.1638375638206915,0.7063559191487984,0.0231511080239924,10.096532463701344,4.8502815891651485,6.169293968960983,1.581850894246161,1.6661270737198342,3.5699832259499416,0.2397093107504197,3.5838015597231925,0.2919715901482891,13.124821583607568,-0.7309660337843634,-1.7049448059546355,-0.2397093107504197,-2.648640519787722,0.1241750726229954,-13.124821583607568,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0083,9.387816680655584,10.190096227971472,10.959740759338542,11.69506960456522,12.394865380697915,13.058405708801155,13.68547630928412,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_25,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175610787618157,0.8948745926880846,2.0895573585422964,3.739104062937011,5.236811381670101,6.185455537936998,6.671761667890593,6.89637310090647,6.980196666657693,3.1633622203386795,0.7064004862627095,0.0231574704130229,10.091401711864,4.848619513071228,6.166554516180112,1.581664155192817,1.6668527221831546,3.571548403917905,0.2398237431566429,3.5854426674362974,0.2920799429527982,13.130738474048632,-0.7313847093832747,-1.7058977725904647,-0.2398237431566429,-2.6499746546364187,0.1242033227431483,-13.130738474048632,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0083,9.387759821573736,10.19000768820861,10.95969259477666,11.69509961354849,12.3949895770352,13.058626757660408,13.685789105799673,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_26,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0619606538745515,0.378835180069758,1.2784115773588605,2.859155123880877,4.434448797533734,5.467742261614828,6.004498351621918,6.25371019778848,6.346904702649421,2.282074388486273,0.2741584406930169,0.0036741065864253,7.62536231753391,2.307330598410047,4.757973016922534,0.3484945702898782,3.70577913120874,8.08868228033483,0.349461384600447,3.5018194469183044,0.6137196223796689,14.873071290960368,0.231262492727152,0.8252673995047043,0.0254949605363044,-3.5018194469183044,-0.6137196223796689,3.5342464487153764,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,13.635365682263624,14.546776784821615,15.367798053902158,16.106821841756364,16.771979304414643,17.370882965349388,17.91052192356008,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_27,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.079508477430979,0.3490489326010027,0.984081762961683,2.2191075749324463,3.5608740726690025,4.476713179242667,4.960558850770925,5.186811544635035,5.271664226871555,1.75135316939206,0.2704110695863301,0.0065347438812738,5.986352291534236,1.215704033641065,3.925996254658871,0.0682894116260597,1.6703911742467925,3.593613471334797,0.1052343654034438,1.1466367047252672,0.3729587877959436,6.687595048821026,0.1219974037363691,0.4645761839954028,0.0654693086901906,-1.1466367047252672,-0.3729587877959436,5.295818063857164,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,16.426177737323584,16.962982508964277,17.440805993279884,17.87166656625443,18.264184651225115,18.62457654276477,18.957368141980943,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_28,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0619719441100583,0.3788646412810892,1.2789030254446303,2.860685935371952,4.436742665948461,5.470406188683979,6.007321875703031,6.256601121182739,6.349819799034262,2.283253438026972,0.2741770625918071,0.0036755014311856,7.624029371404615,2.307785724584464,4.760373997735923,0.3506722312296184,3.7201201369793497,8.120377168411695,0.3508913706895983,3.5132170396603417,0.6155975120128404,14.927246670815626,0.2357995704926314,0.836314829840082,0.025862887164876,-3.5132170396603417,-0.6155975120128404,3.551249747450344,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,13.476081417353496,14.405208040193182,15.241673949682792,15.994119501629218,16.6709310882182,17.279962018625707,17.82841802891237,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_29,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0795081716746548,0.3490122965264269,0.9838847275303476,2.218714238766966,3.560391991288581,4.4762401706090245,4.9601114264747,5.186380704513379,5.271240340978622,1.751020855656755,0.2703924744734809,0.0065347593600643,5.9826648217769485,1.2148827440100771,3.92508713951964,0.068359196262195,1.6586874693453355,3.5673751511988407,0.1038417397530359,1.1367690206236274,0.3720062447231378,6.644892274754995,0.1166687620087838,0.4522511625964823,0.0652398060902135,-1.1367690206236274,-0.3720062447231378,5.293824596556212,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,16.40255256307917,16.942905243333083,17.423619986825354,17.85685809442045,18.25134748038119,18.613386044844727,18.94756235619698,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_30,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0619686557047544,0.378824521874579,1.2784737766755374,2.8594262229938248,4.434819672479889,5.468127903944048,6.004879636111654,6.254087095351465,6.347279604588329,2.2822802083974554,0.274154303842467,0.0036754227037334,7.625857589929214,2.3075365807899995,4.758536646471679,0.3486396128780689,3.707258918976569,8.091974112052661,0.3497257745629945,3.5048102005554296,0.6138058391382942,14.879733917317884,0.2305756568626178,0.8237709090709326,0.0253060898026423,-3.5048102005554296,-0.6138058391382942,3.525044950705561,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,13.642683299856742,14.553109035308978,15.373326582713691,16.11168614782184,16.776288243783394,17.374722849434075,17.913962193363062,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_31,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0794855431471068,0.3490202551964112,0.9841327508206966,2.2191502440443927,3.5607726715172445,4.476487512226357,4.960265081990521,5.186485830766279,5.271326544905917,1.7514212488962055,0.2703773918162474,0.0065309737575263,5.987165414522556,1.2158330392809238,3.926534905404296,0.0682626372965827,1.6714242499184655,3.5959109315130164,0.1052766995508574,1.146290006222345,0.3731213704428101,6.690666069466822,0.1232197902166956,0.4673853693770048,0.0656417804620151,-1.146290006222345,-0.3731213704428101,5.303443901357341,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,16.45555904116678,16.988908243556363,17.463920967460034,17.89246491022043,18.28304830422561,18.64180352919968,18.97319343633851,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_32,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0619737806083687,0.3788500942344718,1.27882923123887,2.8605018441465666,4.43647567391619,5.470099240571348,6.006997793080224,6.256269810118147,6.349485894980564,2.2831072016645546,0.2741687713529215,0.0036759387934576,7.624382591906976,2.307632030011565,4.76054705527106,0.3503872058070699,3.7195636317878327,8.119174549753737,0.3509330385786351,3.514199129886684,0.6154244679762672,14.925933046105447,0.2347741820330941,0.8339358454185535,0.0256705627376436,-3.514199129886684,-0.6154244679762672,3.5417463916707432,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,13.455983083269588,14.387348379071256,15.225738420354448,15.979842377572634,16.658088111044275,17.268363825707574,17.817904456550867,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_33,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0795319201382069,0.3490913061062769,0.9842829666004834,2.219698396777525,3.5617898625069526,4.477828256900061,4.961777226336281,5.188078175245292,5.272948971308531,1.7518098519179577,0.2704503130467865,0.0065385832391662,5.98619603390781,1.2162882207912633,3.926870180229467,0.0685010171229094,1.6580295211858105,3.565912425245512,0.1037220281546083,1.1353942585440036,0.3719684409081694,6.641896105076919,0.1170105566549485,0.4529980778527464,0.0653294078302258,-1.1353942585440036,-0.3719684409081694,5.298154393723533,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,16.387233936829414,16.92954636278417,17.411844475577055,17.846382348349668,18.24195415576981,18.60490586883385,18.93986145924572,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_34,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0619621606460446,0.3788413131960063,1.278692476079288,2.8600025553354738,4.435677756903094,5.469143430598181,6.005970768879408,6.255212117665283,6.348417116703893,2.282735794094368,0.2741578059273552,0.0036744282167381,7.626741860324545,2.3082584114714093,4.759262199741487,0.3490560658521374,3.710381984217977,8.09888585168299,0.3500480716370263,3.507394768163867,0.614196329751183,14.89155055306293,0.2315434890418203,0.8261214676929258,0.0253734020067638,-3.507394768163867,-0.614196329751183,3.5279371160037423,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,13.631823356702698,14.543659605043995,15.365069007611888,16.10443711992656,16.76989492540358,17.36905800600822,17.908919850459114,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_35,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.079500643719201,0.3490356447979163,0.9840364711185312,2.218801942461984,3.560207264443888,4.475805606943879,4.959530369486576,5.185728296912145,5.270560745339473,1.751163376148544,0.2703979402199331,0.0065334610232211,5.985846359768161,1.2154399263213496,3.9259247766823377,0.0681795763014711,1.670173000785918,3.5931148396378525,0.1051271866538291,1.1451438320294578,0.3730097849251269,6.685995634632821,0.1227632430721421,0.4663147990393686,0.0656286460945575,-1.1451438320294578,-0.3730097849251269,5.303546715058315,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,16.460635476891934,16.993160479793556,17.467499137433055,17.895488417341657,18.28561260715545,18.64398552857305,18.97505558421329,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_36,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0619700650848321,0.3788581565037837,1.2787624403089046,2.8602322370771085,4.43602118273964,5.469531919213175,6.006373700764575,6.255619707807298,6.348826117711637,2.282910434042877,0.2741747304744243,0.0036751564489512,7.624333543781044,2.3075942101979243,4.760093419930445,0.3501276981901308,3.7169456803348497,8.113364283994896,0.3506704870240087,3.512308992895324,0.6151101531219254,14.91629019037324,0.2336800856816187,0.8313415753612293,0.0255795859299406,-3.512308992895324,-0.6151101531219254,3.538108652080855,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,13.480427943911526,14.409150059373964,15.24526087514792,15.99739401610026,16.673929753356575,17.28271612906518,17.830954451209855,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_37,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0795053479370687,0.3490429436530045,0.984304747949127,2.2199190814613563,3.562195306932693,4.478340886082294,4.96234136411775,5.188665316232638,5.273544570689718,1.751957341565741,0.2704030923503222,0.0065342545106848,5.987131035682862,1.216603010261862,3.927208870025337,0.0685554060232777,1.6594331368130455,3.5690681159120348,0.1038860935240051,1.136447561913842,0.3720747148950771,6.646887602797775,0.117789412244213,0.4547837722311018,0.0653731968624004,-1.136447561913842,-0.3720747148950771,5.298936219641613,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,16.38737790574856,16.929701387839295,17.412024483794934,17.846590380096142,18.24218813485491,18.605161596939315,18.940134139621264,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_38,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0619660027181832,0.3788295623747397,1.2784309942908547,2.8593312024209405,4.434792577200432,5.4681891158542495,6.004996012236076,6.25423079419421,6.347433769407473,2.282188612345619,0.2741574224417043,0.0036749430154363,7.62574430298635,2.30738351361717,4.758648006183167,0.3486962383350572,3.7076256336701454,8.092733958430376,0.3496547116314684,3.503704729075574,0.6139877566287171,14.880466127469278,0.2313950257406479,0.8256965027477783,0.0254901130743214,-3.503704729075574,-0.6139877566287171,3.5347051779691347,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,13.62546127101632,14.538181570774784,15.36029753645985,16.100239211775417,16.766169510142426,17.365727072606955,17.905922229920176,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_39,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0794851517255973,0.3490124916663893,0.9841463074266508,2.219379041203548,3.5612733711585287,4.47716008549498,4.9610215798388895,5.187279823202656,5.27213430697049,1.7515575517980473,0.270372841875825,0.0065309260532593,5.987803819899473,1.2162938406271295,3.926775648053156,0.0682742995826529,1.6690131328863516,3.590488903922908,0.1050737546650126,1.1458448040397575,0.3728837986748418,6.682985155666097,0.1209197227074359,0.4621406918759292,0.0653960411058242,-1.1458448040397575,-0.3728837986748418,5.294265181094504,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,16.424959149616573,16.962040993610017,17.440100242570317,17.871160565830685,18.26384707466028,18.62438019234047,18.95728946925053,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_40,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0619649459105189,0.3788379707233755,1.27881769444466,2.86046834080795,4.436396846624845,5.469982138616726,6.006859059925868,6.256120730285115,6.349332903679349,2.2830848282168894,0.2741560138420201,0.0036747513000636,7.623797562266514,2.3076575706074736,4.759972619014475,0.3504750878094384,3.71835161348843,8.116454233844044,0.3507220933830997,3.5120601174759147,0.6153770202315861,14.920799896191673,0.2349879555505435,0.8343960115496926,0.0257864370015644,-3.5120601174759147,-0.6153770202315861,3.5480519228379377,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,13.48290225152572,14.411288995584762,15.247120410387096,15.99902124043428,16.675363469891852,17.28398796059689,17.832090050210894,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM0083_41,RSM0083.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0795146274086919,0.3490293629826662,0.9839680836084976,2.218890460347672,3.560604075588214,4.4764593920430205,4.960331479585603,5.186600675910847,5.271460218164178,1.7511714373478706,0.2704057100833307,0.0065358119169947,5.983250039020885,1.215118784986032,3.925258881626483,0.068404977349183,1.6599178594590662,3.570166972259792,0.1039804655875116,1.1373777503458484,0.3720742480416696,6.648933999835358,0.1177109224209042,0.4546046772894562,0.0653175136391522,-1.1373777503458484,-0.3720742480416696,5.295730681642779,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0083,16.401771495357476,16.942072011908074,17.42274455763194,17.85594955219187,18.250414259730217,18.61243598649405,18.94660266850724,[Cu].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]pts.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cu], topology pts"
RSM1815_0,RSM1815.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0024949913468567,0.1560757081601591,1.0760752824861757,2.7338705868207134,4.295366461729362,5.2945092838436985,5.809154946959483,6.0473859144274495,6.136376235200723,2.1421563086472606,0.0814024253003128,2.044159171154535e-06,6.2557264041110585,2.140917800941027,3.7985014888396593,0.3134742597398783,17.019885333269034,38.98011084152337,2.0017531615777355,8.987127313041906,1.8844382046535333,73.02329464409632,-17.019885333269034,-38.98011084152337,-2.0017531615777355,8.966089374109076,1.8844382046535333,-73.02329464409632,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1815,21.358211185418742,21.702308298806347,21.97499767883539,22.194356544141336,22.373199658667936,22.52077802613491,22.643884302013984,"[Mn].[O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-]pcu,.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-], nodes [Mn], topology pcu,"
RSM1815_1,RSM1815.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0036426021784777,0.1602733827353184,0.9426536986035856,2.425859961224581,3.966580327289286,5.007091335535129,5.555814121656033,5.812349581140081,5.908560291433524,1.8767561544746527,0.0892765264614692,4.209431204498227e-06,5.470797616988986,1.7243886666052992,3.6337872802355,0.3096347929540454,17.08928374259496,39.11670803204427,2.0,8.910716257405037,1.850268734545241,72.55358128702518,-17.08928374259496,-39.11670803204427,-2.0,8.910716257405037,1.850268734545241,-72.55358128702518,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-19.0,-42.927345,-2.0,7.0,0.9999999999999998,-73.0,RSM1815,21.50139239112418,21.84562298666525,22.120384065149505,22.34272403591736,22.524885017200788,22.6758063381134,22.802118054265385,"[Mn].[O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-]pcu,.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-], nodes [Mn], topology pcu,"
RSM1815_2,RSM1815.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0023438204893271,0.152844113731812,1.0649741133376638,2.71450029624916,4.26937918195184,5.264532940702232,5.777203302258321,6.014540062087874,6.103199778380965,2.12547308830444,0.0793433293461473,1.7070921380502513e-06,6.185409838556568,2.105137849313802,3.758558190737936,0.3061782237138341,17.013094540159923,38.965667744125405,2.0008803483549675,8.990426853259944,1.8858235827943977,72.99615168404813,-17.013094540159923,-38.965667744125405,-2.0008803483549675,8.97986267300033,1.8858235827943977,-72.99615168404813,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1815,21.30235079056832,21.64766465084576,21.9208271094996,22.140231149819225,22.318878667194145,22.466132176991703,22.588850883077487,"[Mn].[O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-]pcu,.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-], nodes [Mn], topology pcu,"
RSM1815_3,RSM1815.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0036560665257159,0.1607013669764182,0.944969763519863,2.431707691658638,3.976648216380061,5.020421896556061,5.570994331939904,5.828423587788642,5.924974147810717,1.881260060662728,0.089524726507763,4.236157663846408e-06,5.5065979282690085,1.7373888480780104,3.650893365770737,0.311247650079741,17.09362182406116,39.12536163816613,2.000001894598264,8.90638575433189,1.8483418406645256,72.53202350157261,-17.09362182406116,-39.12536163816613,-2.000001894598264,8.906363019152728,1.8483418406645256,-72.53202350157261,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1815,20.91384227938204,21.27973320522811,21.5717054508093,21.807918983567223,22.001408891402004,22.161689725000684,22.29581561199669,"[Mn].[O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-]pcu,.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-], nodes [Mn], topology pcu,"
RSM1815_4,RSM1815.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0024874875147397,0.1570210423636338,1.0824976471174663,2.7479222804426207,4.315411997646295,5.317966346291033,5.834261429845464,6.073233440551977,6.162497096218821,2.153675264275333,0.0818388603782544,1.9874315714355262e-06,6.314826372478527,2.1680924775973867,3.82474663759844,0.3167777211439969,17.020868121838106,38.98221492062031,2.0018928835146887,8.986703412220653,1.8842628423720849,73.0281612368377,-17.020868121838106,-38.98221492062031,-2.0018928835146887,8.963988810044388,1.8842628423720849,-73.0281612368377,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1815,21.46864365066964,21.81681857419381,22.09272255984673,22.31464843102833,22.49556773432765,22.64484577047113,22.7693592156052,"[Mn].[O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-]pcu,.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-], nodes [Mn], topology pcu,"
RSM1815_5,RSM1815.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0036424629026459,0.1603285414289157,0.9421982482421094,2.424046412580803,3.963666446046313,5.003382299761181,5.551633317529475,5.807933078389774,5.90405275479516,1.875390365106992,0.0893118697963235,4.2015240000707e-06,5.472321635431395,1.725484404503962,3.6328671606386767,0.3092338430466188,17.09455068930877,39.12732076605203,2.000105332469212,8.905870640568075,1.8481224416373687,72.53461982630095,-17.09455068930877,-39.12732076605203,-2.000105332469212,8.904606650937538,1.8481224416373687,-72.53461982630095,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1815,20.56995690010548,20.94729890684427,21.248151892954063,21.491366742823303,21.6904602365635,21.85528796233786,21.993149440529105,"[Mn].[O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-]pcu,.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-], nodes [Mn], topology pcu,"
RSM1815_6,RSM1815.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0023814429706393,0.1543682324685428,1.0720108798702002,2.727787116184912,4.287184782729277,5.284691611538416,5.798405742382431,6.03618627476534,6.1250053308398495,2.136760702391993,0.0802035139260556,1.782034073478054e-06,6.23355984558663,2.128827125735382,3.781496140232914,0.3108644543816343,17.016262992433333,38.97244182934666,2.001321743132692,8.989023980097434,1.8852412367409648,73.01120705712175,-17.016262992433333,-38.97244182934666,-2.001321743132692,8.973163062505137,1.8852412367409648,-73.01120705712175,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1815,21.45102287055244,21.796986929759925,22.070724933303904,22.290633990198906,22.469723305324123,22.617363274285257,22.74042053381864,"[Mn].[O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-]pcu,.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-], nodes [Mn], topology pcu,"
RSM1815_7,RSM1815.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0036148700543336,0.1601480141756997,0.944899941149573,2.435494487379068,3.9843185162588495,5.030098099980479,5.581508785948405,5.839278608581141,5.935948581138501,1.8835119703057184,0.0891203848592891,4.112861930150562e-06,5.534502549555706,1.7426336885426632,3.6651517070007817,0.3101735945022069,17.09204184779452,39.122209081192345,2.000000409349414,8.907959789603137,1.849042145261591,72.5398194154864,-17.09204184779452,-39.122209081192345,-2.000000409349414,8.907954877410168,1.849042145261591,-72.5398194154864,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1815,21.07272116603622,21.44118582658157,21.73510386953368,21.972808789529434,22.1674583039536,22.32865359813394,22.46351042160484,"[Mn].[O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-]pcu,.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-], nodes [Mn], topology pcu,"
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RSM1815_13,RSM1815.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425781689719988,0.4928346075208924,1.4056182128687098,3.205181359083486,5.166761268397477,6.513831156233609,7.228014474634718,7.562524779858051,7.688064013089782,2.524007429517076,0.389066290677899,0.0206594527243824,10.522079336658852,2.838730798088545,6.653012495293966,0.2752851381118584,4.51014113325062,9.748830094349351,0.7283873826965493,10.294070695192456,0.636758803505434,28.454912336632727,4.51014113325062,9.748830094349351,0.7283873826965493,10.294070695192456,0.6354226047073454,28.454912336632727,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1815,3.3068209003833924,3.9810666677925375,4.676719576986501,5.3761206346086965,6.065497311896436,6.734984856375693,7.378163455304767,"[Mn].[O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-]pcu,.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-], nodes [Mn], topology pcu,"
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RSM1815_15,RSM1815.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407870009119839,0.4778353252965437,1.2696951172303332,2.696540664948187,4.167125163575203,5.150805004210637,5.666502725881661,5.906904148745577,5.996952653302368,2.1690521990247875,0.380790795652715,0.0201780607024233,7.829465286418923,1.7310698810445853,5.282094278225978,0.1930045470875253,4.004131130814474,8.678951267673154,0.672459381512603,9.383806182915295,0.5209770128763106,27.05150105180983,4.004131130814474,8.678951267673154,0.672459381512603,9.383806182915295,0.5209770128763106,27.05150105180983,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1815,3.5347886457154525,4.2035760286683415,4.890098985880237,5.578072909820867,6.254899640498565,6.911616155479543,7.542439427875205,"[Mn].[O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-]pcu,.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])C(=O)[O-], nodes [Mn], topology pcu,"
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RSM0535_66,RSM0535.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0668744470477671,0.4195116027633309,1.4704203372420557,3.361492760688225,5.301998531271531,6.5984786854443485,7.277957578396683,7.594683270740658,7.713318309586562,2.6639940634925754,0.2999376428945723,0.0042535498649647,9.943525841654376,3.4757066314675256,5.949189210490016,0.637699808220601,4.248633580918172,8.51970455355536,0.3149893460046015,9.815737205067103,1.3716458578685935,32.51776667220571,-4.248633580918172,-8.51970455355536,-0.3149893460046015,-9.815737205067103,-1.3716458578685935,10.4685124518836,0.0,0.0,0.0,0.0,0.0,62.0,-7.0,-14.99146,-1.0,-15.0,-2.46,-35.0,RSM0535,15.02979282498306,15.772113087193835,16.43897181298553,17.04035726263658,17.58442785529015,18.077936842793907,18.52655465422396,[Li].[O-]C(=O)c1cc([N][N]c2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([N][N]c2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Li], topology "
RSM0535_67,RSM0535.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0729348528336476,0.4099151925470911,1.3318758702058098,3.050775715417147,4.936230283722023,6.252018346337128,6.95649799992454,7.288026731235647,7.412697454617964,2.4023997831257446,0.3006963214189571,0.0050497851222751,8.43449202399168,2.6280708328911024,5.3410299279663285,0.5688994583795842,4.295315250892026,8.677464920049363,0.3351781035602574,9.543608278019866,1.34261992162608,30.97398858944953,-4.295315250892026,-8.677464920049363,-0.3351781035602574,-9.543608278019866,-1.34261992162608,7.511521340231492,0.0,0.0,0.0,0.0,0.0,62.0,-7.0,-14.99146,-1.0,-15.0,-2.46,-35.0,RSM0535,15.801445630031491,16.409037292346326,16.962710340249313,17.468634515633315,17.93209198709805,18.357561926219898,18.748844535102204,[Li].[O-]C(=O)c1cc([N][N]c2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([N][N]c2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Li], topology "
RSM0535_68,RSM0535.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0617594174574155,0.4442625190245232,1.6564524912319667,3.7199243304846767,5.7500658090970775,7.0840054936614845,7.778853895402291,8.101981874987427,8.222905067390208,2.973099835842372,0.3085124853677635,0.0035323082165388,11.055005909319826,4.397453585470134,6.293848763866965,0.8697208564909255,4.259046280118074,8.143452121847584,0.1445146404251447,10.88483950064106,1.752848032137759,41.53303295994114,-4.259046280118074,-8.143452121847584,-0.1445146404251447,-10.88483950064106,-1.752848032137759,31.417008130181,0.0,0.0,0.0,0.0,0.0,62.0,-7.0,-14.99146,-1.0,-15.0,-2.46,-35.0,RSM0535,14.786072310236676,15.58112624186086,16.29525161075709,16.938344484892035,17.51864922997076,18.04317264303916,18.51796641297754,[Li].[O-]C(=O)c1cc([N][N]c2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([N][N]c2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Li], topology "
RSM0535_69,RSM0535.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0625687039527676,0.4168215679275813,1.4504453802218449,3.2149650619196484,4.9985876889596526,6.194824397752046,6.824766333968362,7.119197221792084,7.229615984275807,2.5709913585003688,0.2957232132475149,0.0036504445298261,8.55343168807553,3.1064841790740294,5.1332790195188185,0.6781200477447159,4.602827829030386,8.980952565149632,0.2404252183250922,11.415679622409128,1.712363175658257,41.10510431823053,-4.602827829030386,-8.980952565149632,-0.2404252183250922,-11.415679622409128,-1.712363175658257,24.27533903547408,0.0,0.0,0.0,0.0,0.0,62.0,-7.0,-14.99146,-1.0,-15.0,-2.46,-35.0,RSM0535,15.32075494656432,16.042930838563777,16.696198452663413,17.288172907947555,17.825327367709004,18.3132651638842,18.75691008863001,[Li].[O-]C(=O)c1cc([N][N]c2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([N][N]c2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Li], topology "
RSM0535_70,RSM0535.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0755112264238905,0.4165790334751713,1.3783531242817513,3.135961723591812,5.022419539788427,6.330868271976393,7.0306221512789016,7.359876416915088,7.483691512542944,2.4796465629223863,0.3051884986260816,0.0054822192056676,8.574761620315522,2.8164952334426667,5.356102468403815,0.6171659162873934,3.903667115417636,7.817984735185937,0.2599972991080891,8.560462629874918,1.3101921328906063,29.052558926980684,-3.903667115417636,-7.817984735185937,-0.2599972991080891,-8.560462629874918,-1.3101921328906063,10.852747989414448,0.0,0.0,0.0,0.0,0.0,62.0,-7.0,-14.99146,-1.0,-15.0,-2.46,-35.0,RSM0535,15.818469893673278,16.419860924512626,16.96543178905335,17.462374081225086,17.916738712347954,18.333536830631857,18.716903272268265,[Li].[O-]C(=O)c1cc([N][N]c2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([N][N]c2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Li], topology "
RSM0535_71,RSM0535.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0754339922177555,0.4050372218231512,1.371316797541516,3.2480217341834683,5.247315708187024,6.605085048484401,7.322039214667072,7.657355707810638,7.783129455161032,2.543742293879962,0.2980969618530318,0.0055696680699905,9.701028201351424,3.0932925380550977,5.998338473938742,0.5258852507290537,4.255041438635271,8.5418242693656,0.3148763594018449,9.717504968496172,1.371779107204536,32.165982015367085,-4.255041438635271,-8.5418242693656,-0.3148763594018449,-9.717504968496172,-1.371779107204536,10.12463685723794,0.0,0.0,0.0,0.0,0.0,62.0,-7.0,-14.99146,-1.0,-15.0,-2.46,-35.0,RSM0535,15.47588649735563,16.15006247805292,16.750131662647835,17.28852683770578,17.77484638448849,18.216563942795787,18.61956289483695,[Li].[O-]C(=O)c1cc([N][N]c2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].cat0,"linker [O-]C(=O)c1cc([N][N]c2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], nodes [Li], topology "
RSM0788_0,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.0016580215964067,0.1306694964426959,0.9603678735970014,2.4805942326349086,3.882465336909506,4.7590648869205845,5.204787759164916,5.409871223576607,5.486285309361978,1.9399791307491576,0.0663394992854739,7.771573779557383e-07,5.070478768730357,1.831714997250956,2.9536101527884027,0.2525862739776729,35.841126574693675,86.60557351211327,2.617301666550249,3.183795090459565,1.5647908360339964,65.62937461553018,-35.841126574693675,-86.60557351211327,-2.617301666550249,3.183795090459565,1.5647908360339964,-65.62937461553018,-14.0,-34.914,-1.0,4.0,1.66,-22.0,-43.0,-102.8073,-3.0,1.0,0.7699999999999998,-76.0,RSM0788,21.6375570442957,21.895898713199056,22.10085836543734,22.26594356242625,22.40070570809604,22.51203745418458,22.60500347848449,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_1,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.0016569433115251,0.1306324633186603,0.9602409177811042,2.480422299216828,3.882292794727216,4.758900641566427,5.20462925954353,5.409715627675876,5.486130831905499,1.9398152730889489,0.0663171674823066,7.759692394340607e-07,5.070339865772901,1.8313840207370349,2.953618763058243,0.2524922079270393,35.8404001858628,86.6038594009079,2.6172488806933223,3.183835263150389,1.5647842994225845,65.62801829620496,-35.8404001858628,-86.6038594009079,-2.6172488806933223,3.183835263150389,1.5647842994225845,-65.62801829620496,-14.0,-34.914,-1.0,4.0,1.66,-22.0,-43.0,-102.8073,-3.0,1.0,0.7699999999999998,-76.0,RSM0788,21.63687982576933,21.89534520868441,22.10039652104276,22.26555172123089,22.40036868449848,22.51174425612143,22.604745931123883,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_2,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.0016579966392856,0.1306708631626219,0.9603655847434824,2.4805797125673057,3.8824526816811415,4.75906210624886,5.204792615505482,5.409880175330774,5.486295879544774,1.9399678922997912,0.0663403220033979,7.76888241065697e-07,5.07066383090992,1.8317202039357083,2.953677615198208,0.2525759170468009,35.84007818554592,86.60309776618949,2.617225125775392,3.183848449534176,1.5647791807138267,65.62738345804493,-35.84007818554592,-86.60309776618949,-2.617225125775392,3.183848449534176,1.5647791807138267,-65.62738345804493,-14.0,-34.914,-1.0,4.0,1.66,-22.0,-43.0,-102.8073,-3.0,1.0,0.7699999999999998,-76.0,RSM0788,21.636458231988893,21.894985692112904,22.10008763460982,22.265284245005976,22.40013527742887,22.511539084135247,22.60456434330205,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_3,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.0016578905425399,0.130672545013523,0.960397165997986,2.480687697046269,3.88263889978988,4.759299199180655,5.205056048941305,5.410155829044077,5.486576102393013,1.940047201787284,0.0663407184189182,7.765471016640636e-07,5.070824175697721,1.8317701669673303,2.953876746110649,0.2526031818197379,35.84180692721782,86.60718384133669,2.6173520721158257,3.183770010287916,1.5648029879316918,65.63073617885644,-35.84180692721782,-86.60718384133669,-2.6173520721158257,3.183770010287916,1.5648029879316918,-65.63073617885644,-14.0,-34.914,-1.0,4.0,1.66,-22.0,-43.0,-102.8073,-3.0,1.0,0.7699999999999998,-76.0,RSM0788,21.63675021825033,21.895215952990306,22.100274362553552,22.26543909405813,22.400266035496696,22.511651151144488,22.604661585092064,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_4,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0200340201216506,0.4183901287441061,1.730864463581311,3.668727787659913,5.443239862048578,6.577603157131139,7.162317260061795,7.433090901357312,7.534254509145895,2.9908805801122127,0.2609330567198525,0.0001028606590139,8.994911535863373,4.72917021291963,4.483966120822197,0.9210264825575027,19.000000000000004,42.933795,2.0,7.000000000000001,1.56,60.0,-19.000000000000004,-42.933795,-2.0,7.000000000000001,1.56,-60.0,-19.0,-42.933795,-2.0,7.0,1.56,-60.0,-19.0,-42.933795,-2.0,7.0,1.56,-60.0,RSM0788,17.682804258117415,18.49085406118133,19.16830358957521,19.73934522238528,20.22342435268896,20.63614352078676,20.990028773749867,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_5,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0200368421525301,0.4184289890134685,1.7309761131015904,3.668990312254359,5.443715149983844,6.578244810334794,7.163051999780499,7.433870217060114,7.535050701804828,2.991080340769037,0.2609601826033455,0.0001028707502777,8.996540513222802,4.729779498605724,4.484883352017333,0.9211364298227032,19.0,42.933795,2.0,7.0,1.5599999999999998,60.000000000000014,-19.0,-42.933795,-2.0,7.0,1.5599999999999998,-60.000000000000014,-19.0,-42.933795,-2.0,7.0,1.56,-60.0,-19.0,-42.933795,-2.0,7.0,1.56,-60.0,RSM0788,17.68253098391034,18.49068480507093,19.16821365283763,19.739314193656867,20.223436157411967,20.636185859957315,20.990092404624168,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_6,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413437217564557,0.4914706866212376,1.3213668691507932,2.6632506772177296,3.963269183920999,4.8190174680328575,5.26635414657746,5.474815393793358,5.552901333788304,2.182309487944714,0.3879562187970452,0.0203081046135936,7.732484265194989,1.7990606620890273,5.131024513498727,0.1703929058360939,11.802248901271598,26.56625457890682,1.3972158081873705,14.638443394835786,0.8953949994152647,48.52564936734851,11.802248901271598,26.56625457890682,1.3972158081873705,14.638443394835786,0.8953949994152647,48.52564936734851,34.0,78.89605999999999,3.0,16.0,1.2399999999999998,89.0,5.0,11.00276,1.0,13.0,0.3499999999999996,35.0,RSM0788,3.336580746171052,3.988059171952392,4.664897308203765,5.349398371968094,6.027465505468893,6.688783686421915,7.326453640022424,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_7,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406333444611619,0.4784818626981725,1.243231222216441,2.441272533254118,3.5420211939202613,4.240089953943607,4.59838716604703,4.764010181540884,4.825843980295564,2.0191764844732347,0.380919074486954,0.0201419271604042,6.9977518946282,1.4973731476985013,4.735371355726749,0.1191020722980178,5.247852403477335,11.355100323820665,0.8623057806865542,12.146298648969768,0.7184709807601247,34.12214263067211,5.247852403477335,11.355100323820665,0.8623057806865542,12.146298648969768,0.7184709807601247,34.12214263067211,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0788,3.4287374626023457,4.090966526291876,4.776538403476426,5.467649337716058,6.150300699897617,6.814402103122655,7.453338810032624,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_8,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408848861635049,0.4817797812822726,1.2623157827024911,2.505315155791694,3.6894859957674937,4.462178911529421,4.864700412230345,5.052023110223353,5.122154083975597,2.062626712784899,0.3827359870672474,0.0202058146128463,7.233906042705281,1.5679029851779247,4.886485137868373,0.1306629638618853,8.070132479522176,17.904680999883848,1.0812937475234183,13.068524310934398,0.8033933193752805,39.60051776926606,8.070132479522176,17.904680999883848,1.0812937475234183,13.068524310934398,0.8033933193752805,39.60051776926606,34.0,78.89605999999999,3.0,16.0,1.2399999999999998,89.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0788,3.417038923480244,4.077975452599009,4.762467556496022,5.452712900531002,6.134692360893995,6.798278227660765,7.436809671783767,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_9,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413705338112104,0.4915010875643106,1.3213647512407312,2.663243668312242,3.96330670978224,4.819100993099556,5.266465489687832,5.474940442409577,5.553031628405812,2.182296954354224,0.3879893224444848,0.020315831180878,7.732403838718207,1.798973408072225,5.13105042927866,0.1703974648290447,11.80421607809334,26.570857857046114,1.3973510431286524,14.638652517420857,0.8954255128052785,48.52859318519098,11.80421607809334,26.570857857046114,1.3973510431286524,14.638652517420857,0.8954255128052785,48.52859318519098,34.0,78.89605999999999,3.0,16.0,1.2399999999999998,89.0,5.0,11.00276,1.0,13.0,0.3499999999999996,35.0,RSM0788,3.3369229296003167,3.988428793274544,4.665286278753036,5.349799432979213,6.027872442737287,6.689191378324448,7.32685800287202,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_10,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405885572758647,0.4784234532866016,1.2432145412788005,2.4412808502263244,3.5419976963259026,4.2400238297407045,4.598293448285924,4.763902523001199,4.825730933957477,2.019183600025328,0.3808588386735462,0.0201291898613528,6.997667861880283,1.4974450538508035,4.735270838373013,0.1191247973004629,5.247747067653153,11.354811454627958,0.8622293578664525,12.145581930584772,0.7185673991060545,34.11731971238592,5.247747067653153,11.354811454627958,0.8622293578664525,12.145581930584772,0.7185673991060545,34.11731971238592,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0788,3.4290197967599623,4.091287986524338,4.7768872673084495,5.46801563861586,6.150676319589984,6.814780641948697,7.453715361896988,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_11,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140825513163686,0.4816881762497539,1.2622027270573866,2.505158901281359,3.689260458897119,4.461896032999759,4.864384628020206,5.051691388392324,5.121816299168779,2.0624893511698006,0.3826494057997635,0.020188925448947,7.2333685075687235,1.5677421882518956,4.886149151974523,0.1306389052293197,8.073023485191333,17.911387834537944,1.081479618573387,13.06896489453732,0.8035114877359106,39.603667336628405,8.073023485191333,17.911387834537944,1.081479618573387,13.06896489453732,0.8035114877359106,39.603667336628405,34.0,78.89605999999999,3.0,16.0,1.2399999999999998,89.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0788,3.417072143656399,4.078007137614852,4.762495042245184,5.452735008230145,6.134708820631005,6.79828928471645,7.436815832906295,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_12,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413863482273899,0.4915149966478914,1.3213434127303827,2.663130553084532,3.9630753206790095,4.818786667450286,5.266107594317507,5.474562300198324,5.552645917469105,2.182221785528183,0.3880064535482228,0.0203203985950919,7.732024234038713,1.7989310215182894,5.130719802595018,0.1703549294706162,11.800128746337048,26.5612424647322,1.3970599423245966,14.638349496117293,0.8954253024470692,48.521520817989135,11.800128746337048,26.5612424647322,1.3970599423245966,14.638349496117293,0.8954253024470692,48.521520817989135,34.0,78.89605999999999,3.0,16.0,1.2399999999999998,89.0,5.0,11.00276,1.0,13.0,0.3499999999999996,35.0,RSM0788,3.336833225888466,3.988350916947895,4.665219934573692,5.349743795740938,6.027826384133604,6.689153653537163,7.326827377001461,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_13,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406591726624772,0.4785263161204133,1.243307957044549,2.441396178175692,3.5422125710187764,4.24034309551047,4.598678050760237,4.764319896072212,4.826160947470355,2.0192818964283465,0.3809590564309694,0.0201492462137842,6.9981709675478045,1.497511924232699,4.73560931172184,0.1191213047700194,5.247854634979944,11.355128062105946,0.8623283681377458,12.146481580081907,0.7184296223078008,34.12371259474249,5.247854634979944,11.355128062105946,0.8623283681377458,12.146481580081907,0.7184296223078008,34.12371259474249,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0788,3.428882824080277,4.09112027935661,4.77669888367355,5.467814361858688,6.150468039330894,6.814569739697271,7.453505046401736,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_14,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408202528782196,0.4816830832254528,1.2622161018216091,2.505198570239769,3.689326812830945,4.461980473530521,4.864478438041234,5.051789516547669,5.121916035095396,2.0625196611168635,0.3826429592192403,0.0201874407104864,7.233264354360573,1.5677810798214171,4.886050123215137,0.1306564306928715,8.06741975386074,17.898338885855058,1.0810586014846606,13.06755276843392,0.8033812806027563,39.59339509814402,8.06741975386074,17.898338885855058,1.0810586014846606,13.06755276843392,0.8033812806027563,39.59339509814402,34.0,78.89605999999999,3.0,16.0,1.2399999999999998,89.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0788,3.416505421374325,4.077394175333724,4.761854902064247,5.452082790059132,6.13405605940707,6.797644512889459,7.436185158059961,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_15,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413456508775934,0.4914622882429434,1.321306080057741,2.663142725045181,3.9631255355146178,4.818846379415971,5.266167013792289,5.474620388109847,5.552703315717148,2.1822152265272305,0.3879534227982525,0.0203086774352563,7.732017537943685,1.7988204598442223,5.130830208756069,0.1703687878525933,11.804988695047024,26.57270181251429,1.3974113160382915,14.638641586549232,0.895392772346699,48.53042589038344,11.804988695047024,26.57270181251429,1.3974113160382915,14.638641586549232,0.895392772346699,48.53042589038344,34.0,78.89605999999999,3.0,16.0,1.2399999999999998,89.0,5.0,11.00276,1.0,13.0,0.3499999999999996,35.0,RSM0788,3.3368828378687665,3.988405012974744,4.665273676740765,5.349794227419129,6.027871926273056,6.689193656081308,7.326861775279021,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_16,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406290759539649,0.4784790399387245,1.2432637836441751,2.441329079928783,3.542036325049252,4.240048254298459,4.598308052787098,4.76391202596975,4.825738443183095,2.019232324158369,0.380914112153723,0.0201407357544069,6.998160466009422,1.4974828555983033,4.735644022466752,0.1191157517268038,5.247259005264447,11.353720575743717,0.8621153806408947,12.144182050391606,0.7185639186410008,34.111781618540405,5.247259005264447,11.353720575743717,0.8621153806408947,12.144182050391606,0.7185639186410008,34.111781618540405,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0788,3.429066919600034,4.091358924012643,4.77697769050158,5.468121348615256,6.150793486900106,6.8149059268978185,7.453845949707808,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_17,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408208281426054,0.4816930280042553,1.2622512029335873,2.505262782048727,3.6894257437072486,4.462111449513215,4.864629559131035,5.051950842182385,5.12208131728574,2.0625736741760887,0.3826492390019301,0.0201875145425462,7.233904828544365,1.567881290632037,4.886490371345184,0.1306559162426666,8.069467947046737,17.903002389262383,1.081193864345234,13.068375692075533,0.8035586808047764,39.595314466954605,8.069467947046737,17.903002389262383,1.081193864345234,13.068375692075533,0.8035586808047764,39.595314466954605,34.0,78.89605999999999,3.0,16.0,1.2399999999999998,89.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0788,3.4164062223461458,4.07731773874165,4.76179265469978,5.452029230718116,6.13400777901273,6.797599474726092,7.436142198663012,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_18,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1569581142272406,0.7784267375574125,1.887465868561368,3.482927296628927,5.006588729226509,5.995182273848501,6.506758178428847,6.743914988981189,6.832547265892922,2.91446716078649,0.6020812524554973,0.0098692179597046,8.497683954904339,4.113074505760663,5.029755630336896,1.2501881877209382,1.7961279164712287,3.7044883411388825,0.1043577126130436,2.553311706319827,0.5874325609139891,10.807017990358425,0.7895402717959116,1.4894398864733238,-0.0969598163220197,-0.0638161698359971,0.516971425786717,-10.6442642719559,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,6.795983915082122,7.62692479544162,8.445864040752424,9.247626601033542,10.02795256583095,10.783238289587844,11.51051459974807,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_19,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175460766652146,0.8985405351709107,2.1351691035520024,3.811587304073137,5.266770555465082,6.158171259363077,6.60707326703415,6.8126973478090935,6.889167638586606,3.2350536634438085,0.7072639983289144,0.0234337714889849,10.330577779950053,5.052038030328478,6.210789574800405,1.6590975909857415,5.100289022912191,11.75561634065814,0.5185356228136982,3.73671120342674,0.1497257461477029,17.36804673556587,2.5396293671537986,6.120751613859698,0.0064036916620196,-2.921003901545082,-0.0295204297553844,-5.819381817100076,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,9.424509897154682,10.196328288138362,10.948230661826086,11.67549398991576,12.374179583178092,13.0413976584337,13.675316231865596,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_20,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161483647687187,0.8915711019421583,2.0942478961512205,3.697467756813602,5.064148566357729,5.888611172265873,6.300099368823466,6.487763372079696,6.557423425759684,3.14927954233804,0.7027526272813247,0.0232039067943771,9.897251885004575,4.813482661853838,6.039267144484945,1.5999604618630334,2.1831086654682124,4.829961345034901,0.328922090419821,4.095025195957548,0.2049525464380603,15.07865448824791,-0.7635121468875055,-1.6542309768360977,-0.2604020720513226,-3.56618891616732,-0.0013109104268397,-13.571214084140946,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,9.476869265122376,10.25509209625229,11.012021585377411,11.743051930468726,12.444383620079211,13.113273901574688,13.748036724099572,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_21,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1533009432058884,0.778360144850545,1.872581474253855,3.225759690787199,4.358244664407731,5.049199861934952,5.39804991365413,5.558176298832849,5.61778740912086,2.769966035945976,0.5994398205551952,0.0092026903289311,6.505343700422455,3.7111589715728734,3.617762524348288,1.2281773426842375,1.5594273839475317,3.21506318943819,0.0478093246870671,1.6700515563834115,0.5505603177839342,7.876569612475775,1.2067086622913046,2.438887301060135,-0.0227344196441783,0.7472735986703379,0.5214738605846985,-7.32492170153222,43.0,102.8073,3.0,3.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM0788,6.912885855495059,7.672618589375595,8.431970805511904,9.185587708351584,9.928227439243043,10.654939599503884,11.361314907466111,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_22,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1561378192814856,0.7783287250234853,1.886683749720834,3.47846433969563,5.003742856562442,5.995338429367958,6.508824628618215,6.746924076072871,6.835916241731757,2.910744485684709,0.6016211563444329,0.0096837570340913,8.43044090911907,4.086396361266863,4.963591189630511,1.2444599453971523,3.855583031400875,8.582053394337512,0.2402608602883318,2.395358807851577,0.5617927300038206,12.738177177081877,3.0624684937337427,6.836763612245029,0.0816379527549053,0.3316786306490573,0.5050562803307804,-5.656403290130656,43.0,102.8073,3.0,3.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM0788,6.7679193175322645,7.58821971458401,8.398590029465803,9.194090553129382,9.970344574993325,10.723453046279063,11.4500879737322,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_23,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1018446147646773,0.7316467627307143,2.173562709857901,3.957054157248176,5.388797978862428,6.250673956159979,6.684803427157105,6.884048054072615,6.9582301362621575,3.36748593477421,0.5264307445834189,0.0037221300617172,10.608122926854389,5.231759249862682,6.493181587791087,1.724439160674611,2.55674200215322,5.873772502256382,0.2286708528890826,1.554781445042267,0.1194695336945934,7.851956577797048,1.6182846067022103,3.80864820378187,0.0409793737988806,-0.8852077831303585,0.0537775160130228,-1.919651590661857,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,7.985089665956668,8.779543291060827,9.55719954976292,10.316222651499004,11.05396936396022,11.76753109649533,12.4541961361551,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_24,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.102488716300966,0.7330086275103135,2.1752943748773443,3.974117291703179,5.427327281977045,6.30257905060016,6.743019463938944,6.945015576083391,7.020195785324556,3.377520247316421,0.5278861522362139,0.0037554256387593,10.632186451760225,5.264557387104087,6.491363810258308,1.728970908224423,1.913306429921883,4.370794945618969,0.1334827600166777,0.7886402232885359,0.1446254751464576,4.875556672940244,1.622539918691662,3.730948117798284,0.0753294577706336,0.0326472940899618,0.1242718193603422,-0.2816878816193945,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,8.000375926144628,8.78786816160022,9.558821342082965,10.311690024644616,11.04398981506725,11.752875111599538,12.435632118515723,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_25,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2164641922409506,0.8927659015181918,2.101390048476796,3.718110625949295,5.107949784667144,5.954404377424508,6.379486133423194,6.57395915349001,6.6462457577835625,3.164203338165144,0.7035404837902537,0.0232748911775452,9.988328013959553,4.850983957022772,6.081074268125509,1.6099811897747278,3.8193588510470886,8.684311883378061,0.5028493514072185,4.959561927346966,0.1565753757272631,19.476509030306964,0.1635280679072227,0.6394661418780648,-0.2283168052207546,-4.545598108816684,-0.0993327790925272,-13.43679301420476,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,9.42578976268829,10.203231830311976,10.960177247243536,11.69168662236609,12.39377708418651,13.063605562807297,13.699429120422057,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_26,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1023682710661894,0.7300011563025479,2.1573244945168324,3.918260489283364,5.311586450027402,6.136458982137071,6.54762951492835,6.735362395208999,6.805102529393581,3.338011720534188,0.5263397789619314,0.0037179544678491,10.41920164699991,5.126109826567132,6.415790578324242,1.6971789354023834,1.0469771845132052,2.3229806564317026,0.1263051046096996,1.5073037557123052,0.1145411270757023,5.914175837125064,0.0458853125488261,0.1200259353967446,-0.0739132697831761,-1.0955351113950802,0.0444646960381958,-4.761555470941547,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,7.971991339475164,8.752299150832897,9.518796079436775,10.269117024528365,11.000194530813037,11.70877420201271,12.391856652052743,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_27,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1569981844877182,0.7785150380592568,1.887610097352383,3.483192938183054,5.006938168881159,5.995564912994993,6.507152282779988,6.74431321126845,6.832946841875569,2.9146913732696995,0.602162199417489,0.0098742210137722,8.49888830525908,4.113701576955121,5.030314577727962,1.2503964636447729,1.7958752946095708,3.703931882391524,0.1042713988126436,2.5521776305357093,0.5874422253928271,10.803387580370334,0.7902417134236163,1.4909828940456085,-0.0968553174245473,-0.0624696805477731,0.5170478747098103,-10.64023378983222,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,6.796716518453248,7.627562943043129,8.446416185358117,9.248101388762633,10.028358692730276,10.78358422144147,11.51080830848462,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_28,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175568243588181,0.8985259237928743,2.1351052552986904,3.811458328901499,5.266615645393284,6.1580245980181925,6.606938706829345,6.812570173247545,6.889043509179561,3.2349449387485296,0.7072571772904673,0.0234402039057422,10.33009596780552,5.051735560400045,6.210571118688128,1.65901939087677,5.1011565441379485,11.757657138716588,0.5186081195126505,3.736919404352532,0.149717823090203,17.36967378903767,2.5403620613384046,6.122495718003086,0.0064492229527418,-2.9211462509262804,-0.0295377907057648,-5.818412254799036,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,9.424217901004326,10.196109435337062,10.948079809331272,11.675405296529462,12.374146547974634,13.041413421956364,13.675373921310571,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_29,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161080816777834,0.8915273694524702,2.094248457457476,3.6975243136604425,5.064243234597165,5.888727547755157,6.300226761892263,6.487895886886997,6.55755786106438,3.149318735998265,0.7027053594428929,0.0231914970314106,9.897559907624467,4.813497219862512,6.0394356025905545,1.5999333004785652,2.183912068964787,4.8318581626684525,0.3289707335433024,4.094933871686498,0.2049515344887792,15.079334223949887,-0.7625838066469475,-1.6520592294007006,-0.2603284415790444,-3.5659554049040114,-0.001303176804042,-13.569203800736217,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,9.476252944637878,10.254511918951104,11.011473676161394,11.74253263452439,12.443889757701958,13.112802843984907,13.747586363489164,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_30,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1533063719461544,0.77837098505945,1.8726314780879307,3.225913915804022,4.358529009116412,5.049581611347717,5.398485429838255,5.55863743610977,5.618258228808738,2.770078932829817,0.5994487498393412,0.0092036655105086,6.505920819448214,3.711491742848222,3.617969549325129,1.228233405580619,1.5599272618123885,3.216290949574216,0.0478058819942574,1.6693303038262737,0.55054585011788,7.87505775279321,1.2078039957831508,2.441425392267044,-0.0226187712115901,0.7480902450021435,0.5214931547917873,-7.3209413155745295,43.0,102.8073,3.0,3.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM0788,6.912910249503649,7.672675600500376,8.432051221921176,9.185685330270974,9.92833781033746,10.655059335138544,11.361441335832168,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_31,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1561175280210532,0.7782711643270499,1.886597366185833,3.478326226749755,5.003552568298419,5.995119148902243,6.508592285198131,6.746686140905759,6.835676292408274,2.910626403424116,0.6015708843360603,0.0096817684770317,8.429903144845078,4.086036887620344,4.963314560898676,1.2443541640509954,3.85570253232211,8.5822684830188,0.2402583730170687,2.395574959155772,0.5618759264810647,12.739129853115909,3.062555817294047,6.836907892970364,0.081629030011456,0.3318089497472219,0.5051355526706995,-5.6576069864883625,43.0,102.8073,3.0,3.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM0788,6.7676493063305045,7.588094099058486,8.398575754132969,9.19416119262256,9.97047899749356,10.723634425864102,11.450303003733133,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_32,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1018280332667676,0.7316109055068712,2.1735451264459056,3.957076768766197,5.388893319224783,6.250838609380018,6.685010547352484,6.884276321980026,6.958466539539576,3.3674912616196093,0.526395906088854,0.0037206685055723,10.608500587788775,5.231717793926125,6.493452344522288,1.7244142224061492,2.557068087038283,5.874562426852844,0.228716851421992,1.5549913190771545,0.1194275770466904,7.852881447285394,1.6183812772645834,3.8089332902317103,0.0409794894672522,-0.8855943863344635,0.0537195003625315,-1.9195619477220192,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,7.984342109135191,8.778833337454731,9.556514215771951,10.315553609316018,11.053311896762931,11.766883045853575,12.45355701583744,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_33,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1024880234912059,0.7329898001881215,2.1752471780876714,3.974034669508611,5.427183064169482,6.302379825551475,6.742787777323006,6.944768007233705,7.019942152064096,3.3774529165867944,0.5278733368909919,0.0037556719333214,10.631756331059876,5.2643602164321806,6.491093480687956,1.7288975565907685,1.912088311866456,4.36784183577138,0.1333960123863299,0.7890096848446314,0.1447211179406448,4.875390655109892,1.6211028194852826,3.727513128541004,0.0751989139100952,0.03244740465358,0.1243521334739626,-0.2863022765885383,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,8.000559922985268,8.788102511841487,9.55909291025592,10.311988042117818,11.0443055340233,11.753201500720689,12.435963595973194,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_34,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2164176672166498,0.8927222563208609,2.1013662885529545,3.7181090261282894,5.107986361431934,5.954475837495945,6.379578584787729,6.574061985804748,6.6463525730520665,3.1641923004956274,0.7034927533417097,0.0232590020271123,9.988308732225583,4.850884491853289,6.081067412904394,1.609910977104662,3.81906640106506,8.683622021296244,0.5028368374753447,4.959661656065694,0.1565712009506666,19.476449190139352,0.1631263333602435,0.6385357934282735,-0.2283511760656186,-4.54578251996683,-0.0993446037886703,-13.437764639125376,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,9.42607269659531,10.203491891424994,10.960404422872813,11.691875223181736,12.393924850307576,13.063712767886422,13.69949777012206,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_35,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.102377208822724,0.730014679964911,2.1573216479666586,3.918283051981965,5.311687018109907,6.136629819698094,6.547841354995235,6.73559417027422,6.805341895546346,3.338017540953769,0.5263548837446502,0.0037187581124168,10.419361244495065,5.126101773125422,6.415912225020778,1.6971793790592806,1.0477643889394426,2.324846068557392,0.1263993930823174,1.507803881219974,0.1144978105714286,5.9165015447888205,0.0462255306772243,0.1209077309307502,-0.0739083785701262,-1.096197150261793,0.0443900904930733,-4.761699225520614,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,7.972590390821133,8.75281238594916,9.519233021557737,10.269486417716822,11.000504412270908,11.709031942509618,12.392068968728053,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_36,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1569567584283653,0.7784487234602369,1.8875254290186283,3.483034632034752,5.006746109520771,5.995373276929545,6.506966559334364,6.744131381443144,6.832766642646648,2.914556996855789,0.6020962988243035,0.0098677921843365,8.498128930501181,4.113320812303972,5.030069046703025,1.2502320238975948,1.7951102887137729,3.702085270397631,0.1043297119183898,2.553880828394102,0.587409243004313,10.807448802198154,0.7879403865140604,1.485755527772248,-0.0971042685215527,-0.0647609173251509,0.5169073498503333,-10.648489047467736,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,6.796649690868607,7.627461019984986,8.446310746717684,9.248012663865651,10.028298540593209,10.783558517940245,11.510818821147833,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_37,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175678473327728,0.8985315568092563,2.1350889527036,3.811424557917555,5.266540048034874,6.157896876711359,6.606775608850378,6.812388723537635,6.88885488489852,3.2349179607893817,0.7072656209597133,0.0234443785012085,10.329653530475296,5.051683967281115,6.210249882302894,1.6589945068794214,5.099165799807581,11.752959724087845,0.5184438079731569,3.7365442272539817,0.1497501062555784,17.366270465077744,2.538619165951658,6.118343707862922,0.0063344812019721,-2.920877020771421,-0.0294881581143361,-5.821148103224903,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,9.424615230335217,10.19652127737755,10.948494882336902,11.675815760218429,12.374547092926376,13.041800605235736,13.675745663876675,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_38,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161691362149247,0.8915926325562776,2.094270260963669,3.6974868094319655,5.064146864738906,5.888587697302216,6.300062386101322,6.487719648581711,6.557377108046975,3.1493018824478103,0.7027750618855929,0.0232108558291962,9.897246365431668,4.813550286002023,6.039240434128417,1.5999986310754613,2.181725929989257,4.8267165975133,0.3288209469728606,4.094844284930094,0.2049455862172076,15.076469062290908,-0.7648410536240885,-1.6573572714110163,-0.2604924497498084,-3.566229872464604,-0.0013141026357263,-13.573242123383755,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,9.47733641761075,10.255501788580458,11.012380552631504,11.74336565994507,12.444656901509584,13.11351108731396,13.748241830402767,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_39,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1533211419058434,0.7784252921474343,1.872689051500661,3.225896000965477,4.358404104201589,5.049375655547558,5.398234645752042,5.558365275638107,5.617977987766053,2.7700936382139765,0.5994948469780389,0.0092043576014049,6.505828045007102,3.711461786731718,3.618025030382293,1.228322890541134,1.559800910732149,3.2159516088776607,0.0478363279747105,1.6700378148563308,0.5505508613135396,7.876959114231864,1.207098627043871,2.4398118931028527,-0.0227041287629451,0.7473014586334974,0.521464679107711,-7.324050731573026,43.0,102.8073,3.0,3.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM0788,6.91326001865039,7.672881153109624,8.432141690892756,9.185682900017497,9.928260165469071,10.654921022258982,11.361254527955593,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_40,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1560833179350785,0.7781937146154456,1.8865018228643389,3.478198638529092,5.0033648707861005,5.994877085862646,6.508317813920576,6.7463957235999645,6.835379770725838,2.9105134889978226,0.601500084079616,0.009677523669711,8.429325139862167,4.085673417657746,4.962967800510973,1.2442379032612805,3.8550630685345633,8.58090722277325,0.240146848216896,2.3939236229411565,0.5617800557335465,12.73335671930672,3.063082175056264,6.838112083667794,0.0817506695212363,0.3331797698454579,0.5051143750499311,-5.651611329067806,43.0,102.8073,3.0,3.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM0788,6.765774947609828,7.586627683119317,8.397446565031503,9.193311816438102,9.969861823163065,10.723209518542737,11.450036710595633,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_41,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.101846195426991,0.7316571410791995,2.173567577985391,3.9570427879111305,5.388775178788355,6.250647364491056,6.684776075815636,6.884020630062154,6.958202730415277,3.367480191925393,0.5264398525645378,0.0037218737104773,10.60792156491255,5.23177084916219,6.493087779491777,1.7244530709813222,2.5575243817426663,5.875619586773655,0.2286731727863986,1.5540886162641598,0.1195023190617987,7.850900082643039,1.6197551051975825,3.8120095297338175,0.0411193174773818,-0.8841115027530585,0.0538584697036429,-1.9154652968398689,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,7.985278515262197,8.77972652676137,9.557374172796964,10.31638695045756,11.054122530970982,11.767672950769654,12.454326916540442,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_42,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1024782188406087,0.7329506058212444,2.175160213494544,3.973923451038547,5.427083904453455,6.302299192656079,6.742718973534946,6.944705104286506,7.019881515534493,3.377344781531534,0.5278423867543325,0.0037550355844275,10.631573427394684,5.26393421312555,6.491060756699754,1.7287492622213574,1.9128502964962983,4.369762309386114,0.1334739548226792,0.7887118209840767,0.1445635536066859,4.8751080530492334,1.621886993076009,3.7294824301179887,0.0752812941386213,0.0322072320913236,0.1241961223672657,-0.2824925759006213,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,8.000364117223302,8.787924342701,9.55892419832145,10.311823707008072,11.044142738798104,11.753038929655036,12.435800898996948,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_43,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216406921608404,0.8926982280850628,2.10133321843304,3.7180436087418327,5.1078472905195484,5.954268154251676,6.379329680842952,6.573792739934886,6.6460755308769,3.16414344495721,0.7034712223660374,0.0232570741731587,9.988102156638371,4.850697679982645,6.080997860619487,1.6098477978870982,3.820583073949736,8.68721886738894,0.5029116480889055,4.959176801170228,0.1565644906991102,19.47680015280784,0.1651330013896099,0.6432108993166109,-0.2281783664231197,-4.544993387486099,-0.0993170143800983,-13.432667956160552,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,9.426576268356603,10.20395336070297,10.960836084861995,11.6922854711326,12.394319189298235,13.064094643129096,13.699869208729227,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_44,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.102369217465512,0.7300112555281484,2.157337894304782,3.918255450705528,5.31154056066663,6.1363748283556925,6.54752218223056,6.7352435751232775,6.80497929859563,3.338016072196049,0.5263476950169081,0.0037177054544258,10.419106770190602,5.126123006385472,6.415744962301663,1.6971982021084702,1.0457640179517615,2.320130611091813,0.1261946566305026,1.506870659661342,0.1145547545177776,5.91148617003181,0.0449844094250403,0.1178630419891195,-0.0739612650748416,-1.0951563225081329,0.0445001819209072,-4.762351555807268,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,7.971503987534707,8.751791431814118,9.518276884867502,10.268593344395663,10.999671857244078,11.708256827927336,12.391347893770584,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_45,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1569755966292331,0.7784865199520014,1.8875606112671144,3.4829996058076835,5.006588032821612,5.995118549937136,6.506658390218449,6.743797805274975,6.832423478597967,2.914555702090349,0.6021315855727704,0.0098703917544051,8.497790159827353,4.113225454166986,5.029822143897355,1.2502913217475986,1.7969887755759673,3.7065344621615792,0.1044121156753,2.5531727393643835,0.5874148394469204,10.807592677396032,0.7905404576867683,1.4917926033338658,-0.0968775479025397,-0.0635928871475334,0.5169634571946765,-10.641832186395304,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,6.796004804124138,7.626947100552058,8.445882373976914,9.247638865576684,10.02795853202651,10.783238667689044,11.510510477145242,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_46,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175483287570753,0.8985388154513974,2.1351273218575413,3.8114841770064207,5.266652066459483,6.158068901410918,6.606986942080154,6.812620155226065,6.889094128951199,3.2349683522020305,0.707264965689498,0.0234343670247385,10.330368614097107,5.05181874901705,6.21076350446968,1.6590438120601168,5.101969419862916,11.759584077175818,0.5186541680861078,3.7367437507499206,0.1497106820180875,17.370103771844782,2.5413606027170093,6.124831223387758,0.0065324046569263,-2.920839173829437,-0.0295319351821257,-5.815999171498036,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,9.4237488652895,10.195668039403897,10.947658472442306,11.674998669261155,12.373751188236982,13.041027343440476,13.674996160331974,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_47,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161391611087004,0.8915636588409438,2.0943024504028163,3.697586574721624,5.064300271457291,5.888780018350642,6.300277103444032,6.487945340594931,6.557607001684826,3.149380672925956,0.7027405106014258,0.0232023018226261,9.897908711336742,4.813742908186172,6.039675991109258,1.6000450339839414,2.1846565159082094,4.833599135453578,0.3290362321614413,4.095210738668033,0.2049535446578844,15.081037592556283,-0.7620221702149148,-1.6507205406520349,-0.2602995050631835,-3.5661538452520896,-0.001313963370734,-13.568829596394613,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,9.47599492689243,10.254288121938217,11.01128132834232,11.742368758974504,12.443751352027563,13.1126869898521,13.747490299647684,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_48,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1533068927018106,0.7784151704748645,1.8727864919321977,3.22619208298489,4.358878216261101,5.049961869400589,5.3988784418460405,5.559035715945366,5.618658380437355,2.770320268878698,0.5994783830839991,0.0092020155354406,6.507047293424747,3.7121162568143817,3.61863098437492,1.228464214104789,1.558869239799299,3.213781421324799,0.0477442447714619,1.669518444597027,0.5505492672230304,7.874330292446394,1.206539075773048,2.4384605742165046,-0.0227217880337881,0.7477473797098462,0.5214874241586178,-7.323836244217571,43.0,102.8073,3.0,3.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM0788,6.912873721072778,7.672578093658229,8.431905033030956,9.185500516899191,9.928122903206775,10.654821635974066,11.361187060352774,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_49,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1561347814504375,0.778288397669007,1.8865788235849188,3.478335596754955,5.00365253890772,5.99529629542108,6.508813287114431,6.74692822914057,6.835926374624916,2.910615379182697,0.6015923797936271,0.0096846537170372,8.429964815094786,4.08607793284233,4.963337570710803,1.2443398592937946,3.856368444332914,8.583813931659494,0.2403022460184565,2.3956647640286786,0.5618938493616732,12.740185451301466,3.063228908137986,6.838469139006671,0.0816743387794708,0.3319236312060995,0.5051587610168881,-5.656700585747068,43.0,102.8073,3.0,3.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM0788,6.768371914555083,7.588650725256019,8.399005910937365,9.194494688368655,9.970738428591922,10.723836971250424,11.45046174759796,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_50,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1018514263973785,0.7316803416503868,2.173619658233872,3.957111304147492,5.388854160335501,6.25073593161376,6.684870857607375,6.884118600673564,6.958301943393376,3.3675446608521225,0.5264576340573729,0.0037222928748586,10.60837396837076,5.23194224946985,6.4933342609588,1.7245350249609586,2.55589870277406,5.871792740680959,0.2286893141436511,1.5557508955873596,0.1194063398737407,7.853699149901339,1.6164638091165524,3.804517406573145,0.0408023354121497,-0.8867798279221593,0.0536458973177153,-1.9248828596737189,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,7.984173025450548,8.778682201150659,9.556381329318787,10.315438326692664,11.053212998461824,11.766799015800617,12.453486231827211,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_51,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1024734659563194,0.732946658708622,2.175202576641991,3.974021017558055,5.427206663675027,6.302427247206752,6.742847098667026,6.944832727895607,7.020008870708334,3.3774263439153143,0.5278349495244119,0.0037547077264929,10.631932786648562,5.264251621152416,6.491306839714929,1.7288148551566094,1.912344502125945,4.368395627155678,0.1334294542158002,0.7894893906749441,0.1447632537776965,4.877192664707306,1.621045552909563,3.72737714185967,0.0751696643725238,0.0321121227123506,0.1243723273325497,-0.2880120557641757,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,8.000646877078413,8.78817237801171,9.559148774768786,10.312031795962982,11.04433841216266,11.75322443649881,12.435977417968822,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_52,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2164219286665183,0.8927492820841697,2.101440595987855,3.718240118059374,5.108174552675619,5.954707761788305,6.379835580243769,6.574331184753933,6.646626427743783,3.164303874362999,0.703512925542388,0.0232583034801105,9.98898142815303,4.851203394378171,6.081445970529237,1.6100185806136016,3.819142898973009,8.683802876272853,0.5028487066339401,4.95974877160148,0.1565654279621018,19.476785936056466,0.1631242995112514,0.6385438351900822,-0.2283550132584114,-4.545899586999091,-0.0993558740002209,-13.437924681794836,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,9.425245150907198,10.202724250347208,10.959690010729757,11.69120896194855,12.393302641279147,13.063131107969458,13.69895353895998,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_53,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1024079041395651,0.7301228422559816,2.1574822699383662,3.918478582462968,5.311930440316039,6.136914206297004,6.548149575551498,6.735913985162171,6.805666127377565,3.3381999561339057,0.5264463658554767,0.0037206128623435,10.420113748084654,5.126726515041258,6.416300565474615,1.697446586352561,1.0485698403923556,2.3267675306908835,0.1264501481245523,1.5076349320378528,0.1144736432326387,5.91690956534616,0.0471807845520332,0.12315884108335,-0.0738276630435121,-1.0959766131469852,0.0443764093238162,-4.759214893563278,29.0,67.8933,2.0,3.0,0.8900000000000001,44.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0788,7.973064340359665,8.753221820838597,9.519584911799951,10.269788316448995,11.000763690658928,11.709255333798795,12.392262365115684,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_54,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,35.0,79.904,4.0,17.0,2.96,120.0,5.384982816670418e-06,0.0048503555823137,0.1299729673929038,0.6980586657241558,1.5560702568345743,2.227950338423488,2.603965385157505,2.784117445916391,2.8523466515941047,0.4491890336227465,0.0016632877056843,3.3786411713128565e-11,1.140206952645986,0.1501983775577144,0.828061355676165,0.0025078927501305,23.12220481405531,54.47070431594679,1.7505850597675772,4.00157762228809,0.5011607088423563,45.67326801436345,-20.402127472241247,-47.68722000793993,-1.5562938210665724,-4.00157762228809,-0.1655224415768129,-41.39886076294136,14.0,34.914,1.0,0.0,0.48,22.0,-34.0,-78.89605999999999,-3.0,-16.0,-1.18,-89.0,RSM0788,23.363027861885264,23.441708701388485,23.50214545949073,23.54954611109624,23.58739206320465,23.61807970329918,23.64330100745564,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_55,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,35.0,79.904,4.0,17.0,2.96,120.0,5.38451156200652e-06,0.0048499772075269,0.1300382152860512,0.6985162108194163,1.55706615004796,2.229324418044719,2.6055380758531124,2.785782405976052,2.854046098958276,0.4494763272265042,0.0016629846661754,3.3802008031598007e-11,1.141308395147465,0.1504067730417864,0.8287710665152161,0.0025095798933273,23.12474764697023,54.47634035177597,1.7509074455703209,4.006328119367847,0.5013070287107606,45.683617933968925,-20.402885248559464,-47.68840436762503,-1.5564887028266952,-4.006328119367847,-0.1660087142246217,-41.40640559360916,14.0,34.914,1.0,0.0,0.48,22.0,-34.0,-78.89605999999999,-3.0,-16.0,-1.18,-89.0,RSM0788,23.36297522555884,23.441666132408905,23.50211024362145,23.54951644325939,23.58736669412301,23.61805773912118,23.643281790481268,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_56,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,35.0,79.904,4.0,17.0,2.96,120.0,5.386351684793574e-06,0.0048514967931247,0.130003653718482,0.6981914655882732,1.5563293980339816,2.228299859682548,2.6043636167666206,2.78453865047839,2.85277650181514,0.4492805328944328,0.0016636595007786,3.3803266275919316e-11,1.14030966340047,0.150250284700119,0.8280853976406967,0.0025098487987141,23.1219363481411,54.46996301682323,1.7506281356359614,4.003463994185943,0.5012131631876259,45.6755509091159,-20.40081767502685,-47.683881777315314,-1.5562625161278012,-4.003463994185943,-0.1657204277066335,-41.39950727993637,14.0,34.914,1.0,0.0,0.48,22.0,-34.0,-78.89605999999999,-3.0,-16.0,-1.18,-89.0,RSM0788,23.36207221008999,23.440911957082644,23.501471473087143,23.548968812669283,23.58689221197797,23.617642807254363,23.64291595384804,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_57,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,35.0,79.904,4.0,17.0,2.96,120.0,5.383158384435017e-06,0.004849318733074,0.1300252342575581,0.6984885257782023,1.5570575183329995,2.229344680647928,2.605577648727092,2.7858318445210752,2.8540993663421914,0.4494503087182556,0.0016627443264332,3.3784363462713736e-11,1.1414610592387775,0.1504108266111276,0.8289020376322473,0.0025097931040814,23.125297792172507,54.47765617087056,1.750926061065114,4.005371208562369,0.5012673848697562,45.68405660419784,-20.40471401438643,-47.69290888389747,-1.5565986483661085,-4.005371208562369,-0.1658476665668918,-41.40885352481971,14.0,34.914,1.0,0.0,0.48,22.0,-34.0,-78.89605999999999,-3.0,-16.0,-1.18,-89.0,RSM0788,23.36333377970264,23.44196422137988,23.502361886716137,23.549731657723385,23.587552821720628,23.6182202801256,23.64342494511684,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_58,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0634619260119197,0.3452450741356529,1.0871643905167023,2.2488248440052607,3.3137547927598683,3.988110251647733,4.333813568783418,4.493502663354474,4.553101801184066,1.84004063710543,0.2547527836191194,0.0041302621296796,5.2545824927131175,1.3343180245637252,3.336884716876108,0.1146419039029126,11.942232914442696,27.601713942281684,1.0593880068499195,7.060124098113555,0.8890789788830281,33.29538506029049,5.390221134522556,13.668619719916864,0.2193481148206532,-6.62930525651582,-0.8890789788830281,3.893988839266162,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,14.376194631714055,15.229727041111566,15.99150917378671,16.67457271892057,17.28933648716901,17.844295335215364,18.34650887848664,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_59,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0665848085160521,0.3953139555867032,1.4081686733362713,3.147519649631988,4.809191390455558,5.877555488469155,6.428171575029194,6.6830176922664215,6.778202142911049,2.5232841639271832,0.2841681023826644,0.0043513901130954,8.571069196433196,2.782810415100181,5.296210678182982,0.5883126541900997,5.388257540593094,12.028413565390116,0.5159928391585151,4.509971703998948,0.6786142864393442,18.924101985657902,1.220709773921361,3.2629348521566923,0.0757159991941579,-4.386505035228441,-0.6786142864393442,3.514412586905408,27.0,63.9046,2.0,1.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0788,13.78915488684416,14.675888795010248,15.475549670984853,16.19728477413093,16.849441690189405,17.439497344538264,17.974091156910873,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_60,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0700321613598942,0.3557685634296759,1.1842057541640525,2.7168485830125872,4.2416478285315975,5.233556954855762,5.746315834960985,5.983843315836797,6.072583223685194,2.155503325068376,0.2647471630138402,0.0050486036514865,7.175068314886326,1.903237932351211,4.597211794443579,0.2786716704697065,6.254225394361036,14.28601353849074,0.5620438795721405,5.271517685422489,0.7607418351501274,19.87114990452257,0.9922716561596908,3.1795643502065185,-0.0318123880706239,-5.271517685422489,-0.7607418351501274,-0.913819462974181,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,14.728169698374954,15.537067592390814,16.25663637904544,16.900273876158618,17.478817449201664,18.00104228490862,18.47410487697007,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_61,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0652623255943061,0.3481057278813762,1.0906011141278642,2.2434280209080084,3.286760306519053,3.94158276193654,4.275717301149273,4.429730722809157,4.487159612524787,1.8395625210398725,0.2575870308272418,0.0043743213238797,5.232670547864308,1.3404868727961892,3.3161113133668607,0.1151688094965668,6.581776114389734,14.991651844876747,0.5921004607170128,5.487426157691216,0.7736153051257885,21.02949707547078,1.0690183194756564,3.3555279815049146,-0.0303526242045123,-5.408148162274867,-0.7736153051257885,-0.7563608967826005,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,14.215334504974056,15.076291910585883,15.843870797561214,16.531672004267595,17.1505502823178,17.709306448718078,18.21519685602596,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_62,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0677063610165758,0.3599655466469628,1.2150963567609294,2.769357258889566,4.317016006055936,5.328511179515707,5.8530024649052015,6.096336167583097,6.187305211245586,2.200953826625106,0.2651893849624107,0.0047000369591581,7.340376146470237,2.100941395160886,4.6141579937717,0.29782687762966,10.927763142217986,25.51801159555349,0.8851101646746179,4.7684596196662445,0.8216835542431665,27.831905722942672,6.405386266982954,15.987403859619056,0.3890864453998799,-4.538154155278527,-0.8216835542431665,10.471075548326844,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,13.703103969549463,14.639446492816903,15.469066900150802,16.20767742914586,16.86819328934073,17.46121471886964,17.995484737571136,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_63,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0658670996474916,0.4045217663116227,1.486789816439675,3.3319505413709325,5.046682716675266,6.1268612733894114,6.677814225973477,6.931622363471911,7.026234780009126,2.67540576795532,0.2882362518944801,0.0042229118604612,9.113316157816238,3.205047778365075,5.505340627349952,0.7225064445389255,4.60705549597724,10.170005498053282,0.447049586286783,4.251004549417531,0.6828466480365295,17.296681248353146,0.6457617697738844,1.868234417232407,0.0575626385683152,-4.196069284140644,-0.6828466480365295,3.664638078206776,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,12.98898023851904,13.956501708610482,14.826527295672218,15.609862050158616,16.316173594650866,16.954008697445982,17.53088847932109,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_64,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.007052733334325,0.1563766155681736,0.9022217051695708,2.442117569186543,4.03746624138191,5.093483719788924,5.643450614469296,5.899021668701876,5.994625492331047,1.86758428150958,0.0928564205514484,4.431239740545675e-05,6.659887708535214,1.9032327809642429,3.8568993104866576,0.1834291490312601,10.79236169724927,25.22152144710268,0.9571651547430448,4.69002179838569,0.6828266287505296,27.697185442932017,7.342810587523257,17.83788935460054,0.4683048751918689,-4.512012920134243,-0.6828266287505296,10.587075658640847,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,15.71038754245822,16.753454844751356,17.650155343295246,18.42104592973263,19.084837513603787,19.6579257837674,20.15435184196906,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_65,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.063456612317157,0.3452543989661502,1.087287289559421,2.2491311064817934,3.314216189622945,3.988661359171156,4.334407801964357,4.494116139774174,4.553722348736229,1.8402837338576896,0.2547528488258998,0.0041295310740629,5.255512248711325,1.3348029570640507,3.337233815225753,0.1146986291206836,11.943246404728626,27.60411492449001,1.0594816981216075,7.060086533647606,0.8890058345440506,33.29724085625984,5.391459433226561,13.671449940435664,0.2194232724621035,-6.629100253581007,-0.8890058345440506,3.895195958177199,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,14.376340183691456,15.229847954092092,15.99158124202993,16.674587851694657,17.289295319214848,17.84420288742828,18.346372055992624,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_66,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0665897023825434,0.3953219869576423,1.40811356192186,3.147239185395084,4.808619612631733,5.876776641153569,6.427282474944496,6.682076972028393,6.7772420608141495,2.5230971988823274,0.284177760454993,0.0043519609918553,8.569496022569432,2.782368398694666,5.295242048288291,0.5882053903253546,5.38782576568506,12.027424685048237,0.5159802658223396,4.510083815075639,0.6785583289687261,18.92312237729888,1.2203062415892367,3.261960337328669,0.0756627278362291,-4.386643369135902,-0.6785583289687261,3.512008547785014,27.0,63.9046,2.0,1.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0788,13.772004630675289,14.660476059568884,15.461648221608357,16.184703757556672,16.838018797112518,17.429093768364144,17.964587684229574,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_67,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0700376728200088,0.3557802084559948,1.184186174724479,2.716733538931986,4.241443076393641,5.233295565161478,5.746024982998581,5.983538694214893,6.072273432586668,2.155423108851939,0.2647580849353981,0.0050493962768103,7.174911780142933,1.9031417923338545,4.597052763491632,0.2785549655565827,6.254470860688365,14.286563260179076,0.5620999665788384,5.272201410300341,0.7607440594470443,19.872355519418985,0.992039994271893,3.179047900113018,-0.0318674649963803,-5.272201410300341,-0.7607440594470443,-0.9165045857136734,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,14.722463902688222,15.532357588025222,16.252714828625944,16.89698438322329,17.47603987662526,17.998682947760404,18.47208979962105,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_68,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0652763190727994,0.3481348391965823,1.0906366467395725,2.2435239608940134,3.286941832611849,3.941820551442152,4.275982872163037,4.430008739696718,4.4874422029415895,1.8396310976543653,0.2576144686279407,0.0043761819385988,5.233153435373976,1.3406623282521408,3.3163225723522616,0.1151727386651892,6.581495723264637,14.990876276522052,0.5921257254173928,5.488065448701919,0.7735500328505802,21.029942015271462,1.068263880122153,3.353679618049225,-0.030450905363699,-5.408676636660841,-0.7735500328505802,-0.7602400620667551,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,14.22031165978992,15.08089362172738,15.84811631870994,16.535588603899,17.154167306793628,17.712652382749884,18.21829803011128,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_69,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0676911812356443,0.3599185559195104,1.215001880519839,2.769246096885272,4.316930884612198,5.3284577929525945,5.852969012871373,6.096312662696957,6.18728553149746,2.2008423787694595,0.2651514275960788,0.0046979800841445,7.3399981628793585,2.1006641661264656,4.614042639047428,0.297766211721006,10.92692920118346,25.51592857755046,0.8850656010949679,4.769181407538694,0.8217498462529074,27.83147325638715,6.403754267321813,15.98363394356214,0.3889494580494632,-4.538956635727111,-0.8217498462529074,10.467408249794484,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,13.70788943497874,14.643811488348708,15.473036837122184,16.211283701739944,16.87146911377042,17.464192739148295,17.998195731446252,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_70,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0659025789750787,0.4046887616714897,1.4872546598241194,3.332687825247472,5.047556120255216,6.127788670599731,6.6787624036141,6.932578807263042,7.027194108821817,2.6760666211533604,0.2883599769451719,0.0042269321696769,9.115498488841434,3.206792647551929,5.506227413064455,0.7230432752746072,4.604706870930808,10.164369364095078,0.4469210412908903,4.251524183200793,0.6828327490197331,17.293083029269518,0.6431670758883398,1.8620356373957072,0.0573643575958488,-4.196819016644356,-0.6828327490197331,3.658599099943066,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,12.988833427814518,13.956058128981558,14.825885191535908,15.60909014963503,16.315320084289127,16.953107540150757,17.52996373247709,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_71,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0070489564176501,0.1563440866446133,0.9022485706210271,2.4423802412948943,4.037946113130984,5.094087163154195,5.644112957001229,5.899710241372442,5.99532370085829,1.867759563749603,0.092830833964211,4.426891488605675e-05,6.661143055750243,1.9037074810120729,3.857477247651892,0.1834322434839144,10.789116890876562,25.21351010642596,0.9569977355200724,4.692288099271566,0.6829216953809778,27.69435404461909,7.337130725344742,17.824674951760986,0.4678011754124232,-4.514468217024847,-0.6829216953809778,10.57247444085136,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,15.68381120727136,16.729922025252378,17.62926691077753,18.40244308973653,19.06820751468705,19.643000365390883,20.140902745474783,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_72,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0634528139559569,0.3452459724476531,1.0872176138899192,2.2489176436110547,3.3138744132981306,3.9882466459131978,4.333958725657265,4.4936519167490605,4.553252591940665,1.8401219590046791,0.2547464209543314,0.0041290156408431,5.254971351208325,1.334435072602542,3.337134864329536,0.1146644685308731,11.941836468459355,27.60076819302659,1.059375120527953,7.060493468316686,0.8890936068251444,33.29497534492099,5.389525441143559,13.667019494381655,0.219279290887431,-6.6297483290947055,-0.8890936068251444,3.8916213075027337,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,14.386948410195975,15.23927899254756,16.0000203695506,16.682184163504875,17.296169343298846,17.850452838842017,18.35207871999998,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_73,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0665792273813293,0.3952614641827439,1.4079788482704587,3.147200036121511,4.808784484880161,5.877098093451093,6.427689030139597,6.682523660558437,6.777703843515429,2.523003460537636,0.2841341366066556,0.0043508415794297,8.569806687579097,2.782194730827801,5.295531930629354,0.5880839767963509,5.391320796608385,12.035743290492798,0.5162106240861147,4.509647111819745,0.6786012991560586,18.9293675827637,1.2242258841183928,3.2712110352183013,0.0759757897488353,-4.3859251431579,-0.6786012991560586,3.521148380958921,27.0,63.9046,2.0,1.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0788,13.740459047517964,14.632528954041362,15.436695736182935,16.162275461678217,16.817742400978943,17.41067020278777,17.9477733363447,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_74,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.070017447820175,0.355745764440288,1.1842572627195396,2.7170450207318013,4.241970348487567,5.233959773047382,5.746760779886673,5.984308015019816,6.073055347861448,2.155649805136839,0.2647222715830195,0.0050464887909686,7.175898893071721,1.903498631158896,4.59768900449956,0.2787273763952665,6.254009424977231,14.285451475221082,0.5620305810151236,5.271717873948895,0.7607630362812434,19.87115729117224,0.991796515833166,3.178460694109805,-0.0318496585168018,-5.271717873948895,-0.7607630362812434,-0.914651092445154,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,14.74318382301616,15.550287895965528,16.268354846329096,16.910725629803522,17.488192761588973,18.009496125885356,18.48176437277133,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_75,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0652790999126643,0.3481603800034331,1.090731142263512,2.2436552467614006,3.28707525913882,3.941951777120804,4.276113207154597,4.430138823737054,4.48757222571837,1.839755934995856,0.2576303753830418,0.0043765141326083,5.233290204911048,1.3407493524630731,3.316443959666849,0.1152219937260282,6.582227957888433,14.99270655258468,0.5921453995883497,5.487442092957637,0.77357376957883,21.0304155552339,1.0695423008352365,3.35670998293504,-0.0303237612399638,-5.4080656968448215,-0.77357376957883,-0.7560050737570716,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,14.22045260665952,15.0808693605749,15.847983107057802,16.535383514753597,17.153915036186515,17.71236964945343,18.21799636261557,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_76,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0676711189988397,0.3599043476229395,1.2150558745335522,2.769279384449833,4.316853330322044,5.328281444061973,5.852735672365274,6.096051756154962,6.187014149845809,2.20089785971206,0.2651282342912431,0.0046951180297675,7.339554790897423,2.100852731103167,4.61360580457181,0.2978529396799829,10.927184197166186,25.516587116461707,0.8851012038068169,4.769286753117777,0.8217264400642219,27.831786032423786,6.404095200567936,15.984436125485562,0.3889581493161498,-4.539088139468732,-0.8217264400642219,10.466779125250438,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,13.70368220886448,14.640247580196036,15.470006758406711,16.208699869900524,16.869260493244212,17.462300975476126,17.996572404347855,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_77,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0658688136947904,0.4045295787489794,1.486794635906851,3.33196974917877,5.046701943604867,6.126869961952713,6.67781458856076,6.9316182718209705,7.02622893251202,2.675420230869498,0.2882439640525066,0.0042229537551938,9.113537710722346,3.205111475162268,5.505515546463027,0.7225877387745816,4.606586118799159,10.168950033892768,0.4469909855007895,4.250414344072399,0.682806351967969,17.294948304834477,0.6457784760120934,1.868231083186261,0.0575842597521338,-4.195492460679354,-0.682806351967969,3.665712903631524,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,12.993920429694922,13.960818836563476,14.83033909413439,15.613259264276726,16.319226287277463,16.956771385435083,17.5334040567408,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_78,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0070478782545919,0.1563327588220264,0.9021403859197252,2.4420812691649365,4.037493698095708,5.0935489013990525,5.643533406890826,5.89911215387874,5.994718775144678,1.867525939432648,0.0928244768976771,4.4250427435720266e-05,6.659850657810453,1.9031618769101768,3.856892662324822,0.183393643332003,10.789910116811829,25.215693377555525,0.9569494858880042,4.689260964793076,0.6827365402863174,27.69173735350058,7.340765023798497,17.83296578865751,0.4681811202592683,-4.511288814254927,-0.6827365402863174,10.584844556494822,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,15.694540766687847,16.73943785791654,17.6377236668135,18.40998149546983,19.07495127733768,19.649056239990543,20.146361975903,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_79,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0634429537142441,0.3452431605544069,1.0873210046950836,2.249207897532857,3.3143179530963227,3.988775531443266,4.334527713792732,4.494238593245477,4.553845735035549,1.84034801436587,0.2547364995600966,0.0041276868150071,5.255989607909318,1.3349398752176302,3.337559729722417,0.1147256723130367,11.945786866055558,27.61024384086223,1.0596341907724232,7.059092186914004,0.8889690920111186,33.300773242602965,5.395032232279712,13.679790132765762,0.2197236135465857,-6.627879504840463,-0.8889690920111186,3.903903039698655,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,14.376069643966671,15.229589194409368,15.99137934752819,16.674461960438002,17.2892497070506,17.84423372871242,18.34647149662513,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_80,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0666180414839355,0.3953759917420678,1.4081555562603096,3.147314892234773,4.80879813827518,5.877047483495211,6.427607152876433,6.682427829801982,6.7776028895912415,2.5231507921768626,0.2842296519628551,0.0043558042854204,8.569860961265851,2.782543809705098,5.295424919348468,0.5882486973545339,5.388660959544385,12.029336963075217,0.5160483694794997,4.510466291592432,0.6786291362156226,18.925483607830216,1.2207650919708808,3.26308746780077,0.075697284835096,-4.386985999651606,-0.6786291362156226,3.513195645276089,27.0,63.9046,2.0,1.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0788,13.79251521963666,14.678935189633911,15.478320526343554,16.19981272341358,16.85175468937712,17.44161947566926,17.976043254709527,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_81,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.070022917659005,0.3557577946228956,1.1841663985721953,2.716661164801024,4.241294395439882,5.233094099332687,5.745796179602134,5.983297286615305,6.0720273299631895,2.155374707584423,0.2647346048000701,0.0050472540533097,7.17447628965745,1.90298585377181,4.596836048513945,0.278549892917802,6.25368773098303,14.284803774014092,0.5620024263402247,5.271069230923369,0.7606546924775147,19.869337195385988,0.9922527316634148,3.179432621158445,-0.0318116607807286,-5.271069230923369,-0.7606546924775147,-0.9141558538473782,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,14.721592047273386,15.531464465559491,16.251823233545768,16.896107269734717,17.475184718265947,17.997854060179687,18.471289605216544,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_82,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.065269002549975,0.3481298049783742,1.0906874148806531,2.243628768774519,3.287062034755622,3.941942720739585,4.276105075376115,4.430130860488526,4.487564285032365,1.8397226798400463,0.2576052800784273,0.0043751889226229,5.233770649810271,1.3408426474408892,3.316653121206447,0.1151882238347919,6.580826743259644,14.989277060499928,0.5920483339161324,5.4877835196017575,0.773585503013007,21.028510076740325,1.0676458713194694,3.3522431274771183,-0.0304690626842132,-5.4084512428304095,-0.773585503013007,-0.7595988042717756,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,14.216053189580546,15.07698779198473,15.844536935201685,16.532305119587527,17.15114931391689,17.709871652763635,18.215729254408565,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_83,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0676871265832641,0.3599140699318726,1.2150054802030406,2.7692859461113186,4.317030798926147,5.32860586972211,5.853144146188996,6.09650076001341,6.187478537374635,2.200865659182875,0.2651462333808833,0.0046973924649435,7.340130160998724,2.100780910934968,4.614074848050264,0.2978017543684463,10.92727769128518,25.51673431245089,0.885110711033904,4.769822156694349,0.8218202080937741,27.832859395366803,6.403548179681461,15.983249680596783,0.3889131180064585,-4.539664117506069,-0.8218202080937741,10.465943639406207,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,13.704717313130466,14.640810560937544,15.470225348590024,16.20866560339043,16.86903989069584,17.46194315009657,17.996114159391865,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_84,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0658842336954927,0.4046011389765054,1.4869691186088054,3.332218939234388,5.047043249444903,6.127289926481586,6.678280233704676,6.932106096144722,7.026725197410825,2.6756434354051524,0.2882963530126252,0.0042248252248334,9.113978241027896,3.2056126272094003,5.505637030437774,0.7227802991725448,4.606645069750445,10.168978813712952,0.447064004665033,4.25151753822038,0.6828504989833052,17.296758535246884,0.6451982014414679,1.866835703681761,0.0575124501513192,-4.196666163576031,-0.6828504989833052,3.662454127266904,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,12.985602866061775,13.95348220950043,14.823822378209591,15.607432318855391,16.313984233820644,16.95202941064456,17.52909311369566,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0788_85,RSM0788.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0070503430100163,0.1563492264283939,0.9022205686701136,2.442283139602394,4.037784224471966,5.093882421245896,5.643885496936284,5.899472101112414,5.995081543655053,1.8676869099119229,0.0928364087854188,4.428811689521538e-05,6.660684550401251,1.9035018241546613,3.857260528717655,0.1834030150057035,10.788314458053428,25.21169325595333,0.9568891143541444,4.690804604617497,0.6827823416954961,27.690992559745467,7.337612149634727,17.82561882001001,0.4678867893054105,-4.5128928974270055,-0.6827823416954961,10.575911183039784,41.0,98.8186,3.0,1.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0788,15.72349004602808,16.765103367462338,17.66055487510796,18.430367571469684,19.093225139120328,19.66550101040646,20.161217877702786,[In]O[Co]O[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]sql.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In]O[Co]O[In], topology sql"
RSM0321_0,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0036861834807638,0.2126479857541027,1.49645256521099,4.055492299818328,6.618220841402341,8.295515361589997,9.166408427879288,9.570777189293342,9.722004867273526,3.115522063269037,0.1123306222286056,3.003378930155217e-06,15.104592330126646,5.013171784237117,8.88665898446303,0.6007963197555249,20.77210801451517,44.30402630188484,2.0685193300622537,5.913085286107366,1.3277428960701212,58.93581303178191,-20.77210801451517,-44.30402630188484,-2.0685193300622537,4.679737344986793,1.3277428960701212,-58.93581303178191,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0321,19.487958285652063,19.95390669383848,20.323375850117028,20.620734450869563,20.863284103323547,21.063523403974383,21.23063253894489,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_1,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0036814313025222,0.2125932896108706,1.496308050634223,4.055282798404312,6.617982724524279,8.295251845077745,9.166127626683425,9.57048731735621,9.72171142967341,3.1153271179065003,0.1122902197050799,2.992271426041529e-06,15.101936773018345,5.012565585364546,8.885407437694914,0.6007260448461058,20.77158046923764,44.302901897214966,2.068449158745696,5.912911118219324,1.3278446484059558,58.93353876601053,-20.77158046923764,-44.302901897214966,-2.068449158745696,4.6808262607968105,1.3278446484059558,-58.93353876601053,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0321,19.39080508562179,19.871278063405065,20.25238025024562,20.559164427964884,20.809436498804136,21.016069259287185,21.188523188150413,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_2,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404004087104597,0.5239209247477293,1.6354708349001743,3.684132466294476,5.751233610318104,7.116163847828394,7.827763234869972,8.158725356091415,8.282582194809681,2.93190392690762,0.4033130924164436,0.0199083989430706,12.374579852562404,3.833721952517484,7.791583556140209,0.608516938826029,2.4939882167177,5.425447387514092,0.4379802208544511,5.997829983553309,0.2886118423372804,18.18867437622308,2.4939882167177,5.425447387514092,0.4379802208544511,5.997829983553309,0.2886118423372804,18.18867437622308,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0321,3.223391687962072,3.880934371492332,4.564460582053338,5.25552017290618,5.939697837254495,6.606620240020642,7.249462087068807,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_3,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404227204592078,0.519405946315297,1.5362963383968948,3.4279120777359315,5.423406482338167,6.777732018819488,7.492857732112474,7.827308678251214,7.9527548381464355,2.7227252454789843,0.4026908511772515,0.0198412567130124,10.807882822294689,3.2226158538025578,6.847394965876946,0.5516931788750855,2.554296665664618,5.538063599342875,0.427903783724966,5.827658055691445,0.3145024880080926,17.2460110523272,2.554296665664618,5.538063599342875,0.427903783724966,5.827658055691445,0.3124328701445621,17.2460110523272,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0321,2.962418597191059,3.550975665710827,4.173706502747289,4.814251643451279,5.458766987727624,6.096446145298531,6.719457473407439,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_4,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410135880080764,0.5098731944460401,1.5701211976793708,3.772764414687469,6.2044005548980525,7.877588622057861,8.764924011785578,9.18055157786423,9.33653406202106,2.932672795755762,0.3969948454138284,0.0200913735662385,13.31825827788476,4.001534809040184,8.263906823968231,0.5941190570332886,4.621231129575529,9.994493970063074,0.7512734077217352,10.43492455624,0.6216155839333798,29.567194536262125,4.621231129575529,9.994493970063074,0.7512734077217352,10.43492455624,0.6189020976390117,29.567194536262125,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0321,3.045634362172604,3.638314935716642,4.263852678305714,4.906076561459393,5.551280392423075,6.188774770758945,6.810836835743904,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_5,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140664007269761,0.5153730716336723,1.5224343287561035,3.187785219885124,4.748330790400775,5.747203215942439,6.261968712563736,6.500323849770736,6.589372195281809,2.595827266759993,0.3993743779193289,0.0200140719872166,10.14894069970898,2.952162437744167,6.492246138280356,0.4146309216962533,1.9819574750759623,4.349385696802228,0.3846440773501186,5.059110093876911,0.1634066003519724,17.015298039128492,1.9819574750759623,4.349385696802228,0.3846440773501186,5.059110093876911,0.1634066003519724,17.015298039128492,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0321,3.31843572898396,3.969732746060637,4.645113238874592,5.326988062215916,6.001646829995463,6.659220506940401,7.293204018808563,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_6,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1842247696878487,0.7133067744969649,1.9576477192849544,4.055690660311843,6.2890660646998136,7.837504514378619,8.66507241017556,9.05428512385924,9.200613738093164,3.2775253208649207,0.5505577732077143,0.02966289188758,14.470534855745694,5.021624234773646,8.69010941233547,1.219351323901536,4.59061186898084,9.87115622613656,0.6714950731324167,8.64973206459158,0.6003122325854433,24.61424165555723,4.59061186898084,9.87115622613656,0.6714950731324167,8.64973206459158,0.5821825319692483,24.61424165555723,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0321,2.895009382245661,3.413119423063774,3.955392286398008,4.512957714926766,5.077402510482574,5.641411229227419,6.19905993317478,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_7,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.183874792481798,0.6355541369649187,1.8192346275051832,4.049359141200599,6.362290556833046,7.9030655255802,8.708000570619369,9.082544686668191,9.22272631048632,3.2201457914427216,0.4992778945413394,0.0314680211563194,15.74265407724644,4.822246369397336,9.456215610764495,0.762474107289541,3.984851827483607,8.584923873242703,0.6052665368023651,8.06823024759888,0.534737752509026,22.769578670591933,3.984851827483607,8.584923873242703,0.6052665368023651,8.06823024759888,0.5242597228162613,22.769578670591933,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0321,4.148235264796305,4.81693986639606,5.474461227987611,6.1132631982128665,6.728213831780184,7.315996987924148,7.874668228040151,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_8,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1347139904580414,0.5284843640082214,1.7099007665825685,3.8783905920932695,6.049354636561903,7.473564514833906,8.213387623804245,8.556892155327034,8.685350725860214,3.08402211793551,0.4018835395863234,0.0182709507600133,16.118757709432195,4.244874836012734,9.754086904052835,0.3466320784916374,2.57651883297457,5.641994744059693,0.4882963909468708,6.482889960549536,0.2330664427408461,21.298153201408105,2.57651883297457,5.641994744059693,0.4882963909468708,6.482889960549536,0.2330664427408461,21.298153201408105,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0321,1.8837022325772883,2.3732450959742195,2.922035772586494,3.513967219510079,4.1331165846444575,4.765451752792874,5.399583393050791,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_9,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417763487773456,0.535047365262259,1.6377855056921322,3.4930651604070264,5.270579681351665,6.425953610754589,7.025957413537036,7.304739326903257,7.409039411988034,2.8287014847165324,0.4105824480096752,0.020211141667164,10.840374075861217,3.424786215297684,7.11088903959042,0.8172317363052813,2.4659079556082606,5.410079235381825,0.4772788691226536,6.284138908589488,0.2056061768319289,21.079981060544444,2.4659079556082606,5.410079235381825,0.4772788691226536,6.284138908589488,0.2056061768319289,21.079981060544444,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0321,3.300393254617916,3.8901630809106895,4.507710731188779,5.138099824243128,5.768926576593533,6.390632198558891,6.996370305735228,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_10,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413722887119654,0.5983424996951334,1.846270136359269,3.823273047629296,5.616793627922579,6.741788144699964,7.315674379247026,7.580177833972066,7.67880487909934,3.129186260037072,0.4512449877929224,0.0186555106655364,14.154776476710303,4.449299990855445,8.324793805891295,0.6632331094140167,1.8320095826467169,4.022457530756453,0.3576967470928888,4.693583559389827,0.1445709466986356,15.878724383268636,1.8320095826467169,4.022457530756453,0.3576967470928888,4.693583559389827,0.1445709466986356,15.878724383268636,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0321,3.540463587361234,4.03488745940164,4.558951952533576,5.103914916520069,5.660610510415047,6.220659016964269,6.777101613774754,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_11,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403021882670207,0.5687524817667905,1.6263637663551571,3.35852048469979,5.059353761860155,6.183248292506786,6.771292024444572,7.045392780005059,7.148074461149663,2.733670918292753,0.4363961601313565,0.0184277226713764,12.402837056317088,3.235475103276559,7.468882183063568,0.2716822257514177,1.5945917154947986,3.4593756117449783,0.2707897260116243,3.7609095235877934,0.2022637189238056,10.98232224333971,1.5945917154947986,3.4593756117449783,0.2707897260116243,3.7609095235877934,0.2022637189238056,10.98232224333971,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0321,3.658098408556814,4.183158095806277,4.734955179703803,5.303605200379144,5.879459573486296,6.4541467729255855,7.021029897533497,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_12,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403735011512606,0.523472799179055,1.6347203658252891,3.684192755854952,5.752114279140256,7.117465744561193,7.829246642604042,8.16028483320049,8.28416882650017,2.931631519251575,0.4030157492709868,0.0199046952624264,12.383417825881844,3.834928720498327,7.7945735295948335,0.6073323569272635,2.500136494086788,5.438724630371268,0.4389651054686977,6.0118573378363696,0.2895011671148123,18.2268749123749,2.500136494086788,5.438724630371268,0.4389651054686977,6.0118573378363696,0.2895011671148123,18.2268749123749,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0321,3.2205138046863206,3.8783230043080135,4.562109731655783,5.253407897525801,5.937782023455753,6.60483824206348,7.247732839391593,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_13,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404858084541425,0.520163000982234,1.5398479340168885,3.4354577784262985,5.434225537549314,6.79043069515652,7.506462788541964,7.841319640805461,7.966915254745542,2.7289167791121045,0.4031438544060166,0.0198552236543876,10.842854614927134,3.240576347009867,6.865544882031772,0.5557504655022203,2.554562529232685,5.5386401442860445,0.4280104222689802,5.832364103400307,0.3149418495744538,17.250609114372708,2.554562529232685,5.5386401442860445,0.4280104222689802,5.832364103400307,0.3129217675194337,17.250609114372708,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0321,2.960063922861909,3.548530040482041,4.171179312414028,4.811659203513681,5.45612919975494,6.093783897271998,6.716790809978187,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_14,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409860927688608,0.5098671585318373,1.5702396904763158,3.772708169580712,6.203958097782537,7.876880842986526,8.764085003857126,9.179653921340364,9.335614886542494,2.932723216529173,0.3969734137124879,0.020083444055432,13.32002854756634,4.001458983533632,8.265917299762098,0.5950753981684969,4.619861025697744,9.991581867700033,0.7511381019659832,10.43473617772288,0.6215891636529074,29.563603293574133,4.619861025697744,9.991581867700033,0.7511381019659832,10.43473617772288,0.6189069444874887,29.563603293574133,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0321,3.047512450554091,3.6404174429343854,4.266145767162076,4.908521160200342,5.553835390939657,6.191399565391877,6.813493068690372,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_15,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406511961008092,0.5152039501732033,1.52229032601872,3.188484770210971,4.750140058941236,5.749778790543377,6.264943353051343,6.503483079520841,6.592600282832937,2.59616680535578,0.3992570362400855,0.0200122991824822,10.160540121166576,2.954350547319488,6.497990642928025,0.4138720552752716,1.982696783782648,4.3509750909105644,0.3847552803007542,5.060739026188681,0.1635353354219132,17.01938570213956,1.982696783782648,4.3509750909105644,0.3847552803007542,5.060739026188681,0.1635353354219132,17.01938570213956,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0321,3.318858514496258,3.970352736770282,4.645861935198517,5.3278131292912425,6.002509550003551,6.660092998183383,7.29406668586936,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_16,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1842075611183521,0.7136560813454633,1.958842725101668,4.057721966323921,6.291614732470566,7.840334180686722,8.668041817097885,9.057318954911793,9.203671647491168,3.2793086546005634,0.5507818607699698,0.0296415887629112,14.479534257201784,5.027796829098282,8.695959038669914,1.2233873907704895,4.593402979234417,9.876917221624025,0.6717391386674084,8.657685722309822,0.601558750906523,24.61599496751672,4.593402979234417,9.876917221624025,0.6717391386674084,8.657685722309822,0.5834733791819268,24.61599496751672,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0321,2.8864600235455105,3.404307626382248,3.946407762651395,4.503890907977617,5.068337406773304,5.6324214104887655,6.190207077592356,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_17,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1838760093877132,0.6357148129768577,1.8196380658126576,4.049047780938029,6.361169171838946,7.901534613785068,8.706301864736288,9.08077854788862,9.220936646281972,3.220149531583747,0.4993656199836103,0.0314681399276141,15.745154763177448,4.823447840292146,9.45781174102967,0.7629130546949403,3.9795425038978216,8.573681210234398,0.6046434908929023,8.058596273032231,0.5336406262891474,22.752229339303543,3.9795425038978216,8.573681210234398,0.6046434908929023,8.058596273032231,0.5231717069642638,22.752229339303543,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0321,4.145865571584121,4.815180519068153,5.473212868956055,6.1124284888292975,6.727705421126017,7.315740351916279,7.874601722632858,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_18,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1347389273384723,0.5284570752404124,1.7112972301499372,3.8853406523376735,6.062048093218431,7.489715458781303,8.231223695003585,8.575485123365418,8.70422264851379,3.088814420565672,0.4018694940871922,0.0182783197536303,16.15945067231946,4.25615593894505,9.781340891094342,0.3499500717370395,2.584292214939577,5.659108103421081,0.4898583684374629,6.503159162439283,0.2335996342904051,21.36862471592453,2.584292214939577,5.659108103421081,0.4898583684374629,6.503159162439283,0.2335996342904051,21.36862471592453,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0321,1.8845051333343723,2.374359883754868,2.9234093606821028,3.51554626559884,4.134851293700979,4.767297796173525,5.401502641421463,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_19,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417932050730037,0.5353934967098789,1.6401576823071853,3.497796674329233,5.276981401717728,6.433366401538768,7.033893808576487,7.312920142713906,7.417311937139179,2.832705917151066,0.4107463187422961,0.0202166394227549,10.86028416527598,3.436265005027792,7.121952154510379,0.8227770894799149,2.4659186903479697,5.410250068734914,0.477424530144255,6.285314931502012,0.2053172908774388,21.090123658358007,2.4659186903479697,5.410250068734914,0.477424530144255,6.285314931502012,0.2053172908774388,21.090123658358007,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0321,3.301051384778812,3.890787766997262,4.508319361730823,5.138703679436632,5.7695315028265055,6.391239768152631,6.996979043001201,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_20,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413358273094178,0.5978554027138473,1.844247739887108,3.81929924735202,5.610999873555956,6.73471701199534,7.307903851148244,7.572073810856093,7.670574699311491,3.12587773558213,0.4509454657402894,0.0186496322526746,14.147767038961408,4.440785035311138,8.319773469768219,0.6572989265326109,1.836952415650848,4.033364643032194,0.3587144081379291,4.706667680754281,0.1448666081961417,15.9252464914008,1.836952415650848,4.033364643032194,0.3587144081379291,4.706667680754281,0.1448666081961417,15.9252464914008,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0321,3.5360313880949388,4.03088695414294,4.555340493724917,5.100652305701843,5.657658679362724,6.217982356016182,6.774667315448415,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_21,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403433483188935,0.5688012812322263,1.6266092631741471,3.358894659561587,5.059805390189619,6.1838556126214765,6.772024896959613,7.046194981391179,7.148904413190084,2.7340271804773373,0.4364386554914397,0.0184405421704194,12.40853323528043,3.2370557688954773,7.47285909593037,0.2724705010581167,1.5949985729976643,3.460339149628056,0.2709367367291452,3.7624924668308255,0.2021841827544961,10.990578706051842,1.5949985729976643,3.460339149628056,0.2709367367291452,3.7624924668308255,0.2021841827544961,10.990578706051842,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0321,3.6543990825244834,4.180186707684922,4.732584044523989,5.301726157985347,5.87798244682548,6.452997462876271,7.020148280175096,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_22,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1375081126319862,0.5254785011624644,1.6229866937434263,3.5095343743969547,5.3128194028234885,6.469419423772142,7.064345899447956,7.339416347633288,7.442107805397269,2.831754861386311,0.4026780432125749,0.0190578617915285,11.378403647122896,3.39063213264308,7.3427973210933635,0.6427604878468809,2.724492304795059,5.974283317638731,0.5242644190893214,6.918607657509631,0.2340459492620036,23.07604781227721,2.724492304795059,5.974283317638731,0.5242644190893214,6.918607657509631,0.2340459492620036,23.07604781227721,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0321,2.936181422792819,3.532447794524677,4.162486568383727,4.809902208557752,5.460845112461122,6.104561711947123,6.733322519347961,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_23,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167549366461641,0.9181923748319776,2.2773952083305145,4.315480286867967,6.28072420260289,7.56801868888044,8.238360099339321,8.550110003557228,8.666781929160337,3.586918391377914,0.7174223728307447,0.023054551555001,13.426675391352983,6.3566612331377295,7.794630812859089,1.8703434953911613,2.0384340870062005,4.474551395352044,0.3968927303626805,5.213575929907645,0.162929299287733,18.13002504228461,-1.930493216620605,-4.259279520498532,-0.3968927303626805,-5.105635059522049,-0.114895611966143,-18.13002504228461,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,9.471423351041818,10.230612918248802,10.964544005514538,11.67079627196316,12.347209020268648,12.992135572719752,13.604543447578902,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_24,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2274827983599691,0.9438413713670194,2.237739424851267,4.115377934297157,5.939835839318006,7.145419876652083,7.776029223004121,8.06988881244372,8.1799560804123,3.443941223045639,0.7425129350319576,0.023949678542706,11.72263664054482,5.947659437772689,6.730160300084207,1.8200539619130445,2.471079943893196,5.374555125482058,0.4325046054142679,5.931116787207339,0.3006916985306131,21.00549182775134,-1.8539661102494829,-4.142933619053724,-0.4325046054142679,-5.314002953563626,-0.002061525259374,-21.00549182775134,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,9.188892752428083,9.91555531418848,10.62891284564332,11.324230572995884,11.99722937172199,12.644415888605227,13.263214809733563,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_25,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1023240316317857,0.7267561437541213,2.216734273101409,4.233544487617298,5.94121996422737,6.988407933059784,7.5188802908940815,7.762799583819322,7.853675014237595,3.5494345188640626,0.5237846210243493,0.0037110609345364,13.269117413421164,5.798162349221268,8.229773764578672,1.756444334984874,1.1437707211287902,2.516926947921402,0.228754144225758,2.973803874934855,0.0800639504790152,10.293936490159114,-1.1437707211287902,-2.516926947921402,-0.228754144225758,-2.973803874934855,-0.0800639504790152,-10.293936490159114,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,7.456139492883266,8.25689100521941,9.044604437774415,9.815357261166987,10.565289624533508,11.29080893477182,11.98884091514612,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_26,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2284166895839674,0.9435882525741428,2.246271905280542,4.271000874734224,6.352593017616609,7.763834267257792,8.509799571309431,8.85891558814472,8.989904313011607,3.529371686978628,0.7432165028089271,0.0242164490560841,13.079376795278796,6.321084459601373,7.515183393334361,1.82957076725444,2.268910629881886,4.917398987959854,0.3801510269369897,5.310118845377803,0.3093610449526268,18.947573688149227,-1.5325996394880113,-3.448022038322613,-0.3801510269369897,-4.573807854983929,0.0432553260967342,-18.947573688149227,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,9.137189548385228,9.866373209823086,10.581624971534309,11.27865579789837,11.953386839230086,12.602391446363274,13.223093830926246,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_27,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1017339844428344,0.7233208621843458,2.2318345408186704,4.37307394905423,6.250125854544572,7.413724212968559,8.004320050513517,8.2759187570036,8.377097679331168,3.6348246700395865,0.5211342681360279,0.0036693800473514,14.52976873709394,6.117697953604026,8.984312582266753,1.766890640870865,1.4145026034904025,3.112589549115841,0.2828056949323376,3.676948162949104,0.0992143163523882,12.728626916098763,-1.4135543458329731,-3.110696826831613,-0.2828056949323376,-3.675999905291674,-0.0987496701002479,-12.728626916098763,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,7.44124227940529,8.228894048637883,9.00779167507468,9.773067938519617,10.51999123369186,11.244255486149443,11.942239134700063,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_28,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171675139531984,0.920123399175076,2.2665568142525343,4.15078241781299,5.8477166941256025,6.918730576089892,7.4671957716285,7.720438343248135,7.8149374771448,3.4951457112521824,0.7185432658878124,0.0231695066689033,12.241354322558802,6.029957336912385,7.1160388310782805,1.8595024755518,2.2768690967988223,5.010368844698842,0.4553738193597644,5.919859651676938,0.1593808367759174,20.491821871189405,-2.2768690967988223,-5.010368844698842,-0.4553738193597644,-5.919859651676938,-0.1593808367759174,-20.491821871189405,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,9.49832520769651,10.248508571575442,10.976205072998024,11.678057756484767,12.351309885594004,12.993931629774371,13.604639910283076,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_29,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2014241140828189,1.0654586036757654,2.9282989157664794,5.282412158835028,7.288438881924404,8.548470398556647,9.1966403624796,9.496916474895787,9.609146051791011,4.488696202564829,0.7931222199466363,0.0198557303423377,17.79935485787694,10.774205298961038,8.977065557738035,2.687399414022808,2.0660327668749106,4.484560670220104,0.3492827471980623,4.6904956038677215,0.2466127172920021,16.806421356560737,-1.3269128576988365,-2.9817926098269045,-0.3293063777166871,-4.171115758986773,0.0027140853378,-16.32698848900773,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0321,7.147374724768926,8.04270559937285,8.932690484345075,9.804370958378742,10.647427696318086,11.454384799149157,12.220386728069366,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_30,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1558947584780952,0.8061921210524509,2.2013754802733376,4.54478897573792,6.967412196180415,8.598802691043932,9.457072625565486,9.857804536798495,10.008007491284454,3.6802584822686266,0.6127477498756622,0.0100823580088589,16.719347656385,7.049192765664578,9.580720577112034,1.6825024045408925,2.1452273404488817,4.464738481059875,0.1807512322380874,3.589325212869142,0.6155806514386387,14.33542539055284,0.3388397154117956,0.4896885800092642,-0.1805262927693298,-1.107732491164798,0.4890615370560404,-14.330026843302656,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0321,6.51188029212064,7.276423651228439,8.036175275473406,8.786440850370463,9.522915941182266,10.24164221669245,10.939112120974157,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_31,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2271822293931402,0.9209901268489978,2.136737530406919,3.875485017920962,5.502961876264133,6.545219166379102,7.081212652665853,7.329009481581916,7.42151440514403,3.2601935670440936,0.7291495577613826,0.0242786713674002,11.1114604356166,5.113890377521525,6.866593957232036,1.663823242358893,2.1709627314457007,4.7164825185262576,0.3747124511719645,5.168662340821417,0.2768755909472677,18.3490626806678,-1.5761617802739447,-3.5292598199874323,-0.3747124511719645,-4.573861389649661,0.0145768751268927,-18.3490626806678,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,9.083572666704889,9.803315494739476,10.516542012665422,11.216824635980307,11.898189106334558,12.555712064114836,13.185727448394072,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_32,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1550555183747419,0.8129234870752085,2.129723135065401,4.247966419512308,6.468493018851786,7.983053454114975,8.78474239749182,9.160047503861303,9.300871218641973,3.4650170459680067,0.618226267006848,0.0098201874923818,14.378095399570569,6.304727668713649,8.197805816738823,1.5393969095795712,2.468315071390643,5.197428563107692,0.2664763878582608,4.600126174256729,0.5988818840987178,17.671103114118434,-0.196448807191965,-0.6665229194350234,-0.2664763878582608,-2.328259910058052,0.4123484125979353,-17.671103114118434,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,6.993186515988011,7.716785131059161,8.439964604762112,9.158802805178034,9.868801789600797,10.565352410505128,11.244159566321295,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_33,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3088801885858294,1.2008755635456412,2.780665668139236,4.840257326203713,6.641819198775786,7.76539237683654,8.337740765045712,8.601397531582585,8.69968851304712,4.133764080566694,0.950065272057576,0.0378764936150349,15.26031065055005,9.33769093524062,7.573621934486945,2.341890338200331,2.5599944398818923,5.627741777037177,0.5064993228983262,6.611989023068503,0.1898112668763779,22.92995865737599,-2.5049987891013696,-5.5180392029884,-0.5064993228983262,-6.5569933722879785,-0.1647382591524502,-22.92995865737599,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,9.420642278151048,10.258137452469375,11.07236125304956,11.854072361522956,12.596956371760276,13.297315149801165,13.953564557385723,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_34,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167556540113729,0.9181746181220792,2.277431175469428,4.316759046026177,6.283573634935472,7.571839051972703,8.242648763125969,8.554606744624955,8.67135491473055,3.587655453048713,0.7174222248458096,0.0230519560270189,13.439127799403703,6.3616203752582665,7.799748417399414,1.870329551175413,2.039121548592344,4.476116188642931,0.3970806570331895,5.215766804857861,0.1628828571863626,18.13722088362551,-1.931685021739551,-4.261850151314063,-0.3970806570331895,-5.1083302780050674,-0.1150736027368697,-18.13722088362551,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,9.458818524849,10.219331167391482,10.954356417161204,11.661534566330486,12.33874318434518,12.98436057548824,13.59737129987574,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_35,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2275433410674782,0.9440674141441416,2.2394201717379136,4.120133936039826,5.947527068829617,7.154933428302246,7.786457252996468,8.08073408885221,8.190956205839939,3.447579260347977,0.7426555765536639,0.0239651647035061,11.751661100555449,5.961246050992212,6.744110634539847,1.822482334603059,2.472503167175045,5.377823489174864,0.4329206178906301,5.935868110300086,0.3005735181541831,21.020928193687823,-1.856703011731256,-4.148819826229754,-0.4329206178906301,-5.320067954856297,-0.0024709143692575,-21.020928193687823,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,9.184942748955477,9.911584009029674,10.6249198097853,11.32023257276218,11.99324953415761,12.640477879409174,13.259339942569625,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_36,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.102340926681795,0.7268407385111303,2.2169605772848744,4.234144725522748,5.942481514366688,6.990233641409271,7.52103231317781,7.765109974528735,7.856045684780862,3.549864044362393,0.5238477575528688,0.0037123650137477,13.272192376391702,5.80021330163051,8.231451134169202,1.7569376299578328,1.1448457596405996,2.519292626068641,0.2289691519281199,2.976598975065559,0.0801392031748418,10.303611836765397,-1.1448457596405996,-2.519292626068641,-0.2289691519281199,-2.976598975065559,-0.0801392031748418,-10.303611836765397,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,7.465669784961406,8.265893541956798,9.053128549203526,9.82343719442374,10.572951086726563,11.298073055565885,11.995726548957313,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_37,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2284036634632576,0.943597100140293,2.2462271941939367,4.271101476682976,6.353094726505499,7.764647306754879,8.510777684336235,8.8599701375804,8.990987352717616,3.5293760720148817,0.743220650540861,0.0242098357537421,13.086249149292067,6.322437073021155,7.519318959428219,1.829406346458577,2.27094270637347,4.922040178058987,0.3807210615898458,5.3167111990922375,0.3092185109454595,18.969134763664268,-1.536267909524988,-3.455924757177599,-0.3807210615898458,-4.582036402243755,0.0427137678325677,-18.969134763664268,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,9.137692203306996,9.866856533396962,10.582063785945572,11.27904070593961,11.95371681935324,12.60266968891138,13.22332537977626,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_38,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1017434254308122,0.7233637306669443,2.2322705856614995,4.374839206511729,6.253614097653486,7.418505650281807,8.009819172561155,8.281761261548871,8.383070214361375,3.636046884056842,0.5211624099968456,0.0036702157436346,14.54074686384898,6.123819517156201,8.98871381934156,1.7676649567834224,1.4148963667076864,3.113448210406011,0.2828767867901255,3.67791066102869,0.0992579674275025,12.73201756934094,-1.4138715011935694,-3.111402578839834,-0.2828767867901255,-3.6768857955145737,-0.0987557833255852,-12.73201756934094,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,7.438304482151337,8.226472106867032,9.005791824481491,9.771412942293388,10.51861808973164,11.243113067097632,11.941286030552623,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_39,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171419121133833,0.9201188754706384,2.2672808196743435,4.15343172456208,5.85230158073378,6.924541602834032,7.473632013114309,7.727162591683715,7.821769092577806,3.497072941086889,0.7185117631442763,0.0231660416635904,12.25921246327899,6.038488703407477,7.123558064493355,1.860608714634394,2.2785061553074883,5.013971277074205,0.4557012310614977,5.924116003799471,0.159495430871524,20.5065553977674,-2.2785061553074883,-5.013971277074205,-0.4557012310614977,-5.924116003799471,-0.159495430871524,-20.5065553977674,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,9.49773346909038,10.248736268707846,10.977050494024054,11.67936488031602,12.352956963141736,12.99582329561381,13.606701447791592,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_40,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.201462554535236,1.065530502411317,2.928665055663973,5.284090932764806,7.29205382819714,8.553553069720545,9.202525850784603,9.503181999171234,9.615554742382658,4.489802038294437,0.7931859514167395,0.019863613546232,17.815264480825377,10.779581178269211,8.9860979941736,2.687961385945229,2.06595682681248,4.48446834063382,0.3493563179363129,4.691773071421832,0.2465632143828605,16.8098075961452,-1.3281744120323251,-2.984493945268592,-0.329469929832648,-4.172740925781992,0.0026103834705516,-16.332534281657242,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0321,7.143776061922132,8.039131657620297,8.929133572023183,9.800837129680849,10.643930516616228,11.450940497086734,12.217011111864627,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_41,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1558683727261015,0.8060840582549511,2.2014640586799654,4.545988791140365,6.969889175030481,8.602113753584671,9.460810880710262,9.86173954131543,10.012015807880456,3.6810102537634073,0.6126621656489913,0.0100794637007061,16.73253007062147,7.053086034597096,9.587806675092054,1.6826424347102489,2.145728511258888,4.465622917378901,0.1806260635293586,3.5881832392635853,0.6159340869406916,14.333502486191096,0.3409700996301093,0.4941581851523682,-0.1803256187963971,-1.1047895204371634,0.4895048558121296,-14.32629181260002,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0321,6.523468661683312,7.285136596780364,8.04264260518125,8.791144821079815,9.526235237288711,10.243877651959822,10.940503416045932,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_42,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2271993135453228,0.9210125189330052,2.1369969928565853,3.8767637272571056,5.5053012364519205,6.548196159086095,7.0845026512524365,7.332440999030829,7.424998263629449,3.261072384280773,0.7291721779116471,0.0242835325104293,11.121525021978792,5.116089189965539,6.874070125895134,1.6641577772464302,2.1721099935978856,4.718957127578896,0.3748930153286376,5.171254116226987,0.2770585646728247,18.358410274562186,-1.5768201596884917,-3.5307586190957463,-0.3748930153286376,-4.575964282317593,0.0146334539427785,-18.358410274562186,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,9.084812027587528,9.803692313550142,10.516241496346936,11.215999590765138,11.896964508853502,12.554189200069224,13.18398768235709,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_43,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1551498529638229,0.8131726523157012,2.130592691865117,4.249549323326843,6.470197898400706,7.984623958059712,8.786192243832996,9.161431058923002,9.302228412714133,3.466421685094881,0.618427576827024,0.0098329363601519,14.391804833357137,6.3111806262138535,8.204337203438639,1.5407318059086288,2.4697963829748284,5.200665241805958,0.2667501500647527,4.60379758349285,0.5990324918300994,17.683984916169198,-0.1977051176726985,-0.6693105204469577,-0.2667501500647527,-2.33170631819072,0.4123073867847727,-17.683984916169198,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,6.99125319295859,7.715181664691623,8.438466295805227,9.157272354740526,9.867161529829,10.563564819023629,11.242213469158417,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_44,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.308935847965454,1.2010716821532672,2.781077885826212,4.840441702199726,6.641281212998001,7.764197799415116,8.336159735891714,8.599627679000191,8.697846595065908,4.134102988480006,0.9502195421599527,0.0378848834791044,15.263563203241771,9.341280714468484,7.573273839768754,2.342807069340013,2.5618600231628945,5.63183977045626,0.5068653838203594,6.61678309372577,0.1899538580636769,22.946607792221663,-2.506793815040699,-5.521996570510337,-0.5068653838203594,-6.561716885603575,-0.1648519106105743,-22.946607792221663,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,9.409873439353712,10.248380430273391,11.063386112419694,11.84572779558543,12.589141454576955,13.289960815317135,13.946621705099828,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_45,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2132611494241537,0.8960079884406923,2.193875501024517,4.075338691029139,5.790708549866659,6.872291051601511,7.424880288344412,7.6796679771424925,7.774682115163764,3.415393784044697,0.7027904803823857,0.0221935871087965,12.573367404823191,5.559625716994416,7.699740520550921,1.7311423974912823,1.930011051473024,4.247089679341066,0.3860022102946048,5.018028733829863,0.1351007736031115,17.37009946325722,-1.930011051473024,-4.247089679341066,-0.3860022102946048,-5.018028733829863,-0.1351007736031115,-17.37009946325722,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0321,9.261989428567317,10.016326543575,10.750225951921635,11.45991922566044,12.142096128464656,12.794222411894276,13.414625212075457,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_46,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0987759458132842,0.6352142932648995,1.993606325997952,4.143642387562181,6.240384878751706,7.622270902592829,8.344104358284765,8.680274104466852,8.806158762962351,3.3711702579426888,0.4603750495375902,0.0048744402412263,13.183144889863303,5.391066672609542,7.866904441915146,1.3513241871469328,4.702538410772529,9.955879607064118,0.4570704331254408,3.824105891311015,0.6242371028500618,17.879655420070712,1.6326311804594076,3.473174624626308,0.1098040649326893,-3.441118529689444,-0.4710421582014336,2.074063884252802,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0321,10.088807237044714,10.866484534640865,11.615335509358577,12.33473792797786,13.023227208392496,13.679260650530995,14.301649953549044,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_47,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3724113148024652,1.1777093181755036,2.63103340606698,4.852829990508307,7.005850632923987,8.415803655305599,9.149841502078663,9.491191245313884,9.618938868463191,4.055658903759654,0.9607799254447582,0.0616998594575832,16.5172485959137,9.028024409000292,8.612154249897362,2.224063882708344,7.438790213487622,15.91768356337245,0.913570821149709,8.760361237920252,0.7935621585121181,32.85891930321385,0.529408377768625,1.023237478619667,-0.1651963780540784,-8.650094299168124,-0.7494553830112679,-10.84310335869828,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0321,11.920485542340767,12.833424161841323,13.661909069961697,14.413653866161042,15.095699620727045,15.714548849837367,16.27622615919775,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_48,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0988174906490739,0.6352412744361224,1.993786197266312,4.144726134948703,6.242454611499845,7.624973352830029,8.347131769262706,8.68345187335568,8.809392703777593,3.371896067227545,0.4604189781283925,0.0048789314753121,13.19673356769978,5.394195954340338,7.874432832914938,1.351349125060704,4.694705722126953,9.93896750808226,0.4559974543812827,3.815586316471488,0.6238301901712585,17.847530312859707,1.631125283485254,3.470076016526449,0.1098899257069331,-3.431572801785548,-0.4702247842968824,2.0831615924560234,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0321,10.094424839762471,10.872110267354923,11.620856681990244,12.34007064844304,13.028315208558244,13.684070821917208,14.306167051070638,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_49,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3723421934185314,1.177660957479521,2.6315851076892485,4.854165374101494,7.007348965526548,8.417192711107923,9.15112698104883,9.492419756550708,9.620144760973986,4.056792690453097,0.9607020075661924,0.061677837527697,16.527542615337364,9.033104187113384,8.618046282890088,2.2255147517163,7.439326585361837,15.918849305651714,0.9136552696763536,8.761207984436448,0.7936045857824275,32.86162391731624,0.5290501251192514,1.02249149992863,-0.1652351748843263,-8.651242269271647,-0.7496182997165066,-10.84382244093498,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0321,11.918006748994236,12.83219711181522,13.66157565935228,14.413943621726055,15.0964136677999,15.715543133225625,16.277397298198675,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_50,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1023312014016575,0.6139706498905557,1.814851339700697,3.5686851228783927,5.192209873273256,6.241618499690291,6.786181708264156,7.039184774436748,7.133840742451502,2.953471739129192,0.4518001458337042,0.0053100056499952,10.42264282294747,3.803789377730783,6.719172221855461,1.0696099809783064,3.385238991453998,7.2448424331220815,0.4770477982907997,7.201621377780396,0.6569667294017799,21.69667294017799,-3.385238991453998,-7.2448424331220815,-0.4770477982907997,-7.201621377780396,-0.6569667294017799,-16.46715092308599,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0321,11.11488740807824,11.903814113912247,12.649188585702827,13.352312565277284,14.0145647184862,14.637257774126404,15.221684284431037,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_51,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0702740739929142,0.3905821180391162,1.5255356112958147,3.8669391443029113,6.3373431067717245,7.995681362972534,8.865971793352834,9.271856892024694,9.423921185363428,2.9883326053739503,0.2817631881531177,0.0050183706980474,13.930209791666424,4.246366594206705,8.588648122997927,0.6968701101011844,6.658566566422027,14.16322120105129,0.7604159031937896,8.726422960413185,1.0526866492059652,27.67117366792732,-1.3046054576764814,-2.7341204222121727,-0.225019792319235,-8.726422960413185,-1.0526866492059652,-6.819075675028553,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0321,13.694685954546395,14.50812002758238,15.2373399018155,15.894458182996363,16.489239100137,17.029594775985505,17.52199973281935,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_52,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0673730756701819,0.3795715948829558,1.3970727382801311,3.4781790479792494,5.733552279193537,7.272258703206583,8.085441904839291,8.465794779209661,8.608458110373075,2.6904427862610087,0.2753142095086908,0.0045763057792686,11.862321994109362,3.345965161649576,7.3357541372952975,0.4838064738580259,6.499720045784921,13.820243810900914,0.7284015052717985,8.029266350885237,1.0030030793939928,26.481868197020905,-0.7694990630194914,-1.587941078991557,-0.1553794069952555,-8.029266350885237,-1.0030030793939928,-4.450463732325991,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0321,13.716938224867349,14.488598973979672,15.189943885167851,15.8293463830789,16.413739994069093,16.948909573937105,17.439745840285436,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_53,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0687709256489517,0.3828504613044172,1.4793701357790172,3.811440968241949,6.345507651029012,8.069007094830157,8.978114880833084,9.40296194791078,9.56225635541935,2.925547826915577,0.2767034586441224,0.0048230585417293,14.390368441427556,4.254493785466748,8.908745217509901,0.6753673136362169,6.116417172600979,12.992899604926931,0.6758696032403622,7.58405273879955,0.9784102443282798,25.06703609939084,-0.8639888263018765,-1.7805408140822372,-0.1506267686104519,-7.58405273879955,-0.9784102443282798,-3.860336915387652,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0321,14.939120281272524,15.57399132377333,16.15646194904609,16.693207263862092,17.18904252384493,17.647670199761066,18.0721183059714,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_54,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0735023787680041,0.4610567128314807,1.650749503218207,4.038974146456451,6.645839103536137,8.425586450599885,9.36517204750014,9.8043110948381,9.968963050238235,3.132128478795052,0.3307699276253485,0.0047119284992467,15.810002053500783,4.8074080470681615,9.801013565965231,0.7760660248701823,5.574242023644596,11.827901330497442,0.592760290876026,6.29359304830225,0.880288513203973,22.2393862949322,-0.2106002871771898,-0.3781353156604731,-0.0563961172292856,-6.29359304830225,-0.880288513203973,-0.4810879887537111,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0321,13.405901152170555,14.172399901571474,14.875110381928833,15.52131059790805,16.116475295259228,16.66501272130792,17.170685834979214,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_55,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0702642226876735,0.391014590357508,1.5274715138913444,3.8709308175948087,6.343102984097031,8.002503124436556,8.873319421448201,9.27944318725794,9.431595872886136,2.991618696347632,0.2820070131840416,0.0050150487604042,13.95242533040402,4.257764304612948,8.59947053469676,0.7001262455043197,6.652168123380667,14.149475675797122,0.759445229302754,8.711609912676048,1.0515772646969144,27.638272553726026,-1.2973413965451297,-2.718527062021301,-0.2239625566192003,-8.711609912676048,-1.0515772646969144,-6.780999953542384,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0321,14.038824050983749,14.8124836850534,15.50830559903057,16.13714620345549,16.70779139110804,17.22738962065401,17.701815996558036,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_56,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0674487265331768,0.3799602186286673,1.39886860409664,3.481087170345446,5.736418258113365,7.274813933078792,8.087788925070223,8.468037825428395,8.61066130725623,2.693133366919513,0.2755685515577417,0.0045863710684686,11.87519520769742,3.354386276927839,7.341618245521408,0.4856284808042497,6.504500419442542,13.83063948664678,0.7290633579769755,8.032070503501968,1.0029847649558257,26.495590605553783,-0.7645847131007063,-1.5776414283188598,-0.1550717873427918,-8.032070503501968,-1.0029847649558257,-4.449139480638075,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0321,13.786339431053907,14.547944902081076,15.241001891141858,15.873519672718176,16.452156713351936,16.982485565965405,17.469230346137156,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_57,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0687892072307662,0.3828482378241872,1.4795254468505954,3.8124518077247833,6.347439469553651,8.071484170136717,8.980849521118031,9.405809760206196,9.565145422424807,2.92621813092444,0.2767151060158031,0.0048256190647213,14.4019444190278,4.257511053781884,8.91394393371894,0.6759337150942533,6.109473599538895,12.977928148322212,0.6748947932168751,7.574092279118311,0.9777315638813152,25.03901246507666,-0.8634207113314493,-1.7791790478657783,-0.1502895043961304,-7.574092279118311,-0.9777315638813152,-3.842437951378532,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0321,14.75339792086385,15.413891672020126,16.017027602028506,16.570695071459763,17.080569526039497,17.550977109541485,17.985407591335,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0321_58,RSM0321.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0734638298448746,0.4607617674726833,1.6499661292675547,4.037471933372306,6.644048045538809,8.423847295241467,9.363527279272605,9.802724599154146,9.967400605757817,3.1308473766554723,0.3305456077375591,0.0047121080453736,15.80473354179266,4.804142583496144,9.79798717093995,0.7749653102071522,5.579888791389125,11.839974846471202,0.5934392373622048,6.300173427296427,0.880990666684917,22.261322988759154,-0.2102497740686741,-0.3774064361972354,-0.0564753356301597,-6.300173427296427,-0.880990666684917,-0.4856870659736064,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0321,13.482527328843489,14.237498287503596,14.931147858270505,15.570095354363422,16.159357672829287,16.703020441348496,17.204615427490992,[Ni].[O-]C(=O)CC(C(=O)[O-])N.n1cc(cc(c1)c1ccncc1)c1ccncc1.cat0,"linker [O-]C(=O)CC(C(=O)[O-])N, n1cc(cc(c1)c1ccncc1)c1ccncc1, nodes [Ni], topology "
RSM0198_0,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0056347000810637,0.2345430482414612,1.4063968098761963,3.594376984938949,5.763029046489494,7.182574723188694,7.920095133224595,8.262643978609269,8.390768577544486,2.796586742372871,0.1307818765203711,7.670741866837314e-06,11.634427090222983,4.12554158153865,6.758724931840429,0.5713442454561348,20.54774468295682,43.86628744144614,2.0799873567077203,6.2313906228407685,1.4131413123532213,60.79817677091747,-20.54774468295682,-43.86628744144614,-2.0799873567077203,4.667188634424127,1.4131413123532213,-60.79817677091747,0.0,0.0,0.0,6.0,1.53,0.0,-27.0,-57.68546,-3.0,-9.0,0.0,-93.0,RSM0198,19.569889342965062,20.025384790591424,20.38878357213797,20.68276340914432,20.923589554515765,21.123120865400843,21.29013968280045,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_1,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0058069756771649,0.2362788760727991,1.405205607631958,3.6026106885956057,5.804408736251713,7.254213299563076,8.009351358633221,8.360446625842998,8.491822018150694,2.798138612477969,0.1321961320606338,8.288741033819128e-06,11.625397287070935,4.111144642187197,6.794680568912715,0.5807432785426312,20.599268372922257,43.97488279541415,2.085313447142852,6.235929230976136,1.40331857492557,60.921788832797965,-20.599268372922257,-43.97488279541415,-2.085313447142852,4.592665977224051,1.40331857492557,-60.921788832797965,0.0,0.0,0.0,6.0,1.53,0.0,-27.0,-57.68546,-3.0,-9.0,0.0,-93.0,RSM0198,19.54287819162647,20.003211198274503,20.37047680419479,20.667550648673824,20.910859991412103,21.112393139985564,21.281034403366,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_2,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0040178391347087,0.2281949693320383,1.488839384724055,3.815115449731264,6.049812227828836,7.482956516879677,8.220178034060613,8.56108359991371,8.688362869083408,2.975956759916609,0.1219764084397727,2.961209723195689e-06,11.710078612018348,4.5585993797353535,6.560076292044046,0.634414888335378,20.15055301846577,43.01676182036012,2.0274458765722523,6.077269070659932,1.4625427587445816,59.028536237938354,-20.15055301846577,-43.01676182036012,-2.0274458765722523,5.303423232778492,1.4625427587445816,-59.028536237938354,0.0,0.0,0.0,6.0,1.53,0.0,-27.0,-57.68546,-3.0,-9.0,0.0,-93.0,RSM0198,19.57393057499413,20.045234092257747,20.417340394176417,20.715749266974846,20.95841731887037,21.15823151264761,21.324606863165343,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_3,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1341384740095646,0.5543565538944232,1.557665039979121,3.378279191379008,5.321101956337046,6.643429482380887,7.341570407634181,7.66795472025739,7.790349094754194,2.6962503533343867,0.4267048505155945,0.0167011042208758,13.223873576850975,3.331373456619522,7.985781257253756,0.2121771602056843,2.6918565929205083,5.837871829187899,0.4552503206534191,6.333859158147861,0.3442818326244655,18.4082394811368,2.6918565929205083,5.837871829187899,0.4552503206534191,6.333859158147861,0.3442818326244655,18.4082394811368,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0198,4.326814937011423,4.90919022402499,5.5083562860578645,6.113430771812448,6.714987768504029,7.305689646476678,7.880366032742822,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_4,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422353391817139,0.5727506866817903,1.6882664874248636,3.632942857517766,5.628036310720182,6.975670228187162,7.687372014262722,8.020388716401948,8.145331718955903,2.918811424937824,0.4390209933864729,0.0189574649848117,12.605042475967728,3.800710082343811,7.572116013067925,0.4106654647516754,4.151603006210005,8.953303092869247,0.6532949607029256,9.377962691833408,0.6225352864454664,24.972632218154764,4.151603006210005,8.953303092869247,0.6532949607029256,9.377962691833408,0.6225352864454664,24.972632218154764,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0198,3.4551140120070407,3.95187794621513,4.485352784191364,5.043667772682016,5.615331408350361,6.19036735346913,6.760802300153473,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_5,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1392614990628728,0.5722932288909606,1.637288308673576,3.428818433407029,5.2461822369222455,6.465820162453438,7.107698886138053,7.407557700379996,7.519983457480131,2.7741476085055927,0.4384008712579028,0.0180247387695322,12.10437982097299,3.2484764454064847,7.371678894277305,0.3433372867566343,3.391913704797368,7.346862849532547,0.5646887541051142,7.909423737638281,0.4506101846877397,22.56864426337115,3.391913704797368,7.346862849532547,0.5646887541051142,7.909423737638281,0.4506101846877397,22.56864426337115,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0198,3.911383825102616,4.421513118765692,4.962627812408997,5.523959896739886,6.094886380901002,6.6661945703603145,7.23061329815321,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_6,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1358195228132647,0.5639576078673386,1.5478998913802648,3.1093440849267746,4.692554201619906,5.76851812305322,6.3394719438742655,6.607275911373759,6.707856697309056,2.542181127036751,0.4327489206392421,0.017089523604338,11.388088859889836,2.79907313265272,6.955474977823593,0.1634764033699828,2.54184374813407,5.507296699264723,0.4247976451960122,5.940224909702168,0.334624883177138,17.026616423050513,2.54184374813407,5.507296699264723,0.4247976451960122,5.940224909702168,0.334624883177138,17.026616423050513,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0198,4.265088005111783,4.840579056179749,5.436808385495852,6.041847317065347,6.645252822906592,7.23882814599289,7.816738170899514,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_7,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1344640737673615,0.5642682807300965,1.759032412534994,3.960635595269189,6.14952134281316,7.568793946180756,8.30080253807737,8.639504287539022,8.76597981056629,3.1537055730726657,0.4293931545896544,0.0168791701298646,15.374141854758449,4.521223222180901,9.27421940186007,0.7303100087583061,2.884914380923861,6.268582095147774,0.4945979968266956,6.553180554459307,0.314511879590194,20.320938359425725,2.884914380923861,6.268582095147774,0.4945979968266956,6.553180554459307,0.3105275861467342,20.320938359425725,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0198,3.9340152387857774,4.498387785786154,5.086681444352238,5.68713278617468,6.289275157404199,6.884733881934131,7.467388973024092,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_8,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412760733512784,0.561848164081062,1.562729216637575,3.2896436197629133,5.145124587566796,6.438504354878941,7.131683645851562,7.458111117582025,7.580900994423717,2.646649856828041,0.4336503161874945,0.0187640369893401,11.74319789780231,3.051722022891084,7.151036086200097,0.2086899397146058,2.9966831361177384,6.488207758132722,0.4954372963261442,6.905386174361097,0.3966206952601268,19.720678776112457,2.9966831361177384,6.488207758132722,0.4954372963261442,6.905386174361097,0.3958639978131705,19.720678776112457,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0198,3.440437910741573,3.952945212580497,4.500184492231024,5.070153902573935,5.651373978984474,6.234012392120378,6.810325109284348,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_9,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2068532319733519,0.5646689966974168,1.4173698495239706,3.108047929878045,4.973828019751173,6.266030870857112,6.954150782582538,7.277108667447861,7.398415542887348,2.465444282789084,0.4649435879110326,0.0434101016374126,9.591267251363025,2.8692903479943435,5.602337085074424,0.2785034076358891,5.2982540267896985,11.33908540745712,0.7066689668415691,8.4749645895688,0.6730160826907104,24.03697519008426,5.2982540267896985,11.33908540745712,0.7066689668415691,8.4749645895688,0.6388148474589724,24.03697519008426,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0198,5.501927446299204,6.466502541970615,7.371757356697451,8.206245460385864,8.96660781390486,9.654377773109106,10.273786095658185,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_10,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1813803880146734,0.7278478059143897,1.9484130669383308,3.9183127563620768,5.907386999148192,7.244275601450108,7.948830857638129,8.278210256847345,8.401743968005261,3.2012731441795497,0.5635105692467823,0.0250897665115154,11.530210693634478,5.120070702314066,6.732735589915999,1.6370534602893494,5.011900473502172,10.74028333422522,0.7053517991591972,9.663890427607411,0.7638556330248081,24.7397626189908,5.011900473502172,10.74028333422522,0.7053517991591972,9.663890427607411,0.7501728193410548,24.7397626189908,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0198,1.90159211258252,2.3446300945675502,2.847002855085793,3.3991484355793933,3.9905749761099423,4.610985502414078,5.25091002406146,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_11,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1342479315550381,0.5530319549657976,1.5285807873552404,3.2774351248366203,5.152119080554141,6.43540341167259,7.115191131936718,7.433501187550256,7.552948380738712,2.622108806835316,0.4264629410994024,0.0167019360467003,12.682211400702052,3.1212802784563736,7.683618518490564,0.1799269040233902,3.351989760325564,7.253511005555304,0.5395563671343148,6.981639558072318,0.3802175656847176,21.303340243200395,3.351989760325564,7.253511005555304,0.5395563671343148,6.981639558072318,0.3707331689987628,21.303340243200395,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0198,4.407240890204046,4.988386766197936,5.585674704931616,6.188439008275778,6.787410360738839,7.375363773238155,7.947210432152868,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_12,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420516572174837,0.5705464921936316,1.6494907249336677,3.512684206503655,5.43867570144583,6.747623065063191,7.440934352077916,7.765762783896434,7.887697493688528,2.8273000796975194,0.4382775097440733,0.0188727027365769,12.087044687339125,3.5095042816837867,7.317398416895626,0.3492689111121081,4.187694578023801,9.028677346513964,0.6565878748336073,9.44039757669266,0.6324218219075775,25.02267834823351,4.187694578023801,9.028677346513964,0.6565878748336073,9.44039757669266,0.6324218219075775,25.02267834823351,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0198,3.485027085906915,3.974158154292378,4.5005493009562265,5.05258585968258,5.618907132241714,6.189570946869915,6.756573667181339,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_13,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403686542932427,0.5660401337038286,1.5943307790975043,3.25234063516338,4.883818094367909,5.96868466410085,6.538565673585393,6.804712033516699,6.904495645553206,2.655029381656965,0.4352115455879042,0.0184509732821102,11.104885492822818,3.0083882085765308,6.744525268250915,0.2882637201459835,3.2944067346781853,7.122809995498881,0.5359889081516584,7.582317999891451,0.4610317941474329,21.04718989722516,3.2944067346781853,7.122809995498881,0.5359889081516584,7.582317999891451,0.4610317941474329,21.04718989722516,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0198,3.566726734585402,4.064078532328764,4.596340113870308,5.152387054056708,5.721223639069211,6.293218789795077,6.860649147681536,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_14,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.135301210910989,0.5536380188810829,1.5552029653153283,3.3139367779534865,5.1500814791774046,6.393122227212059,7.048987712838492,7.355643621908634,7.470653480049235,2.662161259156249,0.42635120222802,0.0170721788537928,12.37547233415948,3.0627211264711804,7.590910615967088,0.2407235777417196,2.526552666066262,5.490473599369415,0.4380590777976603,6.0310252884475455,0.3029551655288733,18.03137211550491,2.526552666066262,5.490473599369415,0.4380590777976603,6.0310252884475455,0.3029551655288733,18.03137211550491,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0198,3.872501279423004,4.40999339453491,4.9756979687250125,5.558093210216997,6.146480809968212,6.731980126777983,7.307848387368426,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_15,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1360741247351381,0.578395027448168,1.838256910895644,4.083782388147175,6.254665415692496,7.644842352043481,8.358340266055649,8.687833956434105,8.810777201122772,3.2706120146856352,0.4374588798863461,0.017218886897563,15.600318531900632,4.9416346989374,9.266772751122872,0.9034549626945904,2.592086481766729,5.62940042044581,0.4418975518988951,5.8864256352538575,0.2899412484711325,18.07561390767646,2.592086481766729,5.62940042044581,0.4418975518988951,5.8864256352538575,0.2866153453333149,18.07561390767646,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0198,3.9973794914105127,4.5777730716189104,5.178455454598436,5.787916086945351,6.396062451892213,6.994923490577412,7.578769014317282,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_16,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404148775945852,0.5599249584594009,1.557350289567203,3.3380716253932405,5.291856218761941,6.6603053848501625,7.394157512902346,7.739721408981832,7.869700114273903,2.668017131027616,0.4325337308604385,0.0184588268656107,12.120116515865604,3.0326317510599825,7.4325947687202545,0.1996323854132277,3.2645659473413264,7.078093923891234,0.5503407598481691,7.667292026126678,0.420842921851573,22.2010234526652,3.2645659473413264,7.078093923891234,0.5503407598481691,7.667292026126678,0.420842921851573,22.2010234526652,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0198,3.5740024719843104,4.09344231373509,4.645128392458449,5.217497651733195,5.799499774953779,6.381692591432114,6.956672839475247,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_17,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2069311914166727,0.5632357278970281,1.3924797875257102,3.075759530510906,4.968926859490612,6.2891911048799365,6.993884022298749,7.324896088540759,7.449266748208946,2.4304831673339726,0.4649367302575786,0.0433947783095603,9.547227448481785,2.7813533514418847,5.630704825478671,0.2721453358450259,5.283465714309539,11.309591943533228,0.7006655663096717,8.063219882467486,0.6270138486526221,23.84021979683765,5.283465714309539,11.309591943533228,0.7006655663096717,8.063219882467486,0.5879940674586871,23.84021979683765,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0198,5.559996543788803,6.530543198382405,7.4386276212691795,8.273598190679893,9.0328043956009,9.718346725396522,10.334881106106918,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_18,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1796790313186592,0.7305630253519935,1.9599131119986264,3.9356224236633306,5.906271843441137,7.219401624638422,7.90850190804253,8.230046995159555,8.350548381818777,3.219214791051111,0.5652034435706427,0.0238916996827294,11.465109661936044,5.167711921905259,6.676145635169441,1.6753252640876406,5.232344738508952,11.21309376634,0.7368473413112172,10.097105873043777,0.7972068499797378,25.859026311792544,5.232344738508952,11.21309376634,0.7368473413112172,10.097105873043777,0.7829827974641699,25.859026311792544,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0198,1.804819455261159,2.221058949680357,2.7008147623627625,3.236373012856776,3.818027923952077,4.435425266883218,5.078466015851095,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_19,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1528841964486998,0.7822928508515198,2.028704996301192,4.112974604309979,6.263223392288616,7.705852330002452,8.463195161481165,8.816449643482237,8.948801336423642,3.3437621696264954,0.6014806640569913,0.0088679329795573,13.084706544810087,5.800557143781665,7.5020572624090684,1.4484725581664195,1.8597651627229927,3.778474998870845,0.0578725128939279,1.8761600681964248,0.6481562984573479,9.11652047845955,1.5437372088884145,3.083039053004254,-0.0053330778729878,0.9494085181846408,0.6092217224822266,-7.8555740379569885,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0198,6.715642328312605,7.558127106746845,8.3927857122015,9.212151473604566,10.010103962068346,10.78168476343586,11.52305242027385,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_20,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0806228808347386,0.7249949660611195,2.471707858721508,4.93196260036888,7.15606757626575,8.588561852950637,9.332279474423864,9.678017509788717,9.807408724927232,4.080215701092522,0.499987746668417,0.0022289406770807,17.66779771529726,8.245087360774377,10.065245792745651,2.1993701630418427,1.6828959551880305,3.665455747017337,0.2998731329357502,4.081881018674033,0.1866265758041417,14.411942434655154,-1.315835374169472,-2.933408477262974,-0.2998731329357502,-3.714820437655473,-0.0232846172508832,-14.411942434655154,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,8.665860910333585,9.415407446207752,10.162390997531045,10.902232434850148,11.628563043097238,12.33501476992289,13.016168700686691,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_21,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3106540651822827,1.1754738486470608,2.6016638215866617,4.691778714251236,6.747475573227772,8.104644881150847,8.812848469473458,9.142388312085322,9.265737690641345,3.938782415162044,0.9424021479846878,0.036812224854088,15.536548226806808,8.351016981449405,8.38832079553973,1.988762631475132,2.407947795670097,5.295964829012412,0.4788257560234664,6.238553843857827,0.1737384765291935,21.61625409881981,-2.380309764564567,-5.240844921677098,-0.4788257560234664,-6.210915812752298,-0.1614395526872326,-21.61625409881981,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,10.116076770134368,10.945382232018972,11.7422722306857,12.500340269486111,13.215732137578629,13.886667285190704,14.512954378504158,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_22,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0844543547575383,0.7383083679248285,2.4823484847487056,4.882842464622612,6.991745573132136,8.326929331082463,9.01478497607242,9.333507104421647,9.452630285137904,4.06042795230609,0.5114960437404433,0.0024364526639566,17.3571747713954,8.014550729064844,10.1592578592836,2.21508746646962,1.703917488311424,3.73932649517984,0.3308587233547216,4.350787275149196,0.1378831760084805,15.13676190865155,-1.604669745235792,-3.541391758776953,-0.3308587233547216,-4.251539532073565,-0.0937179303398243,-15.13676190865155,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,8.607733377821159,9.340620046810658,10.072037719269016,10.797744231038344,11.511700511398496,12.207743993881229,12.880517003026617,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_23,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3113131392393281,1.1893938679307676,2.651870257855225,4.619601739454264,6.376694312912057,7.478628773111123,8.040909051590864,8.300094251728684,8.396742564642079,3.93716677991363,0.9508911103133808,0.0363955783988457,14.352825765963642,8.438065265423843,7.519876694490335,2.121520939803528,2.52041915843244,5.544964319735527,0.502775308790207,6.542621628754095,0.1788828215207974,22.657601967966336,-2.5073339294696297,-5.518867793353548,-0.502775308790207,-6.529536399791286,-0.173059894632347,-22.657601967966336,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,9.60188750236805,10.457350442961276,11.282382400032018,12.069129549062785,12.81278845281057,13.510984187303368,14.163176802807309,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_24,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0807080200609383,0.7262246315035469,2.4568094224147963,4.710479697748731,6.533822206535325,7.628725965086232,8.178997482525132,8.431260072562537,8.525136184013903,3.960733455078207,0.5008050397182597,0.0021894558730164,15.650871880227603,7.768756720196965,9.043397005391208,2.200996559001105,1.9166283165930893,4.170083388377221,0.3371991592514069,4.614221590604344,0.2206511772875367,16.32712476799359,-1.4553632759209796,-3.2501594545127994,-0.3371991592514069,-4.152956549932235,-0.0153882341884478,-16.32712476799359,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,8.329038756776221,9.158706192817776,9.97126501516312,10.76346215529316,11.530921543140757,12.269327640187653,12.975110154855424,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_25,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3102039315576278,1.1752453537149317,2.607554305586348,4.694040264891337,6.723347383774128,8.05006917719538,8.738426419393106,9.057839027030893,9.17725475970818,3.944830959313299,0.9416535314774176,0.036781942292649,15.57010019917795,8.42467960216933,8.43486795763834,2.0264612118283933,2.432128551010507,5.349992496357637,0.484454002046375,6.307760567381507,0.173945951362722,21.84972279598004,-2.412411469453244,-5.31066973475391,-0.484454002046375,-6.288043485824245,-0.1651718500697401,-21.84972279598004,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,9.701388268498928,10.56051931632256,11.38737330142368,12.174779727994135,12.918220747120904,13.615455056216682,14.266033246609506,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_26,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1543789166834439,0.8355771071146341,2.200975152765235,4.315876111146485,6.446359052926844,7.876657469093479,8.629789097307007,8.981717163206204,9.11368117030104,3.5473165843699244,0.6339873978628978,0.00873607008688,14.038706510079932,6.164696974145331,8.27278010917587,1.7006471530016591,1.9365913820488785,4.042314440695784,0.1746572951829792,3.333849743512713,0.534300736543665,13.176102813903976,0.1900184302190864,0.1988898384008312,-0.1746572951829792,-1.2072399312447477,0.4120406299155796,-13.176102813903976,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,7.028836678028526,7.815958686106176,8.594004082854887,9.358304338714197,10.104703672200475,10.829443951715318,11.529270531648663,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_27,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1591824906876247,0.7867140478210037,1.920578616679837,3.744334977915537,5.668777382677583,6.978661705292224,7.670238725506264,7.993523769967191,8.114748323777293,3.06723010425266,0.6095520258804078,0.0098400200850075,11.16233835629108,4.699163337041648,6.872732702706102,1.286758457767179,2.04369042258358,4.246264901243655,0.1653048049622142,3.3661288622812937,0.5994957287455414,13.524548212162186,0.3906423729614373,0.60864670955155,-0.1653048049622142,-0.9317960667362766,0.4837823652719915,-13.524548212162186,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,6.740173849575832,7.532488315450233,8.319843100594804,9.095793338740748,9.85500229292444,10.59296928438978,11.305987848508517,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_28,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1527976127152679,0.7826990158385084,2.0252671515419225,4.097513618344537,6.23616331394318,7.672114296135739,8.426331715278637,8.778218335257252,8.910072241876927,3.332807240285183,0.6018195799865924,0.0088102658330643,13.017598727388906,5.765892397616012,7.499961276622514,1.4536017650724893,1.7759830407977388,3.602307883278592,0.0531211143785938,1.94502294463557,0.6500628148589256,9.174550457987811,1.3953183741829296,2.7646354898300403,-0.023011818944368,0.8950762205686148,0.6137813136569369,-8.451927367566395,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0198,6.688046212790451,7.533287960293221,8.371148445909531,9.193987043412246,9.9954917893786,10.770540761171514,11.515172924418284,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_29,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0814230851059286,0.7271280001498096,2.4760147330156395,4.939430307761255,7.160975891949994,8.58919291486267,9.330025138431854,9.674285031933596,9.803101990388363,4.087179769799538,0.5019556492528042,0.0022792413133926,17.720147333009884,8.283933758384512,10.09520604371974,2.2112196259283383,1.667698801584779,3.62667190546462,0.2916526517919482,4.000920015920364,0.1952772445953234,14.17154704376286,-1.248827716334704,-2.791296356596133,-0.2916526517919482,-3.58204893067029,-0.0088796116590401,-14.17154704376286,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,8.568212906658873,9.329204783285723,10.085618765771082,10.833258185719597,11.56608833386759,12.278014796868364,12.963834969731431,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_30,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3098205550398901,1.1723080188821124,2.5818684570511543,4.618143661963891,6.609929536479419,7.924027843514051,8.609974479760126,8.929247690370058,9.0487711974712,3.886799577017698,0.940050687081315,0.0366983488229256,15.024196883511609,8.142864955721306,8.12527957572939,1.9507461221584523,2.3985960253386978,5.274928406716441,0.4765117928848499,6.210690368417496,0.1739156196166265,21.52321598439048,-2.366521903509802,-5.210961381846982,-0.4765117928848499,-6.178616246588601,-0.1596426354027681,-21.52321598439048,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,10.176246646210728,11.007806982314715,11.806139623930545,12.564822701230172,13.280093780330324,13.950303924148225,14.57539783396249,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_31,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0804055428090282,0.7212812182720684,2.441664925870048,4.81621371526476,6.916758179871898,8.253202556843453,8.943340217363353,9.26345168075372,9.383144898186622,4.00091760719855,0.497930406569844,0.0022079128150061,16.982161614817695,7.748008275955196,9.99404436658834,2.1458061163550664,1.6846309315510093,3.697220661877024,0.3273265667047538,4.30324346518904,0.1359234519687857,14.969685991850124,-1.588634735496529,-3.50577064827577,-0.3273265667047538,-4.207247269134559,-0.0932051447245417,-14.969685991850124,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,8.733301075238996,9.471233327234598,10.207686023063651,10.938051924805125,11.655942076856311,12.354956568708156,13.029627732493667,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_32,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.310072437501275,1.178494105577202,2.614375280016976,4.580555171082461,6.388809113320428,7.5442522142005455,8.139070929258661,8.414312028669563,8.517108624887529,3.8914935915466575,0.943199161610702,0.0366709952932143,14.25279109265612,8.258399068352748,7.506897301399873,2.05581928716366,2.4393785453667807,5.364527886908859,0.484528069520781,6.3156031015330285,0.1770333223367528,21.88745411724952,-2.4059021498410296,-5.2977642374920775,-0.484528069520781,-6.2821267060072765,-0.1621363263277934,-21.88745411724952,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,9.607917702742178,10.458413063395724,11.279824053451955,12.064077393552337,12.80607343109741,13.50316963893104,14.15461959460975,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_33,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0798643791992061,0.7208075288842534,2.446148377336047,4.707873777272206,6.557726829757578,7.6794459802505,8.24633234907749,8.506894990886178,8.603967437091404,3.953024348606295,0.4968107623891805,0.0021503538976543,15.681297875556492,7.747930985798472,9.06865736837844,2.180361984856026,1.936352225317832,4.217499218208853,0.3450356035792429,4.696637053951775,0.2147349835553547,16.582473198174018,-1.5140038104745968,-3.375188657066247,-0.3450356035792429,-4.27428863910854,-0.0267899389501149,-16.582473198174018,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,8.336583120703677,9.16999464687063,9.983911217226256,10.775816281255867,11.541956081761978,12.27848358299522,12.982154880969835,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_34,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3105423021316016,1.1777589965830435,2.6258953219771404,4.736530726764148,6.78666722389342,8.128624788171173,8.825746456296837,9.149450079514027,9.27050783833695,3.979408339870496,0.9431215159872242,0.0368183922914438,15.797348671618238,8.571268384413107,8.534204143558556,2.0617883915749693,2.443522211016018,5.37484933940673,0.4865237173906493,6.335711950141214,0.1751354137946606,21.94808540289308,-2.4217149628904746,-5.331358054107551,-0.4865237173906493,-6.313904702015669,-0.1654311883787935,-21.94808540289308,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,9.908929596685953,10.76800184381405,11.591294277406144,12.372647282179614,13.108410406817583,13.797020936423085,14.438530127899131,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_35,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1541835517416615,0.8308537325573729,2.1781882642406183,4.236456681867401,6.293905537278062,7.673612862040648,8.400409880899034,8.740165263735538,8.867590188716513,3.491503378838998,0.6308882107334634,0.0088226834176307,13.393234568875616,5.925141722875833,7.909815755893453,1.653919798567399,2.0496925347463324,4.30305689098693,0.2087783671502529,3.719919471948356,0.5206537395553935,14.42403001673672,-0.0380911367561972,-0.2912196429053044,-0.2087783671502529,-1.7083180739582209,0.3745088825502166,-14.42403001673672,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,7.098340686312769,7.874474837096478,8.640678167834661,9.392902797951637,10.12753397031657,10.84121956156054,11.530969489124136,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_36,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.157420533609953,0.7827447189011764,1.9103879552993508,3.710839509338117,5.60095343260387,6.885490238091128,7.563480248015727,7.8804019362350495,7.999240628827837,3.0439775766620447,0.6061448172376692,0.0095696280720314,10.97256115551312,4.616811928743608,6.765790711634206,1.267233019391728,1.9628992305497368,4.06362022406192,0.1444332679751424,3.118365374350877,0.6026777801412407,12.703161512251535,0.518566550798312,0.8852910569695621,-0.1444332679751424,-0.6368995930028278,0.5015744925586412,-12.703161512251535,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0198,6.67860353238518,7.473007285740465,8.264451229923424,9.045892138488218,9.81142506011138,10.556073503831984,11.275766538939772,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_37,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0698780547597333,0.3730016611484315,1.3349038284414645,3.30512035750908,5.407443630422283,6.822553099557716,7.565068864463392,7.911219624469826,8.040874404807806,2.562133764033511,0.2739029853689058,0.0049624650624283,11.168258255713017,3.2207419640974115,6.8697940909572965,0.4342403322358836,5.600142180543339,11.902492013183718,0.6183769579241278,6.66937744602952,0.8646876395532871,22.57181834564712,-0.4297683166675473,-0.865294925968065,-0.1013395715365486,-6.66937744602952,-0.8646876395532871,-2.618260185476566,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0198,14.51464015208666,15.255065022686235,15.92184765758753,16.525642982728122,17.074676032866734,17.57545193960741,18.033253896664306,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_38,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0537883782293139,0.3790948069030645,1.5049309575518806,3.646949201593322,5.83100430214573,7.274378492806464,8.026333965320667,8.375881770653091,8.506661063116303,2.8556383740274893,0.2639465211975485,0.0028260165704585,11.91820629339016,4.040507748317998,7.074719745835226,0.6513383897264207,9.579066594022146,20.39990109912482,0.9979188009965398,6.809428694067617,1.09405962664817,32.84114933901314,4.758251149880317,10.205971088783764,0.4358129733937065,-6.809428694067617,-1.09405962664817,13.16744537291398,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0198,12.366429715368293,13.340572522741208,14.230085628760182,15.040214390433311,15.776483312361847,16.444593389367093,17.050268413034072,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_39,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2326443937896385,0.7681370694118669,1.9303689027647204,3.943777686489623,6.002774284336029,7.372297981997944,8.087971608336819,8.421085060399887,8.545780272104768,3.201719923309496,0.6139684108583311,0.0440559958849892,11.33461413573484,5.500540140274808,5.972635558884762,1.1726229280649365,10.338475718640918,22.093604577983537,1.1824912790352795,9.493222123953355,1.1399583648163696,37.26512123544686,3.401769383985479,7.237696642593022,0.1915332312273598,-9.493222123953355,-1.1399583648163696,2.5815895621696736,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0198,16.02632285097737,16.864658007729894,17.583482183079298,18.20392005306155,18.742519217419897,19.21245422804858,19.62436449992884,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_40,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0657002058484156,0.3849252851433,1.357132855254783,3.226043792307617,5.228649524714802,6.596130562936194,7.319858334346715,7.658634614025447,7.785747131805503,2.5243295375279566,0.2783964052591521,0.0042701269227132,10.333044716663371,2.929847969157448,6.550769477114285,0.5101013425238692,6.603008275142271,14.04655853078526,0.7338507376903689,7.591473918304165,0.9732328247599684,26.17976501400588,-0.0932212639941981,-0.1501161980874727,-0.0828720365755616,-7.591473918304165,-0.9732328247599684,-2.4055320853016857,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0198,14.526388063729396,15.246733611261169,15.906772863535522,16.51166785699764,17.066077128431456,17.57424162438989,18.04004990467363,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_41,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0685837952822339,0.383057775418007,1.3705381432206594,3.2690455030926207,5.259131684167663,6.5997266035188105,7.304907684543634,7.634147457619501,7.757552595841461,2.561335439120876,0.2781477140095331,0.0047585870756203,9.937023396514824,2.967475275302646,6.33081556421716,0.6368683788789703,5.526341468166089,11.711119486389826,0.5853903565553701,6.741569833214707,0.9431557666470068,22.77665505847837,-0.902482151640299,-1.8405670034022223,-0.123004424902791,-6.741569833214707,-0.9431557666470068,-2.017162292557273,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0198,14.949282321344944,15.60642761656784,16.206483523104374,16.756769080708093,17.262775504579228,17.728828030626186,18.15849449712053,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_42,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2068522463184925,0.7323894654522507,1.8067049720091293,3.733496682106349,5.759189998919009,7.131541165216438,7.855873799608978,8.194612390463272,8.321667495392134,3.0160102528918213,0.5880167394556381,0.0273284680048382,11.849416969860725,4.198602774536146,7.329168449711506,0.8765161347007387,5.786803347580505,12.327203380465642,0.7626425778784537,11.887943970608134,1.145172656151224,28.93401673790252,-5.786803347580505,-12.327203380465642,-0.7626425778784537,-11.887943970608134,-1.145172656151224,-24.450963713589225,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0198,15.241071904213468,15.89399455130938,16.48716285693522,17.027746079550692,17.521514565884107,17.97328786684379,18.387207501217823,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_43,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0688415081706644,0.40668049230526,1.5622467558763955,3.760881658298201,5.975173586413029,7.430005322188915,8.186367814597036,8.537702767749492,8.669114586351709,2.95242326279476,0.2903809093112701,0.004700939602309,13.303508683216334,4.135301013932932,8.063022063647288,0.6056214351192682,6.450876034965105,13.69836599870871,0.6829469729907274,6.72224989053506,0.963588561846917,24.985297475127314,0.4720598695093805,1.080025276572972,0.0093466174567212,-6.72224989053506,-0.963588561846917,1.4092850314370975,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0198,13.831994714463292,14.64875954364126,15.385513054981956,16.052039928125783,16.656534857996387,17.20591750679523,17.706092870020548,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_44,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0691858124861865,0.3702186062372414,1.299842937113604,3.214910837576157,5.292812265070684,6.704068321666896,7.447366847579589,7.794422436278632,7.924496653459248,2.488290758830724,0.2723462634549956,0.0048586680882414,10.767798139972031,3.0012526821357186,6.725518176596671,0.4059495538552798,5.841576447595721,12.41845985976028,0.6446896836760135,6.825947225913525,0.8871486615626737,23.36547687045218,-0.2773808594753149,-0.540571537799652,-0.0882701248639729,-6.825947225913525,-0.8871486615626737,-2.288116428447348,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0198,14.530155855158348,15.277905070380854,15.94971925135839,16.556898345439574,17.10812019177162,17.610208784895075,18.068674917385536,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_45,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0540796390771527,0.3847324229366549,1.5442926686378988,3.743192049392872,5.962993710956502,7.42004495791638,8.176493058393364,8.527569427722252,8.658833051471248,2.933567298703006,0.267245167036242,0.0028337212593696,12.314493261325472,4.269125360385696,7.264716655333344,0.723605052682453,9.317383413100826,19.839919158889305,0.965512477401108,6.477070913334033,1.061127303879728,31.796739818938217,4.768499678866714,10.229215477533812,0.4430758317956463,-6.477070913334033,-1.061127303879728,13.51145722274706,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0198,12.412427895512655,13.378708964914871,14.2617431301638,15.066562785455575,15.798499408432384,16.463081656433467,17.065884065570245,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_46,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2352340075732798,0.7752281070183619,1.925902644226074,3.93277676437754,6.003402201277279,7.385332150415778,8.108319635767872,8.44497965281293,8.57102258635213,3.1902286767664343,0.6208509770839103,0.044184917858131,11.29057806781143,5.488394292491669,5.997606999668885,1.1794096932712173,10.452928249893564,22.33737095375609,1.1938470627486348,9.545494930824889,1.15113251014131,37.62314749998696,3.4913515115167764,7.429483052926567,0.2005809133923992,-9.545494930824889,-1.15113251014131,2.858832272518719,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0198,15.95685087597578,16.80212581825301,17.52706317366069,18.15283662067897,18.696081437732776,19.17006800789188,19.58552553836901,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_47,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0649825740196464,0.3717351803185643,1.30006820226132,3.1388049664790056,5.14010754395086,6.513157005761912,7.240772169404025,7.581499467012968,7.709360107156269,2.4431371839227944,0.2706032333920354,0.0042217000994324,10.105692742144948,2.685027567775621,6.490699838285968,0.4381534650944633,6.544865922838419,13.917172422024548,0.7173158175084755,7.255366698362036,0.9607830689130392,25.68509354383023,0.1591684298871631,0.3939297107387474,-0.0469123822359173,-7.255366698362036,-0.9607830689130392,-1.0628934472235194,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0198,14.209509230773955,14.961589190500469,15.64888725093187,16.27771578124097,16.853380001653832,17.380521426393575,17.86331025606949,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_48,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0668945981797151,0.3852643643762219,1.413929369279447,3.37134519669824,5.386968175111242,6.731442167913846,7.435592737847299,7.763745252121367,7.886651270275797,2.6464686673744904,0.2776858632279117,0.0045134242860508,10.254090840450836,3.2018504190598893,6.442750913416105,0.6675316651595287,5.805860772800813,12.307200053774832,0.6139361908303677,6.87937064502964,0.9693614744567858,23.656132347824304,-0.6885545669153266,-1.3832864960710851,-0.102205570241819,-6.87937064502964,-0.9693614744567858,-1.4088292897022343,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0198,14.596785786039517,15.305620347882336,15.949806247883364,16.537907521526837,17.07635867164153,17.57024162332574,18.02375819594694,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_49,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2035345233029815,0.7312316613511431,1.814145759406494,3.702813501528599,5.653613352877018,6.968854176791241,7.66241358977412,7.986722215542191,8.108365000075977,3.0055457173487667,0.5854588775335422,0.0260965615694171,11.523198442291031,4.115094146083415,7.1458315647244985,0.8956825912701907,5.877773772733623,12.524912902464015,0.7784354941394462,12.105257725849194,1.156042777355001,29.38886886366812,-5.877773772733623,-12.524912902464015,-0.7784354941394462,-12.105257725849194,-1.156042777355001,-25.101615726093115,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0198,15.19497629916098,15.83885982895009,16.425456370316695,16.961509722361814,17.452469306701047,17.90287666632862,18.316618506936507,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0198_50,RSM0198.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692300094956319,0.3988020473592573,1.530979931815317,3.726014923509316,5.945883935437969,7.401982015220875,8.157738776707909,8.508472702909602,8.639606619564592,2.9162678621798395,0.2861949510037037,0.0047950975555877,13.090852303977872,3.9980711208594792,7.93961330037312,0.5544583183391467,6.169734913894549,13.102474842150832,0.6592465711652225,6.684886738168856,0.9352136791792208,24.18632552640629,0.1753594128354137,0.4423980171196187,-0.024737138492226,-6.684886738168856,-0.9352136791792208,0.246895688395587,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0198,13.926446515476886,14.716945735307473,15.432189248374655,16.081249824083134,16.671654087336137,17.20973720059522,17.700908973237443,"[Ni][OH][Ni][OH][Ni].[O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-]lim,pcu.cat0","linker [O-]C(=O)[C]1C[C](C[C](C1)C(=O)O)C(=O)[O-], nodes [Ni][OH][Ni][OH][Ni], topology lim,pcu"
RSM0622_0,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,38.0,87.62,5.0,2.0,0.95,195.0,0.0001356722183361,0.0444207851154804,0.6843489478754177,2.553167176197667,4.729240456881786,6.235562450085098,7.034413726808,7.408453272826018,7.548798175140222,1.8159280004291896,0.0177968452915541,6.584583113856465e-09,7.340217399623008,1.8101976721570896,4.688179647283426,0.1021096896071687,30.37757395232396,72.42922640047236,3.05393913604628,13.298791231398374,2.4231154713026144,130.88786976161975,-30.37757395232396,-72.42922640047236,-3.05393913604628,13.190912959305816,2.4231154713026144,-130.88786976161975,-30.0,-71.62060000000001,-3.0,14.0,2.49,-129.0,-37.0,-86.61206,-4.0,-1.0,1.2500000000000002,-164.0,RSM0622,21.594598267716545,21.78989781181617,21.94215440785519,22.06304092137537,22.160555942920723,22.240318835307303,22.30636583832354,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_1,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,38.0,87.62,5.0,2.0,0.95,195.0,0.0001360257796593,0.0444474385278622,0.6844034114518426,2.553193803360018,4.729385658213566,6.235876797143905,7.034842096662367,7.408940275721103,7.549308001889662,1.8159532464988144,0.0178120346467329,6.6289639630386894e-09,7.340855200345772,1.8103492218475536,4.68836856092551,0.1021096087191325,30.37753943595525,72.4291524789351,3.053934205136464,13.298855333225958,2.423121585630784,130.88769717977624,-30.37753943595525,-72.4291524789351,-3.053934205136464,13.19098692295303,2.423121585630784,-130.88769717977624,-30.0,-71.62060000000001,-3.0,14.0,2.49,-129.0,-37.0,-86.61206,-4.0,-1.0,1.2500000000000002,-164.0,RSM0622,21.593482744991217,21.78890029245078,21.94126644073291,22.06225048896593,22.15985078395016,22.239687686125954,22.305798803079,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_2,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0114629444445501,0.286012050412713,1.3934773011083008,3.300734903838969,5.156477590613643,6.373583783077063,7.008441746536587,7.304011441061962,7.414685242267662,2.613679179197685,0.1725931408414226,3.639078300627688e-05,10.216224143324991,2.9585190085429067,6.653590289031421,0.606280845525632,20.89137145218541,44.541684853429466,2.068532228993631,5.793950837750904,1.2803616963558988,58.34039876862714,-20.89137145218541,-44.541684853429466,-2.068532228993631,4.560370715865525,1.2803616963558988,-58.34039876862714,-20.0,-42.694,-2.0,6.0,1.53,-53.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0622,17.881037747112906,18.633722233591907,19.25507171541166,19.77162906052527,20.20424607448387,20.5692335435204,20.87936444043535,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_3,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0114583471215806,0.2859567233539014,1.3932647889543817,3.300209911365308,5.15567668042607,6.372630042545008,7.007417241688261,7.302956013832134,7.413618560068581,2.613266740069075,0.172554846163534,3.636175172927725e-05,10.21302060000949,2.9573878863844487,6.651786109850479,0.6060864136669704,20.89305957833138,44.54529208132422,2.0687655958249747,5.794596379918363,1.2800504981544063,58.348293816091314,-20.89305957833138,-44.54529208132422,-2.0687655958249747,4.556815655068816,1.2800504981544063,-58.348293816091314,-20.0,-42.694,-2.0,6.0,1.53,-53.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0622,17.881450044281724,18.634328176116064,19.25577011777333,19.772361267582543,20.204978255706088,20.56994657177629,20.88004798473221,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_4,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.218384559732231,0.7555775018962844,1.8478497771424327,3.615716151819836,5.462012069670308,6.719879013315796,7.38549233634166,7.697065397895034,7.813971546706434,2.9633949593558016,0.5989119894633025,0.0405284865987095,9.384410169133089,4.194100620397786,5.6209406709640986,1.371206093157164,5.263540459285593,11.49992105348031,0.7172557580996417,8.932097340971241,0.7625954027936451,25.981512235228653,5.263540459285593,11.49992105348031,0.7172557580996417,8.932097340971241,0.6868484950919506,25.981512235228653,37.0,86.61206,4.0,15.0,1.2399999999999998,164.0,0.0,0.0,0.0,0.0,-1.2500000000000002,0.0,RSM0622,4.333158976468358,5.125417585834432,5.886184124068264,6.605187621357352,7.27809022607164,7.904154753665508,8.484672606693875,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_5,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2044924651717246,0.7438302323796123,1.8033942820611824,3.505170771639232,5.309230914645702,6.553379160846728,7.216003418966588,7.527110327673222,7.643989112530623,2.87475895739644,0.587770572345241,0.034083037257877,8.986324418379642,3.929181191210402,5.395733882326511,1.3965308685356017,4.887299604773965,10.505187513498878,0.714887122348078,10.439083234822816,0.8156039912309557,25.77398240797589,4.887299604773965,10.505187513498878,0.714887122348078,10.439083234822816,0.809507279907598,25.77398240797589,37.0,86.61206,4.0,15.0,1.2399999999999998,164.0,0.0,0.0,0.0,0.0,-1.2500000000000002,0.0,RSM0622,3.1028931842724266,3.7585609125759007,4.423408843587443,5.083145592319287,5.728252977794987,6.352937957969861,6.954125628044694,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_6,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405093227309156,0.4771705413468552,1.305331550812534,2.8752044081777743,4.53309018827066,5.657752517361117,6.251813887270128,6.529737137621091,6.633998749434988,2.288892562427132,0.379928412254755,0.0201037755805439,8.400338461867811,1.9952859537307528,5.618422462885957,0.2915620595324685,3.907211742617074,8.4629415409367,0.650410629873436,9.110120312738578,0.5193326408635979,25.992846721854864,3.907211742617074,8.4629415409367,0.650410629873436,9.110120312738578,0.5193274420078295,25.992846721854864,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0622,3.526958669519089,4.203029407139276,4.8980705253532495,5.594723769810968,6.279678097035644,6.943567470244,7.580434258399659,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_7,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398623790754138,0.4695878361530888,1.1741336287051851,2.3869940435727104,3.672443919668869,4.560500574987303,5.034663532691972,5.257617006115788,5.341434426831676,1.9371526509546,0.3765518331498078,0.0199302785548532,7.102647893046539,1.3890813821135122,4.851296764252118,0.0767182515897661,4.578660316441056,9.963664778644,0.7947356447007596,10.213895059133575,0.4428294574675091,33.04790086752513,4.578660316441056,9.963664778644,0.7947356447007596,10.213895059133575,0.4328499993567981,33.04790086752513,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0622,3.550305586852801,4.208081794189105,4.888546614188382,5.574237309162414,6.251392839806925,6.9100879699799815,7.543822460328597,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_8,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.144831403692746,0.5623522798447086,1.738539095357499,3.789941321470705,5.857501891235908,7.236041126361868,7.959178134024395,8.296506142224626,8.422904480955582,3.0408222067824697,0.4285264156279171,0.0208618117691902,11.918456392470452,4.197612612500235,7.462605368295984,0.9312129111777232,4.237907892687907,9.162020848852706,0.6884760495905262,9.731410081841553,0.5948020617175781,27.00991523971326,4.237907892687907,9.162020848852706,0.6884760495905262,9.731410081841553,0.5946044998035084,27.00991523971326,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0622,3.221837956795381,3.856159251215868,4.517330828412798,5.188519887208781,5.855979459286286,6.509381424821292,7.141591452745922,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_9,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2184423205083482,0.7553194776571919,1.846538323501006,3.607160111823474,5.443948503765388,6.695305729575928,7.35752214323693,7.667518740057762,7.78383569235884,2.9579537949387573,0.5987162791564449,0.0405511517394363,9.329814212084804,4.170854438319951,5.603305908081105,1.3772959599003909,5.190769329156045,11.331151009403202,0.7094131388275187,8.918067043226477,0.7586988624457685,25.67303132777696,5.190769329156045,11.331151009403202,0.7094131388275187,8.918067043226477,0.6874215228971764,25.67303132777696,37.0,86.61206,4.0,15.0,1.2399999999999998,164.0,0.0,0.0,0.0,0.0,-1.2500000000000002,0.0,RSM0622,4.367505451174376,5.156867430313124,5.914966810614517,6.631457996035395,7.301992439371375,7.925842171079415,8.504308894948764,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_10,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2046780472967508,0.743467430008726,1.8019751130234551,3.501368297496867,5.303837736907229,6.547528492910457,7.210099135065128,7.521223030142278,7.638114900126547,2.871778170709129,0.5875271932954408,0.0342051657821909,8.959949826311385,3.91687963629115,5.387612239866077,1.3948446452183834,4.863975353890144,10.451740236013055,0.712362458488005,10.430217956972545,0.8138859725648672,25.67927607330668,4.863975353890144,10.451740236013055,0.712362458488005,10.430217956972545,0.809041269043236,25.67927607330668,37.0,86.61206,4.0,15.0,1.2399999999999998,164.0,0.0,0.0,0.0,0.0,-1.2500000000000002,0.0,RSM0622,3.1484350990786987,3.802921581573072,4.46668948877306,5.125299456266268,5.769173829260388,6.392505687737716,6.992228280711683,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_11,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405144144569908,0.4768485230159714,1.30011485998228,2.857017171119564,4.501171065677069,5.616822759417536,6.206222244523951,6.48198612968913,6.585441087541387,2.275642760098912,0.3798091002277966,0.0201054419856802,8.326390688616415,1.9676691002322404,5.569509250408478,0.2788029411332974,3.901210287496863,8.449719597497847,0.6492047509506342,9.094848295101936,0.5188961340181507,25.938281129060087,3.901210287496863,8.449719597497847,0.6492047509506342,9.094848295101936,0.5188961340181507,25.938281129060087,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0622,3.520144380272341,4.196364826265916,4.891703806754173,5.588741817615876,6.274122258744745,6.9384480020975055,7.575741718756427,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_12,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399566899729598,0.4699058621268061,1.1754077125208064,2.387927058365112,3.671277933256878,4.557420598276014,5.03047487427321,5.252891843568569,5.33650540385888,1.9384811364977688,0.3767690518763987,0.0199564921793476,7.103005595136733,1.3905631408048105,4.851168373464063,0.0773421180410302,4.53813010305725,9.876245864179731,0.7892715902380794,10.183395259994468,0.4428245307382922,32.84503547207963,4.53813010305725,9.876245864179731,0.7892715902380794,10.183395259994468,0.4335872357935041,32.84503547207963,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0622,3.55123501189012,4.209283044622657,4.890030593841686,5.575984088029629,6.253364514166267,6.91223894328184,7.546106334672371,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_13,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1448077580251949,0.5631584845432801,1.743915351901555,3.804852693591814,5.880266110679767,7.262817410740286,7.987708192830382,8.325778603535735,8.45244325534501,3.052356228944952,0.4289816877604225,0.0208429355616928,11.983119801879033,4.242608878024789,7.486256406291212,0.940386408154676,4.246287297981805,9.18020154550534,0.6898778336124266,9.749699672567536,0.5957361934978734,27.066701989095268,4.246287297981805,9.18020154550534,0.6898778336124266,9.749699672567536,0.5955206227668749,27.066701989095268,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0622,3.2175864941879704,3.85224420424267,4.513793199545685,5.185369788319516,5.85320609556492,6.506961424069093,7.139494966182506,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_14,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2185204748022642,0.7553969050382172,1.8467510205487352,3.60774500702918,5.444980168415132,6.6966527626948045,7.359037525515542,7.669113115182116,7.785459728236011,2.958390976946128,0.5987908620952898,0.0405843180641806,9.334106156607271,4.172430911156988,5.604468895713543,1.3767597613826907,5.190211545822404,11.329520912794514,0.7093906773389885,8.92236883179139,0.7590988402087258,25.669934381066923,5.190211545822404,11.329520912794514,0.7093906773389885,8.92236883179139,0.6879754441524618,25.669934381066923,37.0,86.61206,4.0,15.0,1.2399999999999998,164.0,0.0,0.0,0.0,0.0,-1.2500000000000002,0.0,RSM0622,4.373114816359678,5.162829572616142,5.921076127140309,6.63756058479846,7.3079790022973,7.931639122105688,8.509869899791656,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_15,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2046474471292532,0.7435569265824645,1.8025252390117543,3.5028414684784,5.306196492411137,6.550424078035876,7.213258621552224,7.524501567177499,7.641437394031841,2.872912600867479,0.5875726027692144,0.0341866199827443,8.968969739236792,3.9214677210469486,5.39132130307043,1.3952330749942947,4.863132694730694,10.449858134606016,0.7121904810025069,10.428223495028083,0.8138589231186714,25.67124737881761,4.863132694730694,10.449858134606016,0.7121904810025069,10.428223495028083,0.8090215255716936,25.67124737881761,37.0,86.61206,4.0,15.0,1.2399999999999998,164.0,0.0,0.0,0.0,0.0,-1.2500000000000002,0.0,RSM0622,3.14831949471387,3.802945124924903,4.466788427097771,5.125427177030327,5.769298141398665,6.392605848428568,6.992292231190213,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_16,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405368318590024,0.4767929315418354,1.2992941576111698,2.854835738819776,4.497609225968762,5.612300270761346,6.2011834923372176,6.476703980874252,6.580067345346818,2.273950781050672,0.3798036708016354,0.0201118742995177,8.318904349712378,1.963762313115084,5.564903697839591,0.2772843381121804,3.895211410166696,8.436785611072283,0.6482631656829654,9.08131673563042,0.5180100624741897,25.90236454697411,3.895211410166696,8.436785611072283,0.6482631656829654,9.08131673563042,0.5180100624741897,25.90236454697411,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0622,3.520562848159681,4.196898280890137,4.892333287520296,5.589447416839532,6.274884744827072,6.939249948005516,7.576568091155074,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_17,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398657575762211,0.4697633094897092,1.1750286791170572,2.3861285550229656,3.6672645813447975,4.551726525175766,5.0238642094011805,5.245848025616574,5.3292985319510136,1.9373254466096,0.3766355556597865,0.0199308046903096,7.095999119403809,1.3884196079002449,4.8468997211935845,0.0771215419637918,4.536325617750415,9.872634205959356,0.7893545396432682,10.187790556610429,0.4426644559066904,32.85749170554218,4.536325617750415,9.872634205959356,0.7893545396432682,10.187790556610429,0.4335036130636915,32.85749170554218,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0622,3.5515266820716564,4.209817105891012,4.8907769096242,5.576907164506832,6.254427933105044,6.913408321243152,7.547350974724918,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_18,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1447837987976256,0.5630132108399813,1.743564229384853,3.805026750603139,5.881542729218691,7.264978716299924,7.990361977565772,8.328667171718891,8.455420524689059,3.05224470707514,0.4288826143982682,0.0208373225024159,11.988312010029798,4.243321405789542,7.488562517077753,0.9385129398239066,4.2465004082055176,9.180661137673429,0.6898947157560619,9.749077723493588,0.5956574550782839,27.06723395222264,4.2465004082055176,9.180661137673429,0.6898947157560619,9.749077723493588,0.5954284875011162,27.06723395222264,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0622,3.2173599099647143,3.852164271572428,4.513870134100383,5.185598454148147,5.853571911544006,6.507445065214981,7.140075653733517,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_19,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2183842094305468,0.7555965696711842,1.847857941228655,3.6158212516746926,5.462304564837898,6.720312661020593,7.386001247266242,7.6976093908447325,7.81452866222325,2.9634491596532127,0.5989293928612847,0.0405260644615529,9.386089334127488,4.194606399487984,5.622089877593264,1.371686525539218,5.263452691899076,11.4995914455516,0.7172895066756669,8.93288487765718,0.7625354386114915,25.983102441955744,5.263452691899076,11.4995914455516,0.7172895066756669,8.93288487765718,0.6868341585623392,25.983102441955744,37.0,86.61206,4.0,15.0,1.2399999999999998,164.0,0.0,0.0,0.0,0.0,-1.2500000000000002,0.0,RSM0622,4.331629264375106,5.124010892207932,5.884857503493067,6.603913498696325,7.276852193857186,7.90294404670527,8.483485402127496,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_20,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2044327149829696,0.7435476535361627,1.80309591690434,3.5054978618215182,5.310327984286201,6.554983720208882,7.217867624109624,7.529093902504058,7.646017121792272,2.874822938430327,0.5875431493566269,0.034075024558281,8.990455756123087,3.930010596332592,5.397999536116799,1.3959103963800306,4.886003995969735,10.50191593873552,0.7148565483189117,10.442752647867245,0.8156788521294723,25.77308800168459,4.886003995969735,10.50191593873552,0.7148565483189117,10.442752647867245,0.8097715575502631,25.77308800168459,37.0,86.61206,4.0,15.0,1.2399999999999998,164.0,0.0,0.0,0.0,0.0,-1.2500000000000002,0.0,RSM0622,3.104381704834725,3.760423286095644,4.425556967262847,5.085500311241558,5.730746135844727,6.355512499243408,6.956734745852768,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_21,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405683864255242,0.4772328991572638,1.3051538608086788,2.8746609218343484,4.532384576626222,5.6570211681049365,6.251088407580433,6.529018238312581,6.633282897195329,2.2884566879158004,0.3800018570464256,0.0201206140152725,8.397592234985378,1.994105850036337,5.616816750402227,0.2910931837684792,3.907303022002582,8.463092447213251,0.6503809351161122,9.10999242360869,0.5194262908820516,25.990303810681844,3.907303022002582,8.463092447213251,0.6503809351161122,9.10999242360869,0.5194213459771179,25.990303810681844,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0622,3.526454646049614,4.202558204146274,4.89763732171455,5.5943300570286105,6.2793229884088,6.943248698172195,7.580148872048261,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_22,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399146483571809,0.4696486945717582,1.1739990243201213,2.386324382937877,3.671208167407911,4.558910045096212,5.032897120223416,5.255771123605213,5.339559196081908,1.9366887374768469,0.3766192936612495,0.0199451130195497,7.099372812195536,1.3878287852823648,4.84961239524627,0.0765968715603363,4.579051389165851,9.964598818646689,0.7948768254599058,10.214937403716942,0.4426710581795036,33.05603308884765,4.579051389165851,9.964598818646689,0.7948768254599058,10.214937403716942,0.432684996710591,33.05603308884765,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0622,3.5503727068191857,4.20823219641941,4.888777685669243,5.574540569060929,6.251756978369294,6.910500882012846,7.544272485036344,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_23,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1448219333821207,0.5626073834331535,1.7398414188852251,3.792477103071663,5.860651427047489,7.2393320837613935,7.962472950609279,8.299787901992254,8.426179033382349,3.042989884760889,0.4286641528486381,0.0208567486771261,11.92817789602619,4.204459458872424,7.467370665236499,0.9346106506699364,4.236307904807381,9.15858266029762,0.6882565277035785,9.729237668955326,0.5946755992545971,27.00204132556246,4.236307904807381,9.15858266029762,0.6882565277035785,9.729237668955326,0.5944943843655781,27.00204132556246,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0622,3.2218697808470056,3.8562572013616783,4.517493980582513,5.188744356350609,5.85625892471542,6.509708076160245,7.141956900615521,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_24,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.11172202912572,0.7409644584433692,2.169851286730473,4.164209511448194,5.947526086229517,7.075341980508949,7.654378453248166,7.922126467502318,8.022104031035369,3.4736467165962384,0.5409181725624251,0.0045589653584687,12.228771971020365,5.744766411866745,7.30801929805676,1.7004455743759488,1.1052834505174576,2.3536666851398618,0.1443598967860006,2.2601626248054627,0.2350346494165813,8.4136151883073,-0.3383155173425493,-0.8230479107824118,-0.1443598967860006,-1.4931946916305547,0.1339827216663809,-8.4136151883073,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,7.62686049695064,8.369468285186176,9.11017596563966,9.84502350169677,10.568931603506988,11.27669085781652,11.963605489978168,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_25,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2183720659474228,0.9136107468199374,2.15573812213977,3.859489592701123,5.460636276578264,6.508250553061481,7.054760948475211,7.309219960650374,7.404502564995951,3.2602320553017186,0.7173383177459132,0.0233297131202825,10.295585681973622,5.379673687803996,6.0668587843396375,1.7109996512678358,1.8430878109408848,4.035745845684724,0.3491563320770605,4.636338467557369,0.1655059532242051,16.198565696245634,-1.6484755098297204,-3.6476208029636736,-0.3491563320770605,-4.441726166446205,-0.0789034792297369,-16.198565696245634,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,9.521524236484556,10.315142421038743,11.076954379001752,11.805204293111151,12.498695306940242,13.15674450896114,13.779164050683455,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_26,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165127344197668,0.907684084543836,2.1304248934462047,3.784992653456328,5.321104116232104,6.317802232904572,6.835584998783804,7.07622078578182,7.166258476298921,3.205492781551077,0.7127393393754826,0.0230550170685405,10.115684087919764,5.203057685324195,6.014763110670871,1.6814550756648494,1.7135975122222071,3.7464750835928746,0.3190649698228893,4.266117270805322,0.1643779987596489,14.94928695756882,-1.4770521860066863,-3.2747154911441134,-0.3190649698228893,-4.029571944589802,-0.0589674801163733,-14.94928695756882,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,9.683872677930433,10.44649181946182,11.182930351942936,11.890925235841497,12.568500883390731,13.214163010300238,13.826989593108769,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_27,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1002684042586086,0.7275189951326207,2.2097222872923266,4.277603296862373,6.21164927195477,7.486782971720165,8.1559956412353,8.468542133571015,8.58573102391438,3.554171881248875,0.5222006559902922,0.0036616816071063,12.961385773405164,5.978255410305277,7.805901580910166,1.776137740073458,0.4414556412322961,0.9292660721018506,0.0473753938237196,0.8204587918220531,0.1077418757660187,3.1547860826358733,-0.0322982970049002,-0.1132541041938883,-0.0473753938237196,-0.4113014475946572,0.074579100089415,-3.1547860826358733,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,8.103623580257162,8.849999823176145,9.588729704641478,10.316925617220557,11.030547139732448,11.725319903407598,12.3973506704959,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_28,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2321298927884487,0.9332083445342672,2.2141321299344847,4.229867605471962,6.279025806184734,7.655256076782948,8.379261430052239,8.717374298595715,8.844121907795225,3.493412335430322,0.7390078641652856,0.0251598691171821,13.1425403112427,5.977050565252273,7.895587859733781,1.791353980931201,1.8562557813401983,3.9904139830909418,0.2792374597054741,4.090155458983992,0.3159268287715965,14.866028100810476,-0.9361188157145426,-2.1543515212070634,-0.2792374597054741,-3.170018493358336,0.1204606069777648,-14.866028100810476,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,8.901643109905562,9.67995203241204,10.439223701770098,11.174667450396264,11.882435388287924,12.559665339472833,13.204447974485385,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_29,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1568881399413816,0.786192604911848,1.9465674393748849,3.688294948960112,5.454739952922445,6.650475096646103,7.282822993725098,7.578889260705235,7.689996682215142,3.055333314888637,0.6056480533667395,0.0099905685592016,9.458708583453785,4.649373091178827,5.484850421594391,1.349902930175038,1.8987586766157905,3.952272361562812,0.16049949333624,3.182754623305712,0.5441859400752885,12.703783249803756,0.2937637432533895,0.4203975509623133,-0.16049949333624,-0.990232203436531,0.4318362947399206,-12.703783249803756,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,6.875776984578705,7.692405196139414,8.49370572492479,9.27499086829478,10.032817284728951,10.764519796433223,11.468029531118246,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_30,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1593831505423789,0.7952555709430038,1.985308683447324,3.84705380356031,5.8348808786081925,7.216851178289305,7.955720977541668,8.303190285015585,8.433814692972897,3.15724821424874,0.6118797619289332,0.0103734491476319,10.740156897979164,4.961559749736782,6.225618193952674,1.391702471490206,1.293829654722949,2.625105272764993,0.0433656217560618,1.6407546287714438,0.4956903241471443,7.3364607087359825,0.8601734371623305,1.670822215899538,-0.0433656217560618,0.5132484631138357,0.4653343889179011,-7.3364607087359825,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,6.931341754299878,7.708974788669491,8.480164530320492,9.238762862759486,9.98003010587576,10.70015557811553,11.396067066680738,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_31,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1118055555870238,0.7413957132132935,2.170029611866342,4.160345079263877,5.937580300838566,7.060940148663529,7.637586980884778,7.904214019010927,8.003770880484927,3.471611057919497,0.5412527621727866,0.0045616538164527,12.19785451203901,5.734261352146537,7.29178075599339,1.7005745636217802,1.104161235230053,2.3512248473089064,0.144160992672989,2.2574491766139646,0.2349443276538522,8.404026029610044,-0.3374486914998375,-0.8211127601764069,-0.144160992672989,-1.4907366328837497,0.1340316327827599,-8.404026029610044,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,7.62408749061,8.365555191031001,9.105222600111174,9.839162477376572,10.562310923448743,11.269460479618589,11.95590806827154,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_32,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2184360430749735,0.9138632290120776,2.156409804769752,3.8564224452595455,5.449324429878186,6.490019417283891,7.032600820591871,7.285170875933639,7.379737395592425,3.2591879589876984,0.7175206093266785,0.0233360583555153,10.26397783813817,5.378660402701772,6.042388708812121,1.711695776900081,1.8387797250495488,4.025967252044913,0.3480052641510227,4.62282183825773,0.1657471073638814,16.154003908268198,-1.6412729164606783,-3.6320695483357,-0.3480052641510227,-4.42531502966886,-0.0778565775418341,-16.154003908268198,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,9.53606428547446,10.328033036246897,11.088320670190186,11.8151840523932,12.50742913463676,13.164369312689931,13.785808931358035,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_33,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166901085598395,0.9081045293916644,2.1312717268050587,3.786001794742207,5.32181517808572,6.318222085327281,6.835844208273511,7.0764050453674425,7.16641476227284,3.206519191975824,0.7131002672718377,0.023088032801989,10.120441518911942,5.205357207299959,6.017085431011928,1.682712176484121,1.7159135297589825,3.750969316437387,0.3189443610610802,4.267468418247625,0.1656247346161967,14.958454870016515,-1.4735300808518208,-3.267567199779437,-0.3189443610610802,-4.025084969340463,-0.0576363181265592,-14.958454870016515,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,9.68829281707684,10.44954315015588,11.184804772182243,11.891809244020386,12.568564826148076,13.213557425754296,13.82584478934506,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_34,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003307605954956,0.7278822163521809,2.211161183351998,4.282957420097245,6.221981070650549,7.5004142727172285,8.171294656566863,8.48460059984623,8.602070845315607,3.5578773782106867,0.5224708740907918,0.0036638973925401,12.999909503894736,5.992094856100363,7.826177784749426,1.7786039156196038,0.4396133656774989,0.9251122353823936,0.0469103464578982,0.814896137340685,0.1077878638065496,3.13627375754546,-0.0294900989014835,-0.1071743318038153,-0.0469103464578982,-0.4047728705646695,0.0749506212860209,-3.13627375754546,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,8.107625337157884,8.85299447875621,9.590669796655051,10.317852524317145,11.03055128200447,11.724514872988872,12.395856796242066,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_35,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2320002762942744,0.9329328532119237,2.2149310169946625,4.235976074281974,6.291235070732068,7.671340642388644,8.397286463271817,8.736282020841784,8.863356699889858,3.497362017253654,0.7387558974788709,0.0251353888476844,13.187435089858363,5.9929431533522415,7.9225066673661155,1.7926935610056534,1.8573356760990216,3.992977804798117,0.2796357576184806,4.094421737046867,0.3156465132695111,14.879393532864718,-0.9390219000857846,-2.160552452190511,-0.2796357576184806,-3.17610796103363,0.1199014829365748,-14.879393532864718,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,8.885989756619326,9.665651663231593,10.426066372403982,11.162491531635505,11.871113891517291,12.549097094309747,13.19455126565598,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_36,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1570487872508741,0.7868826842253196,1.946247017131561,3.6808614792566248,5.436451270219417,6.623512464718611,7.25093786320225,7.544629410236038,7.654834795733616,3.0510213080563697,0.6062039864700196,0.0099992755552292,9.421680932339068,4.627078303115262,5.4703805606379206,1.3489154236137315,1.8956879444076944,3.945453691550184,0.1598258072178906,3.17429440215082,0.5440832227546359,12.674955866396289,0.297429872228788,0.4284036943007466,-0.1598258072178906,-0.9811765855143374,0.4322051577021127,-12.674955866396289,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,6.889132663719846,7.699628148524495,8.496028547466198,9.273421461323592,10.02818358968613,10.75750223729034,11.459185955282942,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_37,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1595858150517669,0.7960648300619115,1.987842709131468,3.853352036451476,5.845554090492996,7.230523296278695,7.970959315316392,8.319154769526516,8.450050363793236,3.162071793502088,0.6125007327605537,0.0103942871340377,10.783885833285565,4.977878798713765,6.246859401116437,1.3950495169228871,1.28369767060664,2.6034584291277585,0.041969917840437,1.6194570133301365,0.4937675427619727,7.257886709841939,0.8639984922022699,1.6798885626916649,-0.041969917840437,0.5282391494787737,0.4643886002736669,-7.257886709841939,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,6.916812416115205,7.696230717864822,8.468275130821123,9.227099576940104,9.968202057918615,10.68794934323837,11.383394742756169,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_38,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1117990230162618,0.7413590011475201,2.170053620050337,4.160408763022978,5.9374592719392165,7.060613636183355,7.637134938728676,7.903700095614644,8.003233281291655,3.471689317989864,0.5412220021367674,0.0045617874886342,12.1981340226417,5.735075722802596,7.291333378040602,1.700551713273885,1.1059809288214144,2.3551167467595016,0.1444155678051165,2.261305471262347,0.2352856001025811,8.418216000209402,-0.3381747492297517,-0.8228229188873482,-0.1444155678051165,-1.4934992916706848,0.1341947026389995,-8.418216000209402,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,7.6256105503873055,8.367574090905862,9.107688518756374,9.842011135792548,10.565471318451587,11.272861810573216,11.95948432905828,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_39,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2184678571181672,0.9139031729379002,2.1563247868466795,3.8556791739580896,5.447632090031743,6.487633705134425,7.029842115520954,7.2822367416115314,7.376737334528911,3.258734437409577,0.717564176556623,0.0233433280623287,10.25885983985646,5.377770432256908,6.038522668034839,1.7115189867353535,1.838821161853256,4.025994348395818,0.3479513916002528,4.622432294655279,0.1658665577742247,16.15313364127134,-1.640692754149272,-3.6308569584913775,-0.3479513916002528,-4.424303886951295,-0.0776994163459519,-16.15313364127134,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,9.53491652800584,10.327161271116642,11.087673708575617,11.814720208683516,12.507114038434276,13.164174509198585,13.785710876939795,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_40,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166012510199242,0.9079992328062618,2.1311798719193886,3.785522965135441,5.320583170808278,6.316370408337816,6.833642007213434,7.074034470402176,7.163980373785377,3.2062352783410333,0.7129889839725438,0.0230624599297187,10.11708745242002,5.204370848722077,6.014804809268173,1.6825569456589735,1.7170238257795596,3.753317030052191,0.3190737226862423,4.2696136072694975,0.1658768528529436,14.966593582622645,-1.4737134010828632,-3.268066155994367,-0.3190737226862423,-4.026303182572802,-0.0574747530274257,-14.966593582622645,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,9.684503732005275,10.44612786756262,11.181733609793651,11.889050798084703,12.566087747353292,13.211331644396555,13.823842276706404,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_41,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003418857713579,0.7278800842776468,2.211196148883704,4.283752158015876,6.224088948517873,7.503543482949544,8.174984979193598,8.48855675929382,8.606127167182708,3.558308738173929,0.5224777208487497,0.0036651879608453,13.0061229423991,5.9940241139311095,7.829452439834509,1.7786214454754263,0.4381849393931408,0.9220994323094648,0.046751495350578,0.8121969021977656,0.1074434045027404,3.125954603977266,-0.0293300141126399,-0.1066915336575884,-0.046751495350578,-0.4033419769172647,0.0747173577573357,-3.125954603977266,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,8.10755156149902,8.853360351090991,9.591451670598822,10.31900393089226,11.0320147665034,11.726230476331224,12.3977673969472,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_42,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.231982353126222,0.932925651865704,2.215167953346365,4.237226049788946,6.293897455806173,7.675050529621346,8.401565911273828,8.740830679088353,8.868006733692987,3.4981793043530884,0.7387408139057157,0.0251296078853976,13.195806478756012,5.996709241087623,7.925989712476238,1.7930492132181055,1.85756013548844,3.993565363390944,0.2797715990245402,4.095732927684762,0.3154877176472319,14.883232657933002,-0.9401558547569632,-2.1629541543755577,-0.2797715990245402,-3.178328646953285,0.1196475983300539,-14.883232657933002,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,8.887227986221667,9.666807761984948,10.42716023439962,11.163532979793262,11.872107569256016,12.55004516940815,13.195454884488749,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_43,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.157005558740896,0.7867555220311507,1.9461033510474184,3.680784007682456,5.436460801598973,6.623586447586783,7.251047451624694,7.5447560034432195,7.65496782346942,3.05091601073114,0.6060925704758622,0.0099956736289638,9.42214520344844,4.626723607718592,5.470968591804072,1.3487808893450668,1.8958853757603984,3.9458907498961926,0.1598677441254556,3.174827328764044,0.5440944595505854,12.676781761311103,0.2972079345058413,0.4279179091885944,-0.1598677441254556,-0.9817340184978046,0.4321870386627666,-12.676781761311103,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,6.894102294398448,7.703759942870139,8.499576603565169,9.276560956763523,10.031035654150058,10.760150339019766,11.46168708417832,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_44,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1595433359189355,0.7959619948287721,1.98793459013322,3.854668751139076,5.848480302645649,7.234532737267666,7.975522723150047,8.323972121821068,8.454962081378255,3.162862105121363,0.6124072938721371,0.0103892781292456,10.794227807987443,4.981299234444868,6.252459092659533,1.3952317826053902,1.2837927068223494,2.603540609261719,0.0418653707390164,1.6187156727344805,0.4940176896257628,7.256270948892075,0.8651389994321851,1.6822713561568787,-0.0418653707390164,0.5302160335200536,0.4647119301084513,-7.256270948892075,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,6.916862726173293,7.69600061429172,8.4678805992244,9.226618718551558,9.967686495380311,10.687432267302633,11.382896633325798,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_45,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.111722010398054,0.7409731788937435,2.169841173370856,4.164257510438522,5.947808469163847,7.0758487707956,7.655018740910401,7.92283212588367,8.022834650041226,3.4736508113892146,0.5409245953749976,0.0045587726606337,12.22881349234884,5.744498134134711,7.308242156145709,1.7004756782453658,1.104606423366968,2.352247364756288,0.1442929151707337,2.258949744732837,0.2348580745676494,8.408890420249513,-0.3383227283403698,-0.8229932658915975,-0.1442929151707337,-1.4926660497062405,0.1338530339481358,-8.408890420249513,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,7.628813123689083,8.371253496083401,9.111836590349512,9.846587261298929,10.570415805709148,11.27810604702599,11.96495805258131,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_46,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2184123685777867,0.9136316513317776,2.15562148498309,3.859137621778723,5.460156522107293,6.507739005609145,7.054246294056489,7.308706627615045,7.403990150909932,3.25995448092724,0.7173693865462144,0.0233450557321208,10.293236541451678,5.3784509553752615,6.065736083199918,1.7108639843510405,1.8427888880200225,4.035130286119951,0.3491375130185159,4.635888992168149,0.1654082182591923,16.196694700470427,-1.6485862421651372,-3.647822239359261,-0.3491375130185159,-4.441686346313264,-0.0789880408537685,-16.196694700470427,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,9.521056337650196,10.314732885507317,11.076609566169385,11.804923912975696,12.498475478214672,13.156579541683207,13.779047525673978,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_47,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165349003135507,0.9076668838783292,2.130214046399116,3.7843093472936657,5.320078356985188,6.316651871366094,6.834400175841919,7.075026669055927,7.165061948285629,3.204975938467238,0.7127349911791833,0.0230674374854339,10.112037503816913,5.20104802042147,6.01339985883309,1.6811668670309896,1.712210465196749,3.7435062884613255,0.3188686011999214,4.263159274796121,0.1641267753915489,14.938424349982173,-1.4764755468024648,-3.273363092615569,-0.3188686011999214,-4.027424356401836,-0.0590812454483958,-14.938424349982173,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,9.683864181494627,10.446486492683508,11.182954891284254,11.890990136801918,12.568608007245764,13.21430977886853,13.827171339498095,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_48,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1002643841891857,0.7275000708582083,2.209612297031736,4.27730727461618,6.21120418067294,7.486276112988357,8.155469817124784,8.468010696718455,8.585198016345382,3.5539422682781883,0.522188202814506,0.0036612818432052,12.96031756745767,5.977334905785357,7.805369022265296,1.7759117319460178,0.443042590083873,0.932890327348342,0.047820764621906,0.8256087070591215,0.1076168720595781,3.1716282428574862,-0.0351650561351878,-0.1194304649543046,-0.047820764621906,-0.4177311731104365,0.0741423368242439,-3.1716282428574862,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,8.105084793561929,8.85141112388307,9.590140447673075,10.318359181963768,11.032010725526458,11.726811246118627,12.398862509504427,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_49,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2321171850538526,0.933219050938076,2.214277708944432,4.23023203622171,6.279429638846314,7.655576033421161,8.379506016175167,8.717576958776307,8.844307797197896,3.4937126264726737,0.739006871237913,0.0251551532119358,13.14521695020506,5.977850311567495,7.8976243705633395,1.7915700894891782,1.8555832950000648,3.988764463768221,0.2789382786380325,4.087089524104326,0.316191604544438,14.85668204776098,-0.9337994913802602,-2.149417405566577,-0.2789382786380325,-3.165305720484521,0.1209348094978154,-14.85668204776098,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,8.897772497595822,9.676326036561884,10.435816903350387,11.171460748722437,11.879413669784876,12.5568159793194,13.201759922655098,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_50,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1568643688515908,0.786161403467923,1.9466784842918223,3.688716629882044,5.455392972531324,6.651231503719321,7.283619322921984,7.579701135989857,7.690813900662721,3.0556478756378107,0.6056121847751292,0.0099867153344114,9.460155629710911,4.650342175999113,5.485325837373996,1.3500506899828726,1.8983625513484288,3.951346134411887,0.1603674195819671,3.181301908004166,0.5442560654596137,12.699161148381483,0.2946883555287565,0.4223776754525158,-0.1603674195819671,-0.988251001126981,0.4319988717522368,-12.699161148381483,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,6.875169935925015,7.69183845409497,8.493190433430454,9.274534337301176,10.032423146577266,10.764188622028758,11.467759571815192,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_51,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1593988451728084,0.7952670710068599,1.9853137392066464,3.8474561266037215,5.835878381716674,7.21825035164521,7.957323250701292,8.304884952754048,8.435543569759107,3.157464682878288,0.6118985055952113,0.0103756264525092,10.744591095717425,4.962760007274405,6.2279739649768215,1.391733212553622,1.2915705313092207,2.620318161578367,0.0430930772169897,1.6363151490451389,0.4951787917507743,7.319714200885898,0.8606397591393231,1.6720325890183545,-0.0430930772169897,0.5158951414034053,0.4650136376988815,-7.319714200885898,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0622,6.940435143376172,7.716217950115014,8.485973637862378,9.243447566186758,9.983825986992198,10.703244541290116,11.39859095948358,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_52,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1005506559771617,0.648128986318134,1.9880768073928576,4.001598757860728,5.929869372216038,7.198258983422432,7.861047249943849,8.16982144280658,8.285465943674593,3.286053699841516,0.4703817648021939,0.004935087215918,12.704350722494905,4.958744246571472,7.856533931400277,1.359678039301532,6.083966860480239,12.873481621513353,0.5480042384649422,2.967374630102088,0.6521569303380915,19.02346787633082,4.106846703899758,8.765113707739001,0.3895740287972689,-2.621132871975309,-0.5136602270873801,10.95505069898999,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0622,9.096790445560185,9.99570239988039,10.856739264240415,11.677115372231633,12.455087442289711,13.18977594666728,13.881057215969928,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_53,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.100453863758533,0.647378140127676,1.985552905454944,3.9976911786151015,5.926192435796291,7.195191470944147,7.858375161322903,8.167345145949684,8.28306445328391,3.2824087570403058,0.4698599205128552,0.0049291381424564,12.697138977708386,4.943702574769562,7.859180953898386,1.3549280321748658,6.1139732765779975,12.93793458846468,0.5516063575985247,2.987811373892999,0.6535132648178664,19.123151241060544,4.123499006816245,8.800451196171519,0.3907702378356248,-2.6452933425573266,-0.5165060522835974,10.977116293866189,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0622,9.048201057629369,9.95071020356676,10.815013496628788,11.638339897541323,12.418975400532837,13.156073679745376,13.849542778797147,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_54,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.100443105562972,0.6473807940188732,1.98575291627386,3.998625880133943,5.928071914422842,7.197718399085425,7.861237286893326,8.170361858334616,8.286138758210036,3.2830356795635742,0.469852752037197,0.0049278326276335,12.703416116945238,4.946215227989624,7.862226784235517,1.3552170791850429,6.116189505136291,12.942560917292017,0.5516691750091453,2.984443288919646,0.6535388378559673,19.121165139120844,4.1289384438372,8.812160728518894,0.3914682770270806,-2.642258586326528,-0.5166649568187198,11.002205706872662,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0622,9.046620628013232,9.949194989303804,10.813588478933717,11.63701658925464,12.417756813577409,13.154957608342915,13.848523983746244,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_55,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1005474599708978,0.6481250183058536,1.987972531231108,4.001278379997026,5.9294116409389686,7.197749792805485,7.860521329230974,8.169289841271668,8.284932541181739,3.285804267536636,0.4703798714585557,0.0049346244946197,12.702555747767413,4.95777107619084,7.8559142006448495,1.359516289505922,6.084582114092833,12.87487827756772,0.5481919465843582,2.9705260670203666,0.6522265755277511,19.03074889187625,4.104829031042167,8.76073882384795,0.3892570058840583,-2.6243289228037407,-0.5137477178411008,10.942365542781124,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0622,9.097316302764032,9.99631781405092,10.85741121479263,11.677817350995568,12.45579908586061,13.190482244408065,13.881747564899657,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_56,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0614362349555666,0.465053159239564,1.6559545818896808,3.5552139572083195,5.374890353715866,6.566872895612414,7.188718988869808,7.478262710699357,7.586685039101983,2.877901504525655,0.323880813975309,0.003116376633386,9.99273913818242,3.744969584316297,6.120728523563496,0.8824522349846923,8.24081484134565,17.54440903727085,0.907984395868988,8.52646402124828,1.1202254999641548,31.434557824859265,1.0634864747200483,2.317482982134597,0.0224457357375817,-8.52646402124828,-1.1202254999641548,0.4407047202600416,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0622,13.011348010568632,13.97530780588891,14.850423089866956,15.643128424560986,16.36014157173497,17.008172103945515,17.593711345809385,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_57,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0776368168584667,0.3552381466286143,1.1609379510386904,2.928785775264046,4.925871815316095,6.311430394484843,7.048710685667243,7.394547580351492,7.524413706890247,2.2468584381020125,0.2705689920118173,0.0062305880274903,8.38971829367664,2.225826474340841,5.296801527677814,0.2392989286581597,7.163016258687233,16.083366423543115,0.8253435244305337,9.410883921229708,1.0700781370650465,33.52876901366273,-0.6306954593345416,-0.488408588805798,-0.1721114444952644,-9.410883921229708,-1.0700781370650465,-1.3821548987402037,30.0,71.62060000000001,3.0,0.0,0.0,129.0,-7.0,-14.99146,-1.0,-15.0,-2.49,-35.0,RSM0622,15.351158144682866,16.081083217279765,16.720029725773866,17.285012024791573,17.789125068552043,18.24246648861455,18.652857104208515,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_58,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.078609869570608,0.440578016916102,1.3130647340487,2.83993151899176,4.504517773872905,5.669294833299671,6.294148827433816,6.588488995645145,6.699220493153849,2.2673225116051112,0.3268845271704818,0.0052704390301629,8.299225349581894,2.261031010187306,5.422510048944151,0.2772865638084351,4.921163002258169,10.433904610159065,0.5556208003875193,7.485724428808592,0.91678374978231,21.973248044121217,-2.413956366858525,-5.081770605571445,-0.3049001368475549,-7.485724428808592,-0.91678374978231,-8.144984759106379,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0622,15.369528797656791,16.068197163203443,16.692440165915027,17.254151345873918,17.762489641566773,18.22461553950406,18.646226973476217,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_59,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0674647590677176,0.3703597852748699,1.3813039415236197,3.4596373139568843,5.71552501336794,7.256488727659168,8.071296564410012,8.452487072446427,8.595475594932402,2.672664468491405,0.2689630604973906,0.0046693798814237,11.060952449204276,3.3559238767251456,6.734051090809022,0.4348363214628551,7.872653294290552,17.94824354544918,0.8269748331091981,8.0734265526909,1.113186453807364,35.9953781330543,1.749884815419306,5.024154885893681,0.1352789778617875,-8.0734265526909,-1.113186453807364,11.786023199394942,30.0,71.62060000000001,3.0,0.0,0.0,129.0,-7.0,-14.99146,-1.0,-15.0,-2.49,-35.0,RSM0622,15.41654663877768,16.116752592274903,16.745444037123637,17.313054324343042,17.827789511068396,18.29618775529422,18.72355584604477,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_60,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3796384830807737,0.9544760369443056,1.807696040958008,3.4657808508671395,5.343133872509689,6.645403064285775,7.337383456949854,7.661671794068325,7.783393313470184,2.8264180580146583,0.8216765678167999,0.0740361913211581,8.841062460209862,3.843540718894343,5.09849322570182,0.7713813661822672,11.989911061391467,27.77279668168474,1.347482534769265,11.402956592849518,1.3213487896529843,53.98197756494191,5.060311058652637,12.932107930676295,0.3575396772351457,-11.402956592849518,-1.3213487896529843,19.333977551247752,30.0,71.62060000000001,3.0,0.0,0.0,129.0,-7.0,-14.99146,-1.0,-15.0,-2.49,-35.0,RSM0622,19.445129736703485,19.97568653240157,20.401705595035285,20.74979959794331,21.038755506008787,21.28207634221876,21.489634563352126,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_61,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0614810118580956,0.465642920534051,1.657801324056238,3.550851108400405,5.3597115265520445,6.543660021657114,7.161200553642395,7.448727464283742,7.5563934817961425,2.876631718932738,0.3241757638364135,0.0031255729718049,9.9573066220766,3.734422201902745,6.103505335795558,0.8853680348743751,8.224560436201283,17.50918732794702,0.9055083941275576,8.500509086146828,1.1188282996573875,31.367436276701525,1.0662642345652733,2.323936096738342,0.0235740729490978,-8.500509086146828,-1.1188282996573875,0.4997350354554307,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0622,13.325640802508088,14.259884477334158,15.108731081091763,15.878143146175464,16.57445711283617,17.204062372334214,17.773174627091947,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_62,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0775933100708572,0.3553410884996988,1.158544485245685,2.9110638610164647,4.888199560349063,6.259944801011913,6.98997693781514,7.332442792123938,7.4610479910825855,2.2356393773085714,0.2705948614575019,0.0062233910701347,8.295627698813217,2.196683440900087,5.243228192391076,0.2353843841001145,7.208455758263559,16.1921778536652,0.82988967168472,9.4305933361614,1.0736474472719122,33.72336439863833,-0.5829860648936849,-0.3748406962996489,-0.1673427023477324,-9.4305933361614,-1.0736474472719122,-1.179768692497495,30.0,71.62060000000001,3.0,0.0,0.0,129.0,-7.0,-14.99146,-1.0,-15.0,-2.49,-35.0,RSM0622,15.5336346606593,16.239981917653022,16.859739867609978,17.408916121371146,17.899853233671866,18.342086613937923,18.74301458697627,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_63,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0784184898794039,0.4392750736984689,1.3116867573528792,2.8387935401042927,4.502806499958023,5.667020504592797,6.291566327677243,6.585763669877362,6.696442044797478,2.266217237552216,0.3258256516633378,0.0052735678010745,8.298927844142948,2.259375149469157,5.416774726766823,0.273734647155003,4.971656985653983,10.542822565198543,0.5615337484444903,7.498167346433974,0.9178506182130944,22.10622145078361,-2.3506441499527413,-4.947746464827104,-0.2994324648743661,-7.498167346433974,-0.9178506182130944,-8.027596015376366,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0622,15.755801756721334,16.403458756442607,16.985776962383888,17.512650828581783,17.991763471817226,18.42916320188155,18.82969544272474,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_64,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0675547790417574,0.3715973075862155,1.3872154669569552,3.47381599918857,5.738097535167544,7.284440730986968,8.101978864834942,8.484420556474085,8.627874209693037,2.6837785827978244,0.2696965272162442,0.0046797277761953,11.13378241696593,3.3889033010669563,6.767255387464872,0.4412371972248597,7.876585348077205,17.957886127361053,0.8277118328868861,8.078467538242581,1.112927835836769,36.012525192097925,1.7531333613173623,5.031654932574434,0.1352600380525707,-8.078467538242581,-1.112927835836769,11.776712372896894,30.0,71.62060000000001,3.0,0.0,0.0,129.0,-7.0,-14.99146,-1.0,-15.0,-2.49,-35.0,RSM0622,14.742041117661111,15.523315867321012,16.219266044666146,16.843220113181896,17.40560598687851,17.914669886432453,18.377037718542365,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_65,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3800203112751624,0.9545679954816626,1.8056182124670028,3.459708221548668,5.332785916107084,6.63212999886025,7.322566928094775,7.646134648124145,7.7675861458746756,2.821836274314731,0.8219571566199982,0.0741799551173204,8.804901687146177,3.825531132747519,5.089500572474559,0.7717287853517113,12.019321398298567,27.840951311840108,1.3507825602749255,11.43072198550203,1.3245784329697827,54.11430554661997,5.072968444195348,12.964383817937218,0.3584464239744658,-11.43072198550203,-1.3245784329697827,19.382540776103863,30.0,71.62060000000001,3.0,0.0,0.0,129.0,-7.0,-14.99146,-1.0,-15.0,-2.49,-35.0,RSM0622,20.122761927228314,20.552649342705173,20.89824231292705,21.18126058935642,21.41693170066304,21.61614150205257,21.786814243960983,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_66,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0614846409056194,0.4658207411657046,1.6582135242802696,3.5513006376108653,5.360062323671738,6.5439079790614665,7.161385606561782,7.448881276756601,7.556535290340679,2.877091634035445,0.3242980373355394,0.0031236079983065,9.95830189687527,3.735976961723381,6.104216482458965,0.8861469508561188,8.22479798192,17.50962707127513,0.9054524779777507,8.499355182468655,1.1189303567571622,31.367302237017302,1.067285515777803,2.326183571260368,0.0237558717920293,-8.499355182468655,-1.1189303567571622,0.5079210205170563,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0622,13.351653530353431,14.28336893080193,15.130087526321589,15.897676498639395,16.592404776426363,17.22061378570809,17.788484669677082,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_67,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0775915501801386,0.3553465748887424,1.1585974838730084,2.911244109062729,4.888597722951626,6.26051725615388,6.990646685349003,7.333159004911404,7.461781773035509,2.2357607586401214,0.2705950388398866,0.0062231325176031,8.29538445350836,2.1968348623119334,5.243399317832131,0.2354883147085112,7.210337875025564,16.196829034167983,0.8300442933100466,9.430317422797131,1.0737507526490244,33.7309926058057,-0.5797756769623605,-0.3673342687477987,-0.1669880735037261,-9.430317422797131,-1.0737507526490244,-1.1651402326763385,30.0,71.62060000000001,3.0,0.0,0.0,129.0,-7.0,-14.99146,-1.0,-15.0,-2.49,-35.0,RSM0622,15.645610690816929,16.336960611729868,16.94458293108975,17.48380874365932,17.966486979843264,18.40178837984336,18.796838396978856,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_68,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0784243092608832,0.4393356807565586,1.3119893351068996,2.8401295591229374,4.505488401926468,5.670626149421352,6.295651474136298,6.590070377542621,6.700831375922562,2.2671157204839543,0.3258710559947954,0.0052729266085123,8.307325382675446,2.262151006180974,5.421464347368842,0.2740673907334218,4.976715387200154,10.553680293828403,0.5621262509495455,7.501588876608804,0.9182286668296852,22.12258581053797,-2.3472000296165354,-4.940453859994653,-0.2991747151911835,-7.501588876608804,-0.9182286668296852,-8.022948004387542,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0622,15.78004742392953,16.424356962169057,17.00402721986312,17.52876439402004,18.006122279360138,18.44205843394132,18.84135332886263,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_69,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0675274275596933,0.3715275668293876,1.387389693591976,3.475007618451777,5.740416173620772,7.287472601804116,8.105367241293091,8.487970878040034,8.631484493790202,2.684566379074046,0.2696340215476959,0.0046760011254849,11.143021433962392,3.3923206920326847,6.772052809039555,0.4414573961177324,7.873507693449199,17.950895452549883,0.827292944587405,8.07397449247986,1.112597031823634,35.998153169469994,1.7533074430536686,5.031713752964024,0.1353885690628817,-8.07397449247986,-1.112597031823634,11.78150002611168,30.0,71.62060000000001,3.0,0.0,0.0,129.0,-7.0,-14.99146,-1.0,-15.0,-2.49,-35.0,RSM0622,14.766535025935273,15.544830641019516,16.238337893387484,16.860264023914514,17.420945736433357,17.928560900635972,18.38968404859197,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_70,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3800508641219866,0.9546151976010884,1.8058719941386068,3.4606115371034654,5.334307528059551,6.633995923285317,7.324592351051543,7.648229848424496,7.769706764398578,2.822493617930343,0.8219971797285548,0.074193932224143,8.811468885491257,3.827925052533596,5.092027859605687,0.7716843866942181,12.012132264048638,27.824043239893378,1.3500191823686982,11.425628000919325,1.3238840611832594,54.08266601615178,5.067854319069715,12.95191966260284,0.3579794759431374,-11.425628000919325,-1.3238840611832594,19.36127629125715,30.0,71.62060000000001,3.0,0.0,0.0,129.0,-7.0,-14.99146,-1.0,-15.0,-2.49,-35.0,RSM0622,20.100319018113765,20.533524472381192,20.88177301396353,21.16694226234268,21.404375746862563,21.60504520652264,21.77693910334826,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_71,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0614158862230815,0.4649218040790939,1.655766287278142,3.555108852651943,5.374855079903309,6.566858438719328,7.188707196082899,7.47825030177902,7.586672102583623,2.877762688063531,0.3237785563729889,0.003115399581058,9.992985932877817,3.7443466197916138,6.120872693986136,0.8821779585598237,8.23897041350124,17.540488792054546,0.9077840217108064,8.52442520683537,1.1199437669017434,31.42730773501296,1.0634527603018595,2.317393957062932,0.0224582956695036,-8.52442520683537,-1.1199437669017434,0.4409073235673562,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0622,13.017673603494536,13.980925126528067,14.85545435035338,15.647668079438732,16.36426315017999,17.01193363584493,17.59715939393403,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_72,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0776166958279486,0.3552228117913181,1.1611144490681389,2.929196122648573,4.926417502616689,6.312034860575626,7.04933858221642,7.395184897592391,7.525054321984307,2.2471991399824285,0.2705416739284527,0.0062274007061606,8.39122065446426,2.226950818009937,5.297266769039275,0.2393787344504891,7.1669644406649695,16.092587184223458,0.8257853659878885,9.414268163865332,1.0704702114531488,33.546358120855906,-0.6284956336108523,-0.4829518828067854,-0.1719384852824767,-9.414268163865332,-1.0704702114531488,-1.373976673606875,30.0,71.62060000000001,3.0,0.0,0.0,129.0,-7.0,-14.99146,-1.0,-15.0,-2.49,-35.0,RSM0622,15.34523613225486,16.076167361942726,16.715934647185765,17.28159168880723,17.78626281982615,18.24006807430337,18.65084567882377,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_73,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0785858208193225,0.4403348471464949,1.3124937191383517,2.83956687298861,4.504882813413224,5.670291246550733,6.295505292826259,6.590018698927493,6.700815879869864,2.266799243063447,0.3267081519706164,0.0052717564660867,8.3010034914322,2.2607057557805303,5.423560689064951,0.2767432558770901,4.918889980701738,10.4289986939185,0.5552706600944013,7.481110275727005,0.916476234965708,21.962526923486767,-2.4122966663951457,-5.078173945868219,-0.3046113286637422,-7.481110275727005,-0.916476234965708,-8.133342683048257,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0622,15.409518114104776,16.10191171536371,16.721234779868404,17.27901977586171,17.78417563296885,18.243686283104456,18.663122502357265,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_74,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0674688431331908,0.3705460018061184,1.3822570124516054,3.4616713678632425,5.718312625421628,7.259622760464612,8.074571210468575,8.45581869363945,8.598827228843037,2.674343961718838,0.2690664763885466,0.0046695425424381,11.070272418844125,3.3613528000749624,6.737854388678263,0.4360525073668226,7.876503375008385,17.95673318344592,0.827684205393205,8.082584317414574,1.113521597057196,36.01443570715371,1.7465856761007894,5.016980539683072,0.1346246997177124,-8.082584317414574,-1.113521597057196,11.757353008511467,30.0,71.62060000000001,3.0,0.0,0.0,129.0,-7.0,-14.99146,-1.0,-15.0,-2.49,-35.0,RSM0622,15.53961304541896,16.224506847123894,16.840725680615183,17.398011754474844,17.904081261906732,18.365117600265283,18.78616554827696,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0622_75,RSM0622.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3796124944985757,0.954425564792606,1.8075632309413647,3.465727281760727,5.34332793711949,6.64581037718121,7.33791300235775,7.662260385248818,7.784004335998081,2.826308771025372,0.8216362959995087,0.0740264322625948,8.84247823628679,3.843648275260662,5.099470455569687,0.7712423476093937,11.989489454019775,27.771776148484484,1.3474428171706136,11.402855396604782,1.321319163002079,53.98020455783944,5.059775438150086,12.93084322272022,0.3574836720463723,-11.402855396604782,-1.321319163002079,19.33163447849098,30.0,71.62060000000001,3.0,0.0,0.0,129.0,-7.0,-14.99146,-1.0,-15.0,-2.49,-35.0,RSM0622,19.423752966723573,19.957387708098818,20.38588594859053,20.735997603428903,21.02661300869733,21.27131283220225,21.480028091837664,O.[Ni].[O-]C(=O)c1ccc(cn1)C(=O)[O-].[Sr]pcu.cat0,"linker [O-]C(=O)c1ccc(cn1)C(=O)[O-], nodes O, [Ni], [Sr], topology pcu"
RSM0064_0,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,31.0,69.723,4.0,13.0,1.81,122.0,0.0093821018568461,0.3253291388552787,1.7101470748599334,3.987847804400333,6.102309707937609,7.450083638941839,8.143012930815729,8.463484728915093,8.583149687821408,3.182103913441953,0.1873868718724627,1.740576774091578e-05,11.80788987274709,5.267318971340937,6.327446004564599,0.8736306931381289,23.12192914626946,53.98472798844753,2.017418449467065,3.156766045203584,1.6084011226608397,56.60964573134727,-23.12192914626946,-53.98472798844753,-2.017418449467065,2.738723257994027,1.6084011226608397,-56.60964573134727,-23.0,-53.7236,-2.0,3.0,1.63,-56.0,-30.0,-68.71506,-3.0,-12.0,0.3900000000000001,-91.0,RSM0064,17.81831928937121,18.324119637079303,18.736088211166603,19.07496480641966,19.356350211707724,19.59207577901532,19.791193689205315,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_1,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,31.0,69.723,4.0,13.0,1.81,122.0,0.0088510096477507,0.3214182086284798,1.7175177214915631,4.0144653424979895,6.132943825449412,7.477175009843877,8.16681720259086,8.485478320821754,8.604423357936303,3.203563657523495,0.1838991956054282,1.492029759583284e-05,12.000470644520508,5.323552637198556,6.414962896854663,0.8817003042296166,23.155857543323403,54.05739030377588,2.0222653633319148,3.200388269987233,1.6023909494684254,56.77928771661703,-23.155857543323403,-54.05739030377588,-2.0222653633319148,2.6660195500212773,1.6023909494684254,-56.77928771661703,-23.0,-53.7236,-2.0,3.0,1.63,-56.0,-30.0,-68.71506,-3.0,-12.0,0.3900000000000001,-91.0,RSM0064,17.519345255553716,18.069045478401044,18.515921310901053,18.88288581107482,19.187136428426463,19.44168251581138,19.65645244476324,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_2,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1307203844750891,0.4667761312908697,1.4070015018083144,3.3747165023594903,5.540156274212303,7.026451921465571,7.813733505133813,8.182301327399575,8.320592470147341,2.6247000553422883,0.3667065617932526,0.0174483725252602,11.54536578275146,2.8606009150735465,7.704078840215519,0.4951922175508698,3.810572067256916,8.325969001631792,0.7045078120464031,9.44663456362814,0.3747524223423217,30.262686506963632,3.810572067256916,8.325969001631792,0.7045078120464031,9.44663456362814,0.3747524223423217,30.262686506963632,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0064,2.77471818335428,3.3871537768287614,4.036444581921866,4.704341627813408,5.375645642877805,6.038738896753508,6.685420026582729,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_3,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1427001814483914,0.4876450254255483,1.3547367684478493,3.108862920471522,5.099340630746445,6.498648288896693,7.248615900214294,7.601550622382809,7.734260515922667,2.4352702153093,0.3868586533663268,0.0207044060942663,10.185297000020295,2.26922331286647,6.880231531593062,0.2970445624176588,3.7290557776004194,8.145491869823216,0.6871412302167949,9.22618561933478,0.3710400143756963,29.45460722717354,3.7290557776004194,8.145491869823216,0.6871412302167949,9.22618561933478,0.3710400143756963,29.45460722717354,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0064,3.064988506744705,3.724812888905108,4.407188151760595,5.094524685101296,5.773050528926949,6.4328519691721855,7.067425829806689,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_4,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1428987822174709,0.4789796389006373,1.2728482323699286,2.812534515009802,4.549058673879278,5.775887541473957,6.436034023133503,6.747337682689089,6.864498411562132,2.2248025587202123,0.3825723437231693,0.0208088083640935,8.450755413083602,1.922405765698676,5.612551245865012,0.1995358525867115,3.400704478567841,7.397541008316017,0.5968380825445345,8.175409138924119,0.394242088191687,24.775143385278213,3.400704478567841,7.397541008316017,0.5968380825445345,8.175409138924119,0.394242088191687,24.775143385278213,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0064,3.616416284550266,4.308577996131761,5.014748657128708,5.718189874483464,6.406311986785414,7.070435619497147,7.705198853953499,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_5,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1522628750582101,0.4927875544723611,1.2426095373435044,2.6375746619134413,4.233937387369535,5.382613607335596,6.007005835559984,6.302840128464558,6.414399284158611,2.104901322919132,0.3964875451146994,0.0235682348952597,8.160646384478472,1.7011693180666356,5.433648397112689,0.1093693335668869,4.149606882150576,8.999263656076746,0.7017343873092827,9.763481980624835,0.5308230863521006,28.373372700896912,4.149606882150576,8.999263656076746,0.7017343873092827,9.763481980624835,0.5308230863521006,28.373372700896912,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0064,3.793145726773116,4.502745276902948,5.212681535611212,5.908778103772466,6.580694049931169,7.221492407058781,7.827013191423845,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_6,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1298974208720717,0.460111509384107,1.3040667935765309,3.0753373501305274,5.115267430531511,6.553827353820934,7.325140630488178,7.688110892056789,7.8245880249133135,2.389818254359773,0.3637171468504452,0.0172305234860454,9.968359251399333,2.2023695201797886,6.750560208587498,0.2871605480724484,3.749035545226477,8.188903074386559,0.6905985730149414,9.273824129346009,0.3734484932227669,29.59672238491352,3.749035545226477,8.188903074386559,0.6905985730149414,9.273824129346009,0.3734484932227669,29.59672238491352,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0064,2.806925704785699,3.421357259233476,4.072116738794674,4.740963757913305,5.4127467202773705,6.075915039203844,6.722340100127804,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_7,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438870255134447,0.4943206929387811,1.4086409127251207,3.255880685181288,5.311634383143794,6.740987735837884,7.503528053296829,7.861705690537686,7.996287114851034,2.551173352756683,0.3908888757278243,0.0210253159438901,10.87048828389247,2.5813811256927712,7.24425735282596,0.3737828749700826,3.715777448193729,8.11542649174375,0.683665277677801,9.185099669616138,0.371648568800332,29.27768219647743,3.715777448193729,8.11542649174375,0.683665277677801,9.185099669616138,0.371648568800332,29.27768219647743,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0064,3.061334381407838,3.715696285969353,4.392156801714745,5.0736192657684365,5.7466373302416605,6.401474211088985,7.031691919216247,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_8,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420140221740428,0.478785017559985,1.2737964180075545,2.776635492700482,4.449820248732102,5.628898465209952,6.263239256397151,6.56240694243223,6.675008962137588,2.206848105711182,0.381799181553148,0.0205544717749064,8.256773044268467,1.9168278501134213,5.42231767975843,0.1949965097387812,3.3312398128549345,7.245121174165002,0.5833726669942689,7.998221148809088,0.3885779661061917,24.179887625324145,3.3312398128549345,7.245121174165002,0.5833726669942689,7.998221148809088,0.3885779661061917,24.179887625324145,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0064,3.557670052751271,4.243813578298822,4.945627604169865,5.646274436002276,6.332974587713869,6.996830711445245,7.632269676218895,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_9,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1506775279146085,0.4974600342762446,1.2770181239992702,2.703353670114095,4.326564204423345,5.494018626109674,6.128650987940549,6.42934998590582,6.542745765891656,2.160615760806292,0.3978613671754335,0.0230552564563213,8.42191325753206,1.798042071512789,5.589598515868593,0.1243314159735943,4.012139972242012,8.702118896863208,0.6794381657038729,9.447645297872995,0.5114557269529334,27.49997173806105,4.012139972242012,8.702118896863208,0.6794381657038729,9.447645297872995,0.5114557269529334,27.49997173806105,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0064,3.553812850870046,4.251783689985087,4.955631657702503,5.650221311526315,6.324252705040929,6.969920031395267,7.582321784983189,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_10,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2280423442874963,0.5489124228627216,1.2366664218485754,2.661749930231923,4.254656633396126,5.363421581583201,5.95562035357121,6.23398627402724,6.338614731579722,2.116270316058146,0.4671556226123197,0.0530919563119104,7.40742927786558,2.1448380353283696,4.310580258869386,0.2244049448081648,5.677045095554556,12.213496790976944,0.8036998636131557,11.65079020632625,0.9397362135016434,28.210228492818125,5.677045095554556,12.213496790976944,0.8036998636131557,11.65079020632625,0.9312703572505916,28.210228492818125,30.0,68.71506,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.3900000000000001,0.0,RSM0064,3.7573930703902993,4.307808563898612,4.805524755633362,5.250280372349343,5.645000779330251,5.994094619529877,6.302452536396894,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_11,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2218046060780887,0.5419452758440289,1.235413268281537,2.6696423839116603,4.266177041331176,5.37523168009808,5.967084367475533,6.245188884995433,6.349704129852204,2.121544115826153,0.4600395275472008,0.0502551272634728,7.486397337086266,2.1773506923659056,4.353241882925979,0.2284591059824219,5.748043152304086,12.364307370204587,0.812653669785393,11.793533721095862,0.9545620476201068,28.48191975379595,5.748043152304086,12.364307370204587,0.812653669785393,11.793533721095862,0.9460983272438384,28.48191975379595,30.0,68.71506,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.3900000000000001,0.0,RSM0064,3.007206622232522,3.538422999238388,4.039232812727059,4.502801856412867,4.926658478762554,5.31111038443326,5.658086006750101,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_12,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2014522877495651,0.8757804688004275,2.1095488209801525,3.921941727216724,5.76643544730577,7.029842636033476,7.702900842273354,8.019140746506444,8.137996521801673,3.2652427051915773,0.6838272356521359,0.0201191402377134,11.084890224786337,5.26686546174923,6.67020786158253,1.6252109640548844,2.3285631124787955,5.124124214291438,0.465712622495759,6.054264092444868,0.1629994178735155,20.95706801230916,-2.3285631124787955,-5.124124214291438,-0.465712622495759,-6.054264092444868,-0.1629994178735155,-20.95706801230916,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,9.211170508704514,10.032090252965768,10.82072299793398,11.574338555940567,12.29095683564924,12.969393478062194,13.60923330714617,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_13,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2212400730091073,0.9214921220497494,2.2006364544163723,4.031655986605485,5.82759715842951,7.035946089049383,7.67529232244584,7.974902294272666,8.087393850677651,3.377637756826492,0.7232474969558949,0.0240187756235689,11.526196237656608,5.795768404521105,6.717331313192124,1.7846157518669288,2.3534742715242456,5.178942515151222,0.4706948543048491,6.119033105963038,0.164743199006697,21.18126844371821,-2.3534742715242456,-5.178942515151222,-0.4706948543048491,-6.119033105963038,-0.164743199006697,-21.18126844371821,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,8.035928981606519,8.7987484593015,9.535104645436435,10.242502830991674,10.919025650580302,11.563353994255747,12.17476154666826,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_14,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2101229784832561,0.8817321130997052,2.108822870681038,3.860684608818148,5.590629893945521,6.7621355042432,7.384159677500722,7.676123679154722,7.7858186617286895,3.2340631629435377,0.6909586631650274,0.023227419240776,10.52198264923517,5.282127075571049,6.172186595918693,1.6366856676159625,2.371446577622882,5.218485402444608,0.4742833923651699,6.165713716544242,0.1660123663574888,21.342900735417807,-2.3713873460288166,-5.218367273914984,-0.4742833923651699,-6.165654484950176,-0.1659860082981297,-21.342900735417807,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,9.150367772716024,9.988727174969563,10.798771643176062,11.574891390697005,12.313213894018762,13.011425097891893,13.668525354682922,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_15,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2236249471741492,0.9122507928463364,2.176424401436528,3.965973492047562,5.6830692335291655,6.822362338188252,7.42129097108236,7.701180995262616,7.806149943869285,3.3315267773015966,0.7170946547796835,0.026292705991105,11.22525010772375,5.766134190048016,6.472726163968308,1.75891724276445,2.4681456297367523,5.431250602886094,0.493597895481714,6.416928793590463,0.172828751204641,22.21268605831804,-2.4678333250803868,-5.430627758094672,-0.493597895481714,-6.416616488934098,-0.1726897756325583,-22.21268605831804,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,7.545509607145634,8.348141667788013,9.127445150191573,9.877496808981464,10.594120031581967,11.274628481964212,11.917577485365122,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_16,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2009257492593417,0.8758216943687654,2.10858199328834,3.8754423731062704,5.630211719109853,6.82083893470407,7.453271373251688,7.750138695356866,7.861676254356288,3.241892416343247,0.6836159595334002,0.0199139487293704,10.54256621672211,5.252792125847472,6.225373228228336,1.630374167183929,2.425478752860589,5.337392120564874,0.4850957505721178,6.306244757437533,0.169783512700241,21.8293087757453,-2.425478752860589,-5.337392120564874,-0.4850957505721178,-6.306244757437533,-0.169783512700241,-21.8293087757453,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,9.226069492728152,10.041921928665149,10.8259494291,11.575568824410915,12.288853983331377,12.964608640153566,13.602365307640133,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_17,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2232126894347227,0.9293334634845928,2.2277294309245246,4.090171046006338,5.924843506426159,7.163279990298777,7.81949197653898,8.127185121842006,8.242737931188012,3.424178063620376,0.728999529697878,0.0243821404914572,11.796844530438934,5.968793540904444,6.833558659835131,1.8173207251895591,2.430091251537215,5.347542163752721,0.486018250307443,6.318237253996759,0.1701063876076048,21.87082126383493,-2.430091251537215,-5.347542163752721,-0.486018250307443,-6.318237253996759,-0.1701063876076048,-21.87082126383493,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,7.869192130136054,8.627194636516029,9.358644458208463,10.061313799937723,10.7335316126822,11.374146330368776,11.982513334941917,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_18,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2085464167288331,0.8800641767471411,2.123774274897272,3.884205535685983,5.58232671894054,6.715395524166574,7.312953351286703,7.592621705333763,7.697573825692752,3.2594657002038274,0.6885635435618188,0.022927320370974,10.531107648481852,5.4097195472278825,6.118365815094625,1.6595411065855077,2.385732491661075,5.2499284059897615,0.477146498332215,6.2029044783187945,0.167001274416275,21.47159242494968,-2.385732491661075,-5.2499284059897615,-0.477146498332215,-6.2029044783187945,-0.167001274416275,-21.47159242494968,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,9.147850489835694,9.988884445682128,10.80127834649793,11.579436381789158,12.31950680124975,13.019198420064107,13.677535631471793,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_19,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2272976640467133,0.9276558028091167,2.213324275865044,4.03840348636581,5.782365690309887,6.933255706610592,7.536310143790513,7.817684406378153,7.923139155065271,3.3916565838380204,0.7295147141304932,0.026192919653738,11.516914439001702,5.9336316341907525,6.6077814174720375,1.81656823539458,2.4647660839430987,5.423109686561503,0.4922391121808552,6.40267898138994,0.1738725720155751,22.1686126633326,-2.4576250378654536,-5.408867941316552,-0.4922391121808552,-6.395537935312294,-0.1706948065110232,-22.1686126633326,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,7.33262558266509,8.106572586580507,8.857212942228843,9.580008204108202,10.27176030723072,10.930369555145337,11.554651751254152,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_20,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0938319132128391,0.7024722890524298,2.168405016819457,4.180659562034911,5.957278986924561,7.082637789779771,7.662372311537157,7.930993173544201,8.0313912217261,3.489252169304625,0.5022669305841363,0.0031534484968533,11.928654996434432,5.824565519311093,7.018076424194283,1.708443810549427,1.243634307191538,2.726894058963658,0.2392333521655605,3.157501124516022,0.1048547313898083,11.0028385792689,-1.148699214464067,-2.5375602567826268,-0.2392333521655605,-3.062566031788551,-0.0626086151260838,-11.0028385792689,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,7.652064865417477,8.435452091032108,9.213112991499449,9.979751084973564,10.7295672173299,11.457167334628716,12.15807255877787,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_21,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1547916983168704,0.7727088322145177,1.9055140451105703,3.664231017450932,5.4756916767235895,6.705061917492126,7.35513354128615,7.659406965600353,7.773575137422526,3.0196119932707988,0.5968978091654323,0.0096165241373533,10.020090053578096,4.526617608425297,5.92977668046144,1.2804335631673076,1.933262444603392,3.9925063435856223,0.1327866724773253,2.995555824421995,0.6113267769535244,12.322045672563467,0.6053957198301381,1.0704665666523887,-0.1327866724773253,-0.456897659988465,0.5183761062193968,-12.322045672563467,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,6.262094774331257,7.053350470377727,7.841982756693846,8.62119523338244,9.385338408666962,10.12963423320188,10.850124335424203,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_22,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1086557185555931,0.7577920066846969,2.286232287547754,4.393183264264003,6.242186978321221,7.398169404151486,7.988348832821324,8.260565221015586,8.362105736274161,3.668765724423087,0.5471244787190594,0.0042467658389252,13.069766475432722,6.538980598057981,7.543226113649661,1.8983911117981944,1.27869800034402,2.800854301127428,0.2431430773138287,3.2238426188546505,0.11312734018966,11.256351547996676,-1.1527327727942671,-2.549635549563578,-0.2431430773138287,-3.097877391304897,-0.0570728139300199,-11.256351547996676,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,7.735970834885266,8.436628684017595,9.130367089072612,9.815853561986687,10.49026705182999,11.150156675155673,11.79206768826316,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_23,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1617884056281401,0.7932813003311805,1.955597741625905,3.7459883514545744,5.562621008106952,6.786653913363405,7.432300973916699,7.734247016640293,7.847507813314639,3.0934425499328984,0.6138591293794571,0.0104365930580834,10.410242272572738,4.810708189389292,6.058871091843416,1.3522322381006635,2.0640003053056586,4.2908337199322855,0.1692463807780188,3.41797135152981,0.6011431719022328,13.70492914208867,0.3715364975254699,0.5664791027939753,-0.1692463807780188,-0.9824345486986812,0.4826707053576196,-13.70492914208867,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,6.214682828379843,6.98668499294982,7.75242716151655,8.506885271443675,9.246019563821426,9.96634229962429,10.66481628048038,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_24,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0936305431495743,0.7009427475437167,2.164643645469514,4.1722901666997005,5.931144158311899,7.036265959914377,7.602911618048852,7.864883200052751,7.962703753974896,3.483660133288332,0.5011604465296228,0.0031548454894003,11.803926829378051,5.805504864513345,6.941069668201747,1.7055567179673323,1.2495554346220032,2.74074119141306,0.2412103765964132,3.1792384473933093,0.1037827122885164,11.07198470503828,-1.1625483313421294,-2.5672185749868435,-0.2412103765964132,-3.0922313441134355,-0.0650645513289726,-11.07198470503828,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,7.656860869937316,8.443023314672653,9.222558891869634,9.990364655508236,10.740820331746717,11.46868059940138,12.169582498570936,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_25,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1508077176020534,0.7623828500319063,1.8946739974696456,3.658850113947699,5.466977592085707,6.688731077950166,7.333367873202172,7.634807971972381,7.747868664699069,3.0128902438011176,0.5877134548357665,0.0091844898031381,9.971075965482452,4.495507789708944,5.897033522489225,1.264332628917343,1.970079406364574,4.073773140571128,0.1403917289725022,3.093213238144592,0.6134508440087937,12.658231611272914,0.5661621166395516,0.9843801408321504,-0.1403917289725022,-0.5569717151404661,0.5151766337280422,-12.658231611272914,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,6.269897485073571,7.074191696303024,7.877989442663763,8.673189120322352,9.45307713054662,10.212099299648166,10.945796651881595,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_26,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005503146880604,0.7301104297594111,2.2464486733881133,4.347107328575192,6.204539229885999,7.376409259354492,7.97810675259876,8.256410872235874,8.360346532429748,3.623783655349288,0.5236486083260684,0.0037026534964269,12.974727937382664,6.397160416462009,7.500292984902554,1.8145434858334304,1.3551908504829575,2.9715543774419606,0.2607438383539199,3.4411415573143165,0.1141652315513161,11.990831019493184,-1.2522475330562417,-2.7662493723319903,-0.2607438383539199,-3.3381982398876007,-0.0683554552964275,-11.990831019493184,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,7.7787588398626415,8.527250378417099,9.267498424025945,9.996342810290864,10.70969406535554,11.403383211905286,12.073699332928603,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_27,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1522025070686398,0.7654981135852008,1.916121047837167,3.708757666819504,5.530880052532315,6.758379981941831,7.405716968101007,7.708419914188798,7.821959218346167,3.054507502141325,0.5899705059714832,0.009467949436004,10.361800077105563,4.737089938322274,6.018062303144455,1.2989485022062803,1.9986473547377213,4.145824269120996,0.1550149049958997,3.238766594704919,0.598745125990974,13.0935348736066,0.4484983047787232,0.734640676935624,-0.1550149049958997,-0.7916209351884748,0.490234692493844,-13.0935348736066,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0064,6.246396930624763,7.045458646913215,7.843853518204502,8.633551031084654,9.40796715565714,10.161702022148416,10.890442003152629,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_28,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0680338432834171,0.3922004716448327,1.4423596441504445,3.426154502373988,5.456946034768335,6.808667995714581,7.516019438621564,7.845543934396044,7.968945272673339,2.693555535361305,0.282706486159455,0.0046098983247633,10.556671017143374,3.323186886624897,6.503460725749045,0.6489751536084087,6.086752880999455,13.437056847124158,0.6390115585061987,7.226129753890763,0.97469352055415,23.92292495737676,-1.010505176074984,-1.5799133166771877,-0.1975987145997229,-7.226129753890763,-0.97469352055415,-5.358434601330499,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0064,13.79347402046989,14.613952455053612,15.353122564374017,16.020189300805704,16.623400201254654,17.169985801694946,17.666228503701596,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_29,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0709304935974025,0.3929889222383761,1.4107688253408586,3.342881327429596,5.334243441115673,6.663902122336704,7.360600717577978,7.685333081275081,7.80696527789442,2.6273608808949924,0.2855733020978157,0.0050425680322312,10.537419649841446,3.184169597356937,6.510808450109272,0.5541388512969277,5.482166234234016,12.118202872798731,0.5719335674213882,6.358039850769201,0.8682570533643564,21.34760615874454,-0.7549060550547846,-1.07622743966163,-0.1608674648840637,-6.358039850769201,-0.8682570533643564,-4.300429971946278,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0064,13.885795822191024,14.700674678595156,15.429041924299996,16.082676495392853,16.671544011622622,17.203974175024506,17.686911582071208,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_30,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0654423501481639,0.3904976255698951,1.4596132792756271,3.401587506695441,5.291702169163564,6.5113642115037305,7.14035545642273,7.431514065552466,7.540264614567605,2.6972578022520146,0.2793695831898195,0.0042609410835899,10.223141601580563,3.4833807160219887,6.125803387575217,0.6840021253058869,5.714212250368417,12.631364175917607,0.6148000408811624,6.894574540340647,0.8859584117059558,22.444832246632444,-0.9378303141032732,-1.4746497154335203,-0.1994624812059324,-6.894574540340647,-0.8859584117059558,-6.054356026415875,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0064,14.09122866400952,14.931929544711156,15.680804398236338,16.35067552202506,16.952087421747894,17.493757145473527,17.982958042290875,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_31,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0710356308139846,0.3853132121390077,1.3779703067412528,3.2700075080395727,5.16310309985328,6.396480261868866,7.03469082167735,7.330497449762712,7.441038994264923,2.5745754961542886,0.2816928079881884,0.0050730348000292,10.197285086105529,3.230799573362803,6.148368677872831,0.525683035890625,5.378326856723289,11.900073469028708,0.5711448794360252,6.311444306255798,0.8320981939711253,20.93256612885573,-0.7322737191132366,-1.0477821497370772,-0.1671402587742814,-6.311444306255798,-0.8320981939711253,-4.907413708505003,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0064,14.430810917306982,15.218631817019764,15.915461652071905,16.536362078682167,17.09311536795325,17.595001209117108,18.049408304338204,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_32,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0667416513647341,0.3917190544511668,1.445606446166598,3.413585357325581,5.416049129268771,6.7467893210631935,7.442910589476652,7.767175254647644,7.888604001629558,2.689047808024228,0.2815114135973246,0.0044167172285543,10.353643287853124,3.2999224846752435,6.351404365070168,0.651334364196593,5.925942898970027,13.0833352942781,0.6249147839366254,7.067393462982258,0.9450530446099572,23.30709797425665,-0.9964452727445932,-1.5689718737439795,-0.1962628164387616,-7.067393462982258,-0.9450530446099572,-5.4341180388819,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0064,13.82498309967447,14.648326169694553,15.391178363058582,16.062076618846106,16.668867453389577,17.218560495697986,17.717336606164768,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_33,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0628945550320373,0.3795539258323933,1.3991592761492169,3.341019708702313,5.346232962319912,6.6850653534688425,7.386303739187775,7.713071926022333,7.835452585471961,2.621122139380325,0.2723574040766645,0.0039181804622046,10.5683418965567,3.225550893458176,6.464888324496791,0.5413331488399212,5.656917576343857,12.50635153953871,0.5929095993095777,6.588669466998136,0.8915963392104059,22.03792206712156,-0.7866357547930843,-1.1303049104837084,-0.1694068322182061,-6.588669466998136,-0.8915963392104059,-4.64315303635088,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0064,13.819068031633,14.653942515717857,15.409686075554658,16.09346508635336,16.712264779256163,17.272602406921198,17.780428736907393,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_34,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669114230839462,0.3947049896628576,1.4603291296031893,3.389572122310652,5.267167798729049,6.4792393992924815,7.104514620510149,7.394003129022974,7.502138279012605,2.690005511648922,0.2830903638868041,0.0044426151024371,10.21759983494318,3.4787220546415187,6.112920729949378,0.6710233339884396,5.78375666230839,12.787507975348754,0.6219975034032091,6.959369554070746,0.895004661327483,22.690403839532625,-0.9277319892163742,-1.44476331763892,-0.1997344883517295,-6.959369554070746,-0.895004661327483,-6.0702158718902295,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0064,13.936536365721802,14.782115997159616,15.535797619598876,16.210304154410988,16.81619438741483,17.362231118774734,17.85572952108637,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_35,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0691236068038983,0.3937404515628772,1.4180541300524017,3.323047846118432,5.223748579571997,6.464542590944112,7.107472859930887,7.405662717373756,7.5171256461595135,2.624926228782635,0.2850658029102841,0.004744053072072,10.296815706272303,3.271942723651271,6.26249468242814,0.5638821509991288,5.465190975030425,12.122929648142089,0.5735896748487473,6.125106121000033,0.826686706395946,20.887084516363185,-0.4450547630932833,-0.3968518309409498,-0.1370560912020394,-6.125106121000033,-0.826686706395946,-3.985517295414355,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0064,13.380193394397372,14.268876733634356,15.05938638206522,15.76563492745244,16.399220221347015,16.96975199493553,17.48520576942067,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_36,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.231875142362579,0.6411521942126855,1.6186791450269435,3.409971414495243,5.230265690125378,6.4370482192507374,7.067746752059852,7.361455490863224,7.471432701129961,2.750139958703586,0.52456498517924,0.0531011063534468,9.20698735317448,4.18995633878285,4.83409954598572,0.8866253051567383,8.94516723115465,20.36425358141662,0.9205535597019492,6.517202682833868,0.9339484895081896,28.67719202993308,3.5673349686529394,8.862557861260907,0.167490109846537,-6.517202682833868,-0.9339484895081896,2.3199712849936587,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0064,14.8631735816061,15.875364435352187,16.732440402952367,17.45955422593958,18.078508607010853,18.60764055030579,19.06212465095649,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0064_37,RSM0064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.225535483989075,0.6343866558600009,1.6218137905909518,3.4219538800912783,5.240101614593018,6.442147088565214,7.069700620548851,7.361821947142065,7.471186835233299,2.7605459013437064,0.5172944185284347,0.0502635694510642,9.287523076482854,4.230876811558307,4.860045032137459,0.8897526930829451,8.643602462128042,19.68196141964016,0.8890054203696864,6.263733092140882,0.8994280347191977,27.66182199831425,3.484952696634568,8.648023185894575,0.165651549957497,-6.263733092140882,-0.8994280347191977,2.3444365338876265,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0064,14.72991510252234,15.742483269824168,16.60123784716489,17.3309506504342,17.95311221089735,18.485812605376704,18.944039484425097,[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [OH], topology pcu"
RSM0332_0,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0052818765384204,0.1996767158813434,1.3085706437772469,3.737718952080698,6.336955242659892,8.084508591411879,9.000992120578083,9.428171111105508,9.588166710518673,2.8188240826595004,0.1118313952587277,9.2226173083931e-06,13.943349510180289,4.138440511309359,8.451256467066113,0.4729080128923932,21.938421098279928,46.79494575162879,2.228505579067307,6.346634692393141,1.1104661029248073,64.30328504331185,-21.938421098279928,-46.79494575162879,-2.228505579067307,2.233534269181616,1.1104661029248073,-64.30328504331185,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0332,19.29819309221381,19.7230759898353,20.06036808566218,20.33205935221825,20.55380396386357,20.73693680519042,20.889800539153928,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_1,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0045058588707805,0.1863834463584667,1.2803766387085116,3.73655725713771,6.375150912786243,8.14692107891711,9.07494922768426,9.507221217380824,9.669076793259356,2.804522281137424,0.1029532535543885,6.519323986869898e-06,14.079425753823068,4.122821309554922,8.527499377045906,0.4414848344196102,21.87722376490916,46.66399492440403,2.219864446386254,6.321420698953385,1.1213012800775666,64.004392422492,-21.87722376490916,-46.66399492440403,-2.219864446386254,2.3638606640008115,1.1213012800775666,-64.004392422492,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0332,19.86759352601665,20.206894410133632,20.474469308923567,20.68888554457876,20.86316108487528,21.00660997623281,21.126022225069185,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_2,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0049245986152688,0.1927007271642414,1.296087127688652,3.7397652426500376,6.355537910608953,8.112247526949451,9.032879099263164,9.46184541082812,9.62248726342701,2.8145981765709664,0.107166871004485,8.301311467663636e-06,14.06368824656705,4.138830014406914,8.517458699073064,0.4544498620031535,21.95948454952567,46.84020760204427,2.2316574440023724,6.357089890498054,1.1068839186872017,64.41859833253771,-21.95948454952567,-46.84020760204427,-2.2316574440023724,2.1872558984553527,1.1068839186872017,-64.41859833253771,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0332,19.088342107111323,19.516475489642342,19.856321611673525,20.13003689695414,20.35340166559516,20.5378449755087,20.69177965147374,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_3,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0048377716159391,0.1929645056369268,1.2977924345784817,3.7571527951385457,6.394025855006218,8.164071604770134,9.091174796473064,9.52302117307817,9.684718801585108,2.8249655902564803,0.107306430084189,7.310700553094037e-06,14.105552452888574,4.166889596358038,8.539556166704376,0.4585203964579432,21.82991430423501,46.56153679888442,2.212010252523222,6.290188220997201,1.1278660186597982,63.69114615545044,-21.82991430423501,-46.56153679888442,-2.212010252523222,2.4740036755792123,1.1278660186597982,-63.69114615545044,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0332,19.9035425993462,20.3146463259821,20.639792832978767,20.9009009071376,21.113464470419515,21.28863743458908,21.434589485539803,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_4,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1710548979603184,0.5841856427192589,1.8876091254972067,4.510243318946726,7.275901965622168,9.133271921625337,10.10770644752806,10.56202529844122,10.732208587938857,3.5274260265913298,0.4531135254372402,0.029409243495685,19.6430461946726,6.145375821217259,11.922081491830316,1.0155262358003414,3.3489903969513755,7.318948632418951,0.6173724538345419,8.113066712827067,0.3146909040363254,26.546078347147034,3.3489903969513755,7.318948632418951,0.6173724538345419,8.113066712827067,0.3122755725462213,26.546078347147034,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,5.478840547620349,6.225148380471635,6.940902572851788,7.621334444274907,8.26328713308589,8.86510317960692,9.426401262202786,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_5,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1473101965230238,0.5553812347751433,1.6515802015722365,3.7030589975786623,5.896577287846514,7.400360964885236,8.198725102684485,8.573056110559431,8.713611377220612,2.935006400541336,0.4287094020976431,0.0213853172446359,12.848215832825067,3.9099303502007503,8.170467889668023,0.9861589904772444,4.869736191114403,10.507771617115232,0.7207869135945952,7.67125268256607,0.3873204418079211,27.37702248918041,4.869736191114403,10.507771617115232,0.7207869135945952,7.67125268256607,0.3463782581403745,27.37702248918041,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,3.677906924381017,4.3581199706524725,5.047143044476951,5.730605344655673,6.3979688357882765,7.042046068665156,7.658412476643646,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_6,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1319408199888615,0.5417179961969258,2.004120478324217,4.892042203396511,7.788963378325741,9.675117656842728,10.650305348511658,11.10207517296551,11.27086062265884,3.828416240796713,0.4040873472431015,0.0175298783737044,21.301888395142782,7.309288708736478,12.446223357668863,1.365913094020934,6.0649677445812005,13.120485980891065,0.9259566540236036,9.534779193106647,0.3989732489157768,36.179773537459134,6.0649677445812005,13.120485980891065,0.9259566540236036,9.534779193106647,0.3445935290461396,36.179773537459134,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,2.839436785989252,3.458252069211724,4.104364785631604,4.762172491863743,5.419101457529972,6.06573546698568,6.6955265594538735,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_7,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1383947656614918,0.5156244060036967,1.6824724737533054,4.022636017818127,6.4846973360324185,8.13644449498728,9.00278536011742,9.406690093859464,9.55798830232056,3.146397704783804,0.3966797101365487,0.0193857824367731,16.09870648641628,4.812121810837406,9.828747263312977,0.628452156592127,3.770811281940528,8.19834597378696,0.655497448970722,8.899295048268755,0.4364183962860238,27.080263229149715,3.770811281940528,8.19834597378696,0.655497448970722,8.899295048268755,0.4348234539347433,27.080263229149715,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,2.655306265662135,3.270138020352162,3.920497566400721,4.58829919975401,5.258594513521956,5.919974951243354,6.564365283843747,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_8,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1085084467337676,0.514142532372443,1.5265998283363655,3.20144625090222,4.963163027148191,6.185880759029662,6.841203079721182,7.1499415323538384,7.266108105906788,2.584585469328193,0.384374163214339,0.0113066387423929,7.999007838171613,2.931584878074474,4.891418401266167,0.6734530895665356,5.856155473109101,12.592613889748792,0.8445641784111239,10.21237690309264,0.675471422002023,30.86741169350692,5.856155473109101,12.592613889748792,0.8445641784111239,10.21237690309264,0.6423245325154239,30.86741169350692,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,2.1269086848285608,2.58478415061433,3.0999258876433844,3.661073040994984,4.255945069246959,4.872935589443324,5.501979192173055,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_9,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1236069989657229,0.5113542189188333,1.802926091858752,4.419031698033979,7.177069670021531,9.027611358288494,9.997904854934012,10.450165864777066,10.619557910343634,3.4383911972172503,0.3841826418699467,0.0154110403043044,19.387926445339165,5.885522456317521,11.787683189523149,0.8936884472163582,3.3106240712567137,7.235959386878195,0.6116491974840113,8.060996414386546,0.3129111796827337,26.323532569058187,3.3106240712567137,7.235959386878195,0.6116491974840113,8.060996414386546,0.3109388864134358,26.323532569058187,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,1.9276860545279388,2.43099401420598,2.990299086335464,3.5891087298468545,4.212034515822364,4.846056426226385,5.480917593832837,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_10,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405403461909676,0.5501868021035089,1.673918401112606,3.759871719605126,5.954996239146346,7.446137941431949,8.23459874315335,8.603659521507888,8.742141594692779,2.98330861714128,0.4216989310779171,0.0193950645754877,13.096066126350449,4.08780589253442,8.251633768179405,1.0484465386746271,5.101186046950979,11.004162909849596,0.7485029670884522,7.773467746289097,0.387333685139592,28.310309763166547,5.101186046950979,11.004162909849596,0.7485029670884522,7.773467746289097,0.3415448665282989,28.310309763166547,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,3.2584057167049885,3.898823468086541,4.561120632216733,5.229196651248052,5.89058208222516,6.536282932870614,7.16031639873901,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_11,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1351166685553882,0.5528040920312461,2.031520616230613,4.926016348614288,7.821711363978708,9.705583573441212,10.679317974805176,11.13036418403733,11.29887184584864,3.8615077258423423,0.4123408411665164,0.0183368257237641,21.46108485255992,7.444677148498622,12.523127817095972,1.4118934283769988,5.723423374154787,12.39256925035064,0.8921793693783232,9.596663682300354,0.4085912528780882,35.2343795486577,5.723423374154787,12.39256925035064,0.8921793693783232,9.596663682300354,0.3635142791830645,35.2343795486577,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,2.869963269261192,3.4831827915234506,4.124379256592638,4.778020506150029,5.431453137970633,6.075100916819484,6.702229379698434,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_12,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1477747842962283,0.5363176504088157,1.716060114797059,4.0432971248453775,6.484036007965845,8.122739342736963,8.982952747799432,9.384181002020387,9.5345065043936,3.1739742489158096,0.4140770367491679,0.0220195988545346,16.278286145860253,4.87633687390451,9.94861601404315,0.6437250762718725,3.740747492318096,8.133070014242415,0.651235587337411,8.887370274402453,0.4386797110066078,26.90986590200613,3.740747492318096,8.133070014242415,0.651235587337411,8.887370274402453,0.4378060940628778,26.90986590200613,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,3.1066642981016224,3.754917120551772,4.427639991499634,5.107827417741535,5.781950603469314,6.440047740752529,7.075361930879421,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_13,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1079378496460378,0.515546801404962,1.5301989931956417,3.2021629992050253,4.959798954698993,6.180065382258327,6.834233837860512,7.142466545232193,7.258448960872686,2.586700291240833,0.3850662898911949,0.011139064441669,7.997754195533095,2.942460562521875,4.872978749852218,0.6802180801710067,5.634426212851036,12.11871087903404,0.8198670644360054,10.14471080757088,0.6742614888134982,30.09655712659442,5.634426212851036,12.11871087903404,0.8198670644360054,10.14471080757088,0.6459705813362231,30.09655712659442,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,2.0269782864527435,2.496287377680688,3.023488249495337,3.5966446428080414,4.20311487315856,4.831130064747179,5.47057171837197,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_14,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1373202738827607,0.5294648039120905,1.811105718749657,4.421767207656307,7.182331453102744,9.036541674017691,10.00916064202394,10.462583114084142,10.632421875159052,3.441741093689656,0.4028313748500329,0.0190272929492333,19.32263730756832,5.882147691670068,11.761060005706389,0.9061085410291836,3.3108979604020776,7.236236983026142,0.6108462508943936,8.022998360168671,0.309757452930846,26.279606163763685,3.3108979604020776,7.236236983026142,0.6108462508943936,8.022998360168671,0.3073453488288136,26.279606163763685,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,2.449138725836391,3.0447814143230274,3.681193364906699,4.339811671003135,5.005088252505364,5.6649955593405465,6.310875186636069,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_15,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1627398458641259,0.582614889636143,1.7022289738999274,3.787267572116901,6.006559694801052,7.524295864400804,8.329199635354867,8.70642516849832,8.848041337818918,3.008005692588363,0.4529512179559449,0.0260800289603176,13.26855417361436,4.129887857735912,8.38434996606247,1.051375262127224,4.882115864971675,10.53688274381765,0.7240648841030554,7.651077079753273,0.3781327061993548,27.56977307294529,4.882115864971675,10.53688274381765,0.7240648841030554,7.651077079753273,0.3363788119692393,27.56977307294529,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,5.554935636025178,6.23504893780227,6.894385969726298,7.527991262735074,8.13209113213615,8.704123462670033,9.242665420758524,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_16,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.135807912490746,0.5478675367316004,2.009622794925757,4.896248963806992,7.795252454353135,9.684122211838606,10.661010439358916,11.11362304833927,11.282731376438704,3.832697709825381,0.4099499002868598,0.0185630609445709,21.29272618001023,7.3410570946357,12.4295742947661,1.3844785252357563,6.110802949465922,13.220056351164386,0.9343834271019044,9.678002745357343,0.4079916253237826,36.52762555877103,6.110802949465922,13.220056351164386,0.9343834271019044,9.678002745357343,0.3540258343681681,36.52762555877103,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,3.006700223511217,3.645630331478359,4.306297418058184,4.973600152472285,5.635632833404964,6.283657214627577,6.911744994561313,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_17,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398652687338844,0.5190940457567574,1.6928284322213885,4.045507419719984,6.520113474429232,8.18031384456792,9.051142100332582,9.457154954736485,9.609245668623142,3.164716959077059,0.3994895311575397,0.0197857068190847,16.244626354448414,4.852081166695612,9.914547602319503,0.6236605651354856,3.704119718464987,8.056255980904846,0.6478548380800327,8.838790064861207,0.4305808032589677,26.849883655381937,3.704119718464987,8.056255980904846,0.6478548380800327,8.838790064861207,0.4299156211689308,26.849883655381937,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,2.69615837070906,3.314870120816909,3.967325050682331,4.635697995289744,5.305349193007412,5.965162188098284,6.607309337582668,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_18,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1095523594244257,0.5178597392527624,1.5401926764604068,3.2270831392253285,4.998008864335771,6.227216056189425,6.886230144133852,7.196768436086769,7.313622597308675,2.6065003725051565,0.3871262051195502,0.0115118976561481,8.127705191827532,3.0086012144234404,4.95093420887726,0.6904358860723704,5.822363850167798,12.519970964313917,0.8405323313872629,10.207655043884236,0.6767375324860357,30.72785857086156,5.822363850167798,12.519970964313917,0.8405323313872629,10.207655043884236,0.6444375056936222,30.72785857086156,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,2.04695538846062,2.520582484244517,3.051613670565953,3.6275286431065954,4.235291334484918,4.862937360891877,5.500325509751479,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_19,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1340194633970967,0.5262283607267674,1.818030420820265,4.426273535226215,7.1746054688623895,9.019632646640506,9.987464132184948,10.438682734208347,10.607701663572632,3.44910123693493,0.3986358635333594,0.0181442880649151,19.318194977416265,5.90707247191788,11.761783509874135,0.9271567784586938,3.3220983819961973,7.260283603321869,0.6123906960817358,8.039852077034151,0.3108134399368427,26.33458761871877,3.3220983819961973,7.260283603321869,0.6123906960817358,8.039852077034151,0.3083087807297655,26.33458761871877,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,2.231547814177774,2.810733641018834,3.436739427340821,4.090408227790555,4.755354782260999,5.418679528600348,6.070924254564038,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_20,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1359065077085698,0.5388325787367484,1.6529649592207694,3.725915391471964,5.911246305085963,7.397741443547953,8.184306074216105,8.552600096470735,8.690813409250811,2.953764139822474,0.4120522418547658,0.0182299226428444,12.940370849420756,3.984112109446416,8.181674315937599,1.0070484041167878,5.141775197813579,11.090648859309743,0.7547738659297877,7.916376901357737,0.4011220543438209,28.52397572197188,5.141775197813579,11.090648859309743,0.7547738659297877,7.916376901357737,0.3560534412519494,28.52397572197188,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,3.0373705582303416,3.666210387907872,4.322284235304454,4.988608762672389,5.6518681683438565,6.30234505590883,6.933471274629947,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_21,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1319161844071852,0.54689228671552,2.016956642459541,4.899514030498179,7.787390925458398,9.667400739246188,10.639409474285683,11.089709920367223,11.257947119119878,3.838740314306196,0.4072020209884494,0.0174808407243127,21.316922522637213,7.321285770809057,12.449114593961976,1.351219381752048,5.699197155021107,12.339764725463644,0.8880731017744307,9.554067641150835,0.4076534196818217,35.06186606113278,5.699197155021107,12.339764725463644,0.8880731017744307,9.554067641150835,0.3627764122942475,35.06186606113278,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,2.6924232813236904,3.271517214270053,3.885421923203985,4.518665368426352,5.158112153879194,5.793457957526271,6.417169488831143,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_22,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408061802112895,0.5259705558042234,1.7101563222922318,4.04795872271997,6.49780418027884,8.141635342250357,9.004286034039083,9.40659856523192,9.557322220792733,3.174887113376658,0.4039345092219013,0.020020138326039,16.307275268724762,4.904504990112288,9.95585994987026,0.6396400640302838,3.705050654531725,8.056696799758287,0.6465568875094995,8.834111227966822,0.4343152402330927,26.752326507281,3.705050654531725,8.056696799758287,0.6465568875094995,8.834111227966822,0.4337159824842422,26.752326507281,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,2.692814601503109,3.2955416366477683,3.9349759822721873,4.593338345894489,5.255708443441345,5.910547164572253,6.549574080806668,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_23,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1079805230360281,0.5100353434603213,1.5251440588213294,3.218450577443132,5.000930128773438,6.237306942906415,6.899676828609889,7.211673879338393,7.329056748045659,2.594265695744152,0.3812484948103873,0.0112537009884876,8.141432383861801,2.9657846931222687,4.916647581020182,0.6472607332169995,5.606248914056604,12.056593376783477,0.8142116553400122,10.076640305862089,0.6732010013992773,29.83927209676696,5.606248914056604,12.056593376783477,0.8142116553400122,10.076640305862089,0.6449839758390279,29.83927209676696,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0332,2.0757086126159185,2.536904987343382,3.056057199351567,3.6216405912772616,4.221200033096089,4.843010524406684,5.4769210203266345,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_24,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2539497371896143,0.9905087912586584,2.526033175952865,5.101312452389664,7.737891064535694,9.508659721430416,10.44005742602199,10.874990294266862,11.038027959740026,4.155330892600189,0.7795305056267005,0.0331693334924005,19.879761064988635,9.324411877442676,11.005608084173392,2.24644237961429,2.411643692060457,5.258845957728763,0.4352977711057255,5.894025860906261,0.2675800897876001,20.7641738824168,-1.9413340189967985,-4.320107850293702,-0.4352977711057255,-5.423716187842604,-0.0371283499864074,-20.7641738824168,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,9.055851776784936,9.890590468856647,10.687148368250527,11.44541199526124,12.165054577052215,12.845792401635384,13.48760319501564,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_25,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2233870337731806,0.9326176607783896,2.35002650571232,4.699095523902774,7.133492879262073,8.78011475320702,9.648943277313554,10.055209826304967,10.20758628721876,3.832705303161808,0.7298278698183733,0.024644348467565,17.30362849025437,7.8883447932365796,9.833619141101028,2.0497972576942405,2.941548099066383,6.410907634824397,0.5211885236065369,6.805045284776658,0.2934007466551651,24.213477958036595,-2.0903306645625035,-4.662003242236676,-0.4851872291192404,-6.349842089633039,-0.0703511810347914,-23.34944689034148,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0332,9.399380367583044,10.162341125001122,10.908318578207432,11.631177646124536,12.325927113570511,12.988913656795097,13.61779488231766,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_26,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160345766377426,0.9591114135715002,2.5236005687702323,5.0687450055957015,7.681903733866972,9.44867364120342,10.381363060106828,10.817625017060651,10.981274146499503,4.13548522519549,0.7406216114115378,0.0213170567923924,19.604336694818773,9.028032717167775,11.055591677797503,2.163525564591233,2.5239894184793448,5.503932671559329,0.4556785485104597,6.169417806563022,0.2798298631829133,21.73351806260592,-2.0327960666252527,-4.523510741258563,-0.4556785485104597,-5.67822445470893,-0.0391451207744082,-21.73351806260592,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,8.831997393778103,9.636789928042228,10.412835203122196,11.158448402689096,11.871737224675872,12.551092604159976,13.19544637676619,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_27,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2205508629333108,0.9407390413544242,2.438609408741658,4.878357959168193,7.343374409511759,8.996124564233668,9.866040026056211,10.272509710302542,10.424924251710092,3.988627246216849,0.7325218261992024,0.0230022518995154,18.41867065545848,8.482747937356981,10.254122570281098,2.1208050371579312,2.562685514957825,5.584796009562888,0.4592237882856869,6.236475821243321,0.2913459469293918,21.997903340502862,-2.0295523678990435,-4.52066224803356,-0.4592237882856869,-5.7033426741845386,-0.0301107048705886,-21.997903340502862,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,8.857720614899659,9.684382809707476,10.48280904271305,11.24986501054182,11.9826841545351,12.679090542838722,13.337766780478049,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_28,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2399199728387432,0.9505661352277937,1.9506480201062093,3.379066761075637,4.95904755564488,6.094688373042908,6.712717829165088,7.005757815066676,7.116301544265845,2.846612871424347,0.7660986839404045,0.0208977654378781,6.93852237652604,4.108522519024581,3.846960683101874,1.2087909771560994,3.284299170541265,6.991417146708889,0.4280997235137552,6.709096958651307,0.658826149302572,24.98349032298143,-0.9966980645962868,-2.4291398810675218,-0.4280997235137552,-4.421495852706329,0.3591563428429436,-24.98349032298143,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,8.932245022774275,9.579339864539524,10.209899123996513,10.825584623980356,11.426510136788544,12.011732601271383,12.579773675229664,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_29,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2105751460850078,0.9441050004881943,2.5129007553005134,5.097119421032842,7.719152855613222,9.47565573122455,10.398889367844074,10.82991285450178,10.991472614159006,4.15220018672261,0.729097448492516,0.0194717062741975,19.833083072456727,9.289260100604311,10.900949981070765,2.189212170960043,2.3638027322296566,5.155376936394807,0.4274968544569726,5.783777567885438,0.2605199444328891,20.36895075028773,-1.9111658123400697,-4.251913644295192,-0.4274968544569726,-5.33114064799585,-0.0387278536869914,-20.36895075028773,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,9.172270854362685,9.964933240972664,10.722552375335956,11.44634357880067,12.136619668327643,12.79331166874018,13.416342272219454,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_30,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169779702649787,0.9259809116181557,2.3572115982552626,4.730974873727816,7.183061187333036,8.837533693929037,9.70937599419869,10.116808897314572,10.269584646730465,3.856275705792133,0.7223087929013907,0.0226970513627452,17.51847463082876,7.980851405391927,9.920259492863234,2.04945469515214,2.958264042855768,6.445156496593072,0.5204147660212748,6.737029270312418,0.2894947185241058,24.04595683256369,-2.0196760287019533,-4.509059483753413,-0.4751732482902694,-6.296097951199664,-0.0734383721588559,-22.960160407019565,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0332,9.704777574021191,10.45447470424256,11.186181569197046,11.895175304507472,12.577258591910809,13.229169412455528,13.848702175672342,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_31,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.222666125372856,0.972257303161864,2.5407058187866167,5.094691639632372,7.711446025997665,9.476845102890822,10.407704287877417,10.842868874310764,11.006068332270582,4.158532780395617,0.7529303641275809,0.0224439527078242,19.824158866772937,9.120459892909604,11.19213121736603,2.1891770562082207,2.519802349505855,5.494017867893907,0.4541557924441908,6.153048689059381,0.2809759871250683,21.682127596413093,-2.0217555749360523,-4.499916505852582,-0.4541557924441908,-5.65500191448958,-0.0369330675858649,-21.682127596413093,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,9.075716379043184,9.858375908051432,10.61175498268434,11.335070568982472,12.027151632359642,12.686895783023822,13.313537350995908,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_32,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2409453274908545,0.9838359428244025,2.4829022352898944,4.900247158490436,7.337674460253619,8.971852453342212,9.83217235729697,10.234214108157042,10.384978114043523,4.019813193663235,0.7720028213741518,0.0266680285384741,18.4591207530862,8.613002120870185,10.272577392614808,2.1936509513782534,2.575383923798226,5.6125080988761775,0.4615372002961767,6.26768152616764,0.2927100020391595,22.107663624914665,-2.039988079163541,-4.5438579929853455,-0.4615372002961767,-5.732285681532955,-0.0303660381681638,-22.107663624914665,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,9.043895229141349,9.815222037161272,10.556663676059944,11.267994541694508,11.94854794141486,12.59759667412961,13.214606358617983,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_33,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2315853416439401,0.9356020683297545,1.944176345433997,3.3707460677774725,4.9317083377648645,6.049716461928579,6.65750983282702,6.945594820374286,7.054255659571533,2.841611801681033,0.7512284554933725,0.0197356839183358,6.8873201596899545,4.082133525724055,3.8094938335987294,1.2063500182922589,3.2852159803255883,6.99356066632083,0.428405326775196,6.712458594527155,0.6586611235413941,24.99418643713186,-0.9988372874263718,-2.43372132013728,-0.428405326775196,-4.42607990162794,0.3587773947987571,-24.99418643713186,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,8.36251578612543,9.044392044377426,9.712491821741134,10.3657900974273,11.002505843161495,11.620482623639791,12.217572128331792,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_34,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2227037545229235,0.9533895986253036,2.503703343179128,5.090125840153862,7.727564399542688,9.496040350866432,10.42565781972768,10.859653995534996,11.022325155250382,4.141751926657356,0.741260757849496,0.0229821268613656,19.864719765653096,9.257244453033667,10.975371065374375,2.18490052882123,2.400758981609758,5.235091509897802,0.4333143480432608,5.867273765955844,0.2664117700979335,20.670081868914004,-1.9323844988228505,-4.300216042255134,-0.4333143480432608,-5.398899283168937,-0.0369082735323487,-20.670081868914004,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,9.031489356039312,9.818604434914876,10.57597671946321,11.302696134654214,11.997481441161096,12.6591487581,13.286889266681875,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_35,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2367576753735422,0.9500658458120294,2.374016371066439,4.736435432081362,7.184194771153434,8.8395055631827,9.712831951297586,10.121184462343066,10.274340691723404,3.8651238676245168,0.7466515111302906,0.0291873912088474,17.49525040319845,8.022061479870931,9.94111006511289,2.0989235638279133,2.943407918369977,6.413714485098848,0.5195014462548706,6.754956942192563,0.2911372097917872,24.07368087829816,-2.048981516992624,-4.572298071667195,-0.4789764408176495,-6.306305600624641,-0.0712980524235051,-23.101080747804858,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0332,9.394314996071358,10.17636816808617,10.938591252785312,11.67480920165738,12.380237724328357,13.05148974107589,13.686478100939306,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_36,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.220496296364457,0.962960018664724,2.5206333457138954,5.0673377304025,7.687560650195629,9.459697575625905,10.395194506526597,10.83274846476662,10.996877925001964,4.132426097914962,0.7455446336716992,0.0224197828470445,19.61665986073369,9.027292744409968,11.06475144801111,2.152885341658318,2.532438239422637,5.5215486339162405,0.4564139270490202,6.183749655814798,0.2824254905141496,21.790469738093584,-2.0317010310675645,-4.522077166039516,-0.4564139270490202,-5.683012447459727,-0.0370642584201641,-21.790469738093584,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,8.828695149807931,9.638725746331495,10.418513669312713,11.166702334762888,11.881700850927398,12.562140895980331,13.20713220557807,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_37,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2284378688665296,0.9576632140866153,2.452188141970792,4.889735913140407,7.357975749223803,9.01391983198084,9.88564153412272,10.292969964474173,10.445708109279469,3.999859610133612,0.748463076713924,0.0240243400840974,18.444439232227904,8.527666217274955,10.265110280587448,2.1389083667766164,2.5501598665744605,5.555987845548661,0.4555015368864998,6.19417216166646,0.2930251071598359,21.860830070602304,-2.004855502290538,-4.467560334437951,-0.4555015368864998,-5.648867797382537,-0.0258259686607136,-21.860830070602304,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,8.797941762298228,9.594853808952443,10.36185289159253,11.098153912930051,11.80253567450098,12.473812905936713,13.111133074086862,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_38,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2354766302379901,0.9409687807158238,1.9483717429174945,3.3989072541895,4.997835887634017,6.14292786891378,6.764921671731748,7.059588185129364,7.170705861109595,2.8583941774858808,0.7569823589977678,0.0204517423473969,7.101850046654828,4.135316860482041,3.95281164119388,1.21322715809215,3.2711706988941964,6.96072251742861,0.4237235662980656,6.660959229278721,0.6611892741990445,24.83032482043229,-0.9660649640864596,-2.3635348952148,-0.4237235662980656,-4.355853494470984,0.3645827777903989,-24.83032482043229,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,8.206685480181344,8.87950512373431,9.53929040697871,10.184675643401803,10.813799935808378,11.424564430392472,12.014927315696866,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_39,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2158884987621218,0.9420957523629678,2.495723675024213,5.076730426711471,7.703826637255908,9.465101795568057,10.39102322537853,10.8233247350612,10.985366221380788,4.131374555125333,0.7299584194294375,0.0217398052623685,19.78639067332904,9.19592854213539,10.929803390186956,2.1677947091230827,2.402176276859748,5.238197668326976,0.4335854156546201,5.870859602096709,0.2665370027865741,20.682589697391144,-1.933677879686453,-4.30307486756908,-0.4335854156546201,-5.402361204923414,-0.0369727881716596,-20.682589697391144,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,9.159495713116453,9.993961275957483,10.791891981597749,11.552606047877685,12.275337159822636,12.959545995881276,13.605109857465104,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_40,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175288335084181,0.9295388653418688,2.3489523085265924,4.7070488538900745,7.150262810748425,8.800801806156578,9.67096981450664,10.077692201158852,10.230211958462805,3.837008471373678,0.7261884613471415,0.0219441125853883,17.38195363279615,7.892922570130594,9.8581698813001,2.027936415765345,2.9945433214825257,6.5206272866015285,0.5224547074418283,6.744103798065415,0.2950343281711474,24.13157920739398,-1.9770171747288536,-4.419550106457414,-0.4718573918004475,-6.283148123366932,-0.0691660475688905,-22.917243632000847,22.0,46.6827,2.0,1.0,0.4900000000000002,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0332,9.716752128508222,10.447966000206495,11.159321684595428,11.847786393289493,12.51036464584571,13.144554233112796,13.748556738231496,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_41,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2234507736892033,0.9822651714010984,2.559786922805978,5.096123138598322,7.687773216449467,9.43769481192594,10.36114512211115,10.793032543158066,10.955033650147715,4.168402118464009,0.7600550131902535,0.021960943396567,19.66335250135468,9.159947475330718,11.055855225168104,2.2227570319914003,2.483375213244755,5.415081749626895,0.4480668230966836,6.067909798018223,0.2759135259868942,21.378212528157444,-1.997293017722081,-4.444861687363638,-0.4480668230966836,-5.58182760249555,-0.037733250180784,-21.378212528157444,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,9.135349671436956,9.89129993706325,10.617945929356502,11.315614815019275,11.98392013588994,12.622256802435112,13.230117991103592,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_42,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2291062271531223,0.9626179113621196,2.46353220733842,4.889080630839159,7.33682589370917,8.978527155913907,9.842911187828348,10.246867613444705,10.398351559432742,4.0053569266623805,0.7517894074753723,0.024190707655196,18.488757412240613,8.535399037031105,10.313595044946858,2.159638806835205,2.573178374321869,5.607685582249406,0.461131854855432,6.2622332131653256,0.2923259054307832,22.088528968717984,-2.0381401742324514,-4.5397606724089,-0.461131854855432,-5.727195013075908,-0.0304663929680188,-22.088528968717984,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,8.988503526085976,9.775701467707956,10.535298836724422,11.265842039660503,11.965613499402824,12.633084571311905,13.267176275139828,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_43,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.235978514809494,0.9458672859980444,1.961572631705495,3.402114067293362,4.982309214805126,6.115015089214008,6.730925560885978,7.0228740486386165,7.13299395348087,2.8672044140791675,0.7602329070213669,0.0203638267484907,7.00861299787793,4.189082861345652,3.830308799281483,1.2101760315069594,3.274424919653132,6.968330950647417,0.424808306551044,6.6728913720614855,0.660603514462436,24.86829072928654,-0.973658145857308,-2.3797967353277145,-0.424808306551044,-4.3721245982656605,0.3632376998767056,-24.86829072928654,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0332,8.7193649280151,9.382517452051223,10.031090501009482,10.665227763521646,11.28397923983032,11.88571814528999,12.468579326260995,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_44,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0907263841720489,0.6591868370171671,2.264147456098048,4.971590824768553,7.679340863594972,9.4728254130246,10.409842999656563,10.8460815756556,11.009404294160513,3.985666486785543,0.4659389925268675,0.0039950715195789,20.06053626343609,8.221229816671478,11.255427130693356,1.595639231172197,6.606360791674251,14.073175746175613,0.7264961282644161,6.066318561440599,0.7241842854705279,26.00473991423021,1.7912959458502156,3.78831683269134,0.0675052787792064,-6.005676597874169,-0.699927500043956,-0.6581038830103232,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0332,10.214701587968102,11.037731235251806,11.825866848200436,12.577836292087865,13.29207762032838,13.967336066082508,14.602961372343223,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_45,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.090891761282329,0.6359966967255487,2.150589996123744,4.728467782452022,7.323983707418162,9.052787404080588,9.95901803562965,10.38160680856377,10.53992896951093,3.787640161508148,0.4533816034657858,0.0040388363501523,18.707076501081737,7.267643987171831,10.7869614470365,1.5167046477309416,6.358170625779358,13.536593798823322,0.6916772725735846,5.780429426727183,0.7096166986702569,24.95751725044072,1.7990578758385751,3.803046226236985,0.0722176498815218,-5.644097610887866,-0.6550839723345301,-0.5025267364383724,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0332,9.893277322714578,10.754107084569045,11.581307175846268,12.371300391845184,13.12103217712895,13.828440668195933,14.492567169076665,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_46,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.089470869466569,0.6459023690004987,2.242826475435209,4.9696041269792985,7.700691937193815,9.508366419351317,10.452272625122038,10.891594628604585,11.056051760035606,3.975299376749304,0.4564492009873003,0.003947940032483,20.192215985681635,8.180444618038482,11.323003004925312,1.5340457915008134,6.5937920476076455,14.048776726797277,0.7283047312862517,6.119382992575493,0.7221009292891637,26.075102013925875,1.7379799159058855,3.672345590590821,0.059301131879019,-6.057472592297304,-0.6973367691778881,-0.9945939637543836,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0332,10.390094940935333,11.245481762928833,12.05985126247048,12.832579914259078,13.562784778410617,14.249899146580562,14.893937482671417,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_47,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0925195343793046,0.643305347930685,2.174190923768153,4.772430755576647,7.383714325176124,9.12078408873406,10.030664521425663,10.454799618320417,10.613676052896611,3.8248275139204977,0.4586383108908859,0.0041948932710418,19.036864739369737,7.400374851552685,10.983904043771265,1.5564118946260586,6.312314858812472,13.440120514843963,0.688642359572746,5.792614546766449,0.7069442575650491,24.88310971537684,1.7221142187719212,3.640205264039926,0.0649625390057528,-5.671036904256294,-0.6583132005609869,-0.6719713198536639,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0332,10.083925943816071,10.908378534941509,11.70365837113738,12.46633782549404,13.193212820615424,13.88187556464053,14.530916486873862,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_48,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0909721569148846,0.6571825136589375,2.260579277286779,4.981023305772713,7.706109728255421,9.511017622643518,10.453808860334222,10.892679297381475,11.05697765115519,3.9893489963824615,0.4648816113202563,0.0040383876558841,20.176709822191643,8.244537146971705,11.324467305150696,1.5778689183665255,6.630469453802813,14.12313599085917,0.7265496793794705,6.011814925587951,0.7234530680059355,25.94797714549486,1.874943655890471,3.967112436303619,0.0773318160268576,-5.947157517661114,-0.6975901048352,-0.3440244282438445,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0332,10.06451541893454,10.899314712965957,11.698366044042858,12.460348372874178,13.183658417006995,13.86704472579232,14.509901862763982,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_49,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0978122331924448,0.6504021413958199,2.164746296429931,4.743362750206199,7.342058060835431,9.07357580991084,9.981334359011056,10.404653739519045,10.563252196120684,3.8018677558482095,0.4670200710735911,0.0047295608630898,18.765494071547245,7.321824637820217,10.818761612053862,1.5425028304712258,6.274505226566132,13.355809083001908,0.6798980812910054,5.679391308858714,0.7052844748031564,24.594335167660923,1.7815302541502025,3.768540815247825,0.0743892397134273,-5.5433726986889225,-0.6508770307352401,-0.3061115462911491,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0332,9.972073459282216,10.794128786674287,11.581241965279618,12.332628597125364,13.047024604354938,13.723333915583233,14.360956701535164,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_50,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0892010336350573,0.6447353991588793,2.2359139985622547,4.949899533812942,7.669781912688769,9.471305679605996,10.412372591562256,10.850454561876557,11.01446035219609,3.960204175377271,0.4556836928710953,0.0038936771385348,20.03444963501584,8.117841829304467,11.256540278193455,1.548552045593541,6.591071209874395,14.038944002619196,0.7221030154687509,5.981856029777824,0.7208678271731269,25.80779777040468,1.8462640671960164,3.907655980431777,0.0761518975120712,-5.926197339006046,-0.6986043508644154,-0.3085404017213984,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0332,10.313229105453209,11.155371461615797,11.960756241217595,12.728104691813009,13.45581067853476,14.14262345290973,14.787965021031049,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_51,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0911891305140109,0.6362142427149602,2.160210078247128,4.755252862095006,7.363603087493751,9.098631748245475,10.007463905048551,10.431120783395356,10.589820146851263,3.808643453186328,0.4532891974462469,0.0040891066257517,18.952333224410285,7.319131539652862,10.951525954181328,1.5261067307918783,6.287470194299656,13.386313558427412,0.6851788898867582,5.768316488104759,0.7054846043554636,24.78782401346569,1.730730148211809,3.6566580705839735,0.064894213274362,-5.625883728785058,-0.6485115006275829,-0.7357268476286591,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0332,10.171980808593156,11.007287069506454,11.812338642444695,12.583267413621066,13.316680376888284,14.010170319778036,14.66244986640329,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_52,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0658840156146892,0.4018962836797435,1.3982221624260225,3.1636097676612103,4.998907369605799,6.249823779613388,6.913718372778108,7.225104440802474,7.342050941682871,2.51228183836169,0.2879632878374573,0.00428060481885,8.337361550498523,2.766756136099703,5.228703587228073,0.6467378475122344,6.955552507998613,14.807339822157244,0.7897306518868691,8.386339848905553,1.023538162774577,27.935881516129847,-0.4394753424145968,-0.8974698967850433,-0.1381229353284673,-8.386339848905553,-1.023538162774577,-4.538994036406925,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0332,15.37099374134883,15.988728126571068,16.553682091364845,17.072762939164182,17.55080737067375,17.991473735629338,18.39775737590716,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_53,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0733533240272103,0.4127535063026655,1.4387513499346078,3.37983666612322,5.418950960067996,6.7975593967422805,7.5245172428411395,7.864355789512028,7.991804834745936,2.656335819190313,0.2996917260337772,0.0053205538076124,9.784847867110551,3.2196154727207484,5.963474270323801,0.6004168489418602,7.99475146583312,17.02412808039531,0.8760171657524879,7.888031901615299,1.054756158452277,30.012957682832777,1.4917243878171795,3.226651924391975,0.0726304196125419,-7.888031901615299,-1.054756158452277,1.8944215679346688,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0332,16.231921722172032,16.765812560500066,17.243030595986678,17.675620746342133,18.07170491831124,18.43684935327828,18.774968423126,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_54,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0601883946281677,0.3898721929503108,1.3903217362099494,3.1677698917651207,5.016100861300004,6.276497914024449,6.945608933873829,7.259480617318919,7.377366601845877,2.5119923302313105,0.276700095212868,0.0035566556636724,8.413081814417882,2.7808282576841217,5.268888380390141,0.6329943923162734,6.792405577017178,14.458181575090697,0.773245955887368,8.364770784768318,1.0148530525719297,27.50298446999896,-0.6409356578867722,-1.326638738723022,-0.1580989639743273,-8.364770784768318,-1.0148530525719297,-5.094087725160373,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0332,14.803972657220744,15.451754765779478,16.046560881129643,16.5931026108309,17.095036330818026,17.55554933297471,17.977626434474715,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_55,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0717117068423377,0.4132750569313209,1.4284798384598385,3.317648578471859,5.304840137262998,6.653000903865063,7.36529868785736,7.69858569392879,7.823624968831763,2.614158555399884,0.2992112989553109,0.0050515035874155,9.41641072051417,3.088453802765322,5.782597157324704,0.6035966230732958,7.80524893895661,16.619347104879843,0.8568887628494338,7.832063796836821,1.0406277313032324,29.46663135190169,1.2991447209304,2.815802040880957,0.0535506031392673,-7.832063796836821,-1.0406277313032324,1.3497957620458676,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0332,15.355895973776905,15.931530971289773,16.44387577656398,16.905681369701707,17.325868311598796,17.710768297739573,18.064982585040227,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_56,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0592470133522388,0.3883491836748924,1.3941257248340944,3.181341625686584,5.031863065700879,6.289681177269936,6.956407699495689,7.268958124348786,7.386317259061235,2.522724961582385,0.275002210910851,0.0034478551831777,8.498356414031988,2.804089568930817,5.325459132187009,0.6468253795446666,6.923355839315756,14.737877363687124,0.7842176181136903,8.2922493858889,1.0171609630826086,27.74999283890785,-0.3835593082005882,-0.7773737087155731,-0.1302379650021733,-8.2922493858889,-1.0171609630826086,-4.255952570147368,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0332,14.36842463897312,15.001624240864285,15.58603655334065,16.125141135327645,16.621667217769744,17.07813702021352,17.497074756236938,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_57,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0746675530635923,0.4181419482843503,1.4550808096416694,3.40928316912478,5.458360548282572,6.84291177137306,7.572874728009691,7.914097489066084,8.04206285362625,2.681565843105976,0.3036972187946988,0.0055024853319939,9.877202194808143,3.2973195788821665,6.016803053556867,0.6256967246630257,8.004960597507184,17.0440798430039,0.8766657873111577,7.946508553311396,1.0630684946282265,30.12431330777685,1.42407719273955,3.0840871278358013,0.0662379917135157,-7.946508553311396,-1.0630684946282265,1.759340461859379,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0332,15.692595581472268,16.22098554496356,16.69351927055546,17.121792749594434,17.513778863474954,17.875034825470106,18.20951655126892,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_58,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0623533578040307,0.3966531845844769,1.4018283647156282,3.1896550959114385,5.051703590182433,6.321850604526484,6.996159428279219,7.312469001215912,7.431270341677013,2.5295138042516707,0.282389245284965,0.0038085715093834,8.504934489846143,2.8227446328341324,5.293343992954613,0.6342761003492973,6.858539992849021,14.600653807685864,0.7823082276205529,8.453716548471505,1.0212931430017582,27.76409499276639,-0.6408209723931021,-1.3276890147186142,-0.160536325574961,-8.453716548471505,-1.0212931430017582,-5.235464369076598,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0332,15.345803909003468,15.979506472551984,16.562299027301005,17.099223612645893,17.593978086404192,18.04960330037516,18.468832347220825,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM0332_59,RSM0332.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0731702623543752,0.4080851526397623,1.4117246694502743,3.310633269939395,5.315881626317822,6.677333472569837,7.396814913826947,7.733491842649349,7.859807136475469,2.6018654795538607,0.2969760656701969,0.005310621059428,9.530645020205863,3.059847472138518,5.843958020850562,0.5754043598954841,7.793103316143396,16.59482740153773,0.8563272880429001,7.804256152690135,1.03504834542466,29.390264925801933,1.326183974251887,2.872115177269077,0.0556014409966283,-7.804256152690135,-1.03504834542466,1.3648602791824174,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0332,15.735211914803756,16.267156627036453,16.742341609152778,17.17273927456515,17.566472563546352,17.9291414503994,18.26470484082729,[Ni].[O-]C=O.n1ccncc1dmp.cat0,"linker [O-]C=O, n1ccncc1, nodes [Ni], topology dmp"
RSM1064_0,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.0012543930469394,0.1340410948985229,1.1308501170386789,2.974657466907295,4.610681277101991,5.607917352572104,6.109171745060596,6.338691415492119,6.424044688062801,2.327024822529788,0.0645313194787246,3.7580697356325e-07,6.706413846122405,2.5263088485625502,3.922254955082352,0.3917441185697803,41.01974631904471,98.8579810713868,3.0000000000000004,2.980253680955301,1.651212888025109,75.9012684047765,-41.01974631904471,-98.8579810713868,-3.0000000000000004,2.980253680955301,1.651212888025109,-75.9012684047765,-41.0,-98.8186,-3.0,3.0,1.66,-66.0,-43.0,-102.8073,-3.0,1.0,0.7699999999999998,-76.0,RSM1064,19.83545185282388,20.096303589886386,20.30232967968221,20.467633386571027,20.60213282444314,20.71294366987973,20.80526476505924,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_1,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.0012547548120239,0.1340545739844919,1.1308874477123747,2.9746966077294843,4.610716159731516,5.607950695526214,6.109204900671711,6.338724635221369,6.424077956661084,2.327065124975568,0.0645395922792046,3.760490569733222e-07,6.706526753443711,2.5263954837958336,3.9223686363762273,0.3917751918438129,41.01975405693411,98.85799650344656,3.0,2.980245943065884,1.6512094446643184,75.9012297153294,-41.01975405693411,-98.85799650344656,-3.0,2.980245943065884,1.6512094446643184,-75.9012297153294,-41.0,-98.8186,-3.0,3.0,1.66,-66.0,-43.0,-102.8073,-3.0,1.0,0.7699999999999998,-76.0,RSM1064,19.84365091940764,20.104506016126265,20.31053455873429,20.475840186801644,20.610341198621672,20.721153369805,20.813475601121954,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_2,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426632873498748,0.5331639839822435,1.5031937616631108,3.065348122533269,4.586373716524388,5.594181824267196,6.123169557056376,6.370181089948227,6.46278826607905,2.505126738441399,0.4132088962355861,0.0202685542305199,9.32929314246744,2.6761550524107123,6.007513849304984,0.4136766188066894,3.131738510403068,6.774794571930922,0.5131006233776259,7.236543497424074,0.4315599682963161,20.25835108441848,3.131738510403068,6.774794571930922,0.5131006233776259,7.236543497424074,0.4315599682963161,20.25835108441848,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.508223413811425,4.1644473172254575,4.840538718094048,5.520133449851927,6.190447087511906,6.84228303442427,7.469614284376375,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_3,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1428851072013362,0.5296463962921311,1.4283627705081197,2.781758001217355,4.0785311088959935,4.941033962542298,5.395656318932429,5.608420662012604,5.688267044455537,2.302118988730203,0.4121641168989238,0.0203314320377497,8.071161286124205,2.095690812204985,5.387947844306259,0.3393356039296276,2.8638283580506214,6.217511235988748,0.4908149776534586,6.790348179278291,0.3541255362322913,20.037906645488995,2.8638283580506214,6.217511235988748,0.4908149776534586,6.790348179278291,0.3541255362322913,20.037906645488995,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.635559241011555,4.271859291918227,4.926454607526724,5.584661132318263,6.234832251109099,6.868432297709662,7.479732631509736,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_4,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413737593907117,0.5048399501967843,1.3665681884736498,2.7489379117002826,4.1259446226652345,5.057100432816043,5.551252856646771,5.783175475257856,5.8703114370758405,2.2504325169960184,0.3958223984557812,0.0202187298745864,8.101555114842792,1.9870278486162207,5.376091408211124,0.2303154151134818,3.305310725720948,7.172447108796911,0.5630407687174127,7.80963687546025,0.4151618316006723,22.88630018161416,3.305310725720948,7.172447108796911,0.5630407687174127,7.80963687546025,0.4151618316006723,22.88630018161416,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.545673247045004,4.184975526265216,4.843983885364023,5.507568946263061,6.163669625432332,6.803417489434259,7.420842649803052,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_5,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405584401272758,0.5421380267987798,1.7532596592642138,4.005541162493828,6.308695592005943,7.843194265739698,8.646720897638913,9.021171789221697,9.161417115470712,3.1748916997820427,0.4127846556523549,0.019882308738193,14.287820141222344,4.847483549074299,8.69439999689227,0.9020407712116376,3.0563915452331174,6.650778019850519,0.5385627119182662,7.364893240579247,0.3502891527819878,22.41743210811305,3.0563915452331174,6.650778019850519,0.5385627119182662,7.364893240579247,0.3502891527819878,22.41743210811305,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,2.9083506105427137,3.518630093869361,4.160795057543402,4.818199770729608,5.476953465145233,6.126369229974956,6.758835087436397,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_6,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1440027962065991,0.5431507550951712,1.5180323840234815,3.171242955114568,4.889242879405083,6.063730710120694,6.687721885145119,6.980476885767445,7.090434946626384,2.5629194048785564,0.420955548268246,0.0204454729084133,10.396238724379428,2.8979827050209512,6.748576343356774,0.4509524500938249,2.521400706812048,5.457922322996416,0.416452627390432,5.853021725935504,0.341174638174301,16.544680383270002,2.521400706812048,5.457922322996416,0.416452627390432,5.853021725935504,0.341174638174301,16.544680383270002,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.5525857965660763,4.192944188846234,4.851268238545475,5.512917912255072,6.166287961495521,6.8028766415260575,7.416979942941371,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_7,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434445196788672,0.5398792135285685,1.5164997347041946,3.1202927778250555,4.727011554192099,5.805991418933535,6.375072827362269,6.641273629246228,6.741140305503451,2.538713704912003,0.4182105357428785,0.0203466686300965,9.749579968258836,2.76036777300034,6.320743715136015,0.4356058973523097,3.828130293711257,8.263765703547028,0.6102113968671328,8.709821468648318,0.5593716115756353,23.57414631214301,3.828130293711257,8.263765703547028,0.6102113968671328,8.709821468648318,0.5593716115756353,23.57414631214301,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.554122026781248,4.208501596730037,4.882118819896435,5.558872314586328,6.22618523878695,6.8750107146763,7.499421570146103,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_8,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438893151117917,0.5415784545161973,1.5282403115249688,3.2243132752501973,4.987546826270533,6.19072544811997,6.829267244358586,7.128700546804478,7.241143919205159,2.5994189669541945,0.4196493588440765,0.0204596173100973,10.660710946180034,3.003730016833986,6.896064807522268,0.462450558058917,2.4494085810437785,5.311232464713698,0.4134338765958034,5.756879593810205,0.3147982999473499,16.693328456487343,2.4494085810437785,5.311232464713698,0.4134338765958034,5.756879593810205,0.3147982999473499,16.693328456487343,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.516469873303771,4.15739584150105,4.8165852930272335,5.479326687801446,6.133948412525113,6.7718936630937705,7.387415781914421,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_9,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141137818060438,0.5360610109468498,1.7490723929358158,4.071498622767429,6.454456785949078,8.037436002301073,8.86451179759148,9.24950561261841,9.393629932616008,3.2118653759332645,0.4096902369319917,0.0200729662976729,14.837433478691873,4.972336584901311,9.004245880618713,0.8445703365585052,3.117988622849584,6.788516290453717,0.5530069354066872,7.542044106103082,0.3506169332805263,23.12054236422017,3.117988622849584,6.788516290453717,0.5530069354066872,7.542044106103082,0.3506169332805263,23.12054236422017,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.009874304459825,3.632991605984076,4.285377591900824,4.9503292175515154,5.614106054122449,6.2662849803378124,6.899564974580327,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_10,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412393733600829,0.5053164171986362,1.3895229815830556,2.8804408142928817,4.39352033135785,5.413562836264336,5.952294674673786,6.204440172786326,6.299055476044654,2.336211118344573,0.3959081953919603,0.020178283385687,8.598122262100834,2.1652398478178108,5.657961320304108,0.2521317993913005,3.454153537999033,7.511250195867807,0.6037371968840615,8.284051113071525,0.4050910802519538,24.990836091889143,3.454153537999033,7.511250195867807,0.6037371968840615,8.284051113071525,0.4050910802519538,24.990836091889143,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.5215262099538656,4.161538189559791,4.821598460968876,5.486459732525227,6.143954552186099,6.785131789347643,7.403963558769641,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_11,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432155155220002,0.5322669865843265,1.4396443814684867,2.8163399707225456,4.13266012750972,5.003080358622672,5.460182073797816,5.6737248100481406,5.75380251187016,2.3279681212950787,0.4139771309618111,0.0203889375059862,8.312140636835139,2.1996202924394628,5.495903487755015,0.3530676320591583,3.047540194722124,6.615159229822311,0.5211369845862228,7.216636071411906,0.3790235405521772,21.241887947424978,3.047540194722124,6.615159229822311,0.5211369845862228,7.216636071411906,0.3790235405521772,21.241887947424978,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.680663152463048,4.315247810461719,4.967516815111813,5.6230406984120185,6.270375610784607,6.9011330771503685,7.509682757665708,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_12,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412744744990694,0.5031255747530854,1.4790308604984848,3.2455090933773776,5.034331184538918,6.223860013008645,6.846804380551436,7.13717758366695,7.245948757595208,2.5973101862485226,0.3929793484430446,0.0202657909928099,10.98241741697768,3.147855599396989,6.9112439964959655,0.3958138874903946,4.330064090065315,9.396885652702911,0.7383268199931613,10.236678650010608,0.5425157325918877,30.03255694919472,4.330064090065315,9.396885652702911,0.7383268199931613,10.236678650010608,0.5425157325918877,30.03255694919472,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.3142272076103407,3.982410416706884,4.675558532875206,5.375102113514686,6.066387804045321,6.7388346957794,7.385500432937643,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_13,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1428120645000462,0.534105001631541,1.4975849004699135,3.021631408850696,4.476219400306628,5.427511841841255,5.923621874178766,6.154612207319758,6.241109408567844,2.4789177900330603,0.4140389723372466,0.0202805746061422,9.11757010537549,2.5963730874992583,5.902012424414718,0.4121012594521598,3.194478835969524,6.901373491241853,0.5145096795627884,7.31055627247183,0.4568374328262101,20.04328338954756,3.194478835969524,6.901373491241853,0.5145096795627884,7.31055627247183,0.4568374328262101,20.04328338954756,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.541647443006842,4.197327285894527,4.872493527459226,5.5508914765570765,6.219836844570008,6.870215141763927,7.49606190413053,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_14,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410871636712537,0.5011207958527916,1.4627639151360567,3.1859896245238533,4.91153084939264,6.049962402238705,6.643722919795325,6.919977716105215,7.023379945719099,2.556043130531289,0.3918684566920105,0.0202173904031289,10.583713432872887,3.030481324062841,6.686754012851904,0.372957768490886,3.944695881839826,8.557715194687262,0.6698392476697661,9.303409863197956,0.4994410780379107,27.165267927684507,3.944695881839826,8.557715194687262,0.6698392476697661,9.303409863197956,0.4994410780379107,27.165267927684507,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.3150695809963264,3.9840620399841047,4.678105522333535,5.378560400146424,6.07071551722771,6.743950872250539,7.3913026414054706,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_15,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438723133534045,0.5451448681721626,1.546415178833474,3.2241226207664986,4.929162652028031,6.081163878242847,6.690230107115242,6.975416017861566,7.08244708257426,2.611895886435893,0.4214905108915627,0.0204131343797085,10.31602937033158,2.994731677853232,6.634207045950336,0.4782816137699402,3.873096029750421,8.378426369713422,0.6344432185727303,8.948641778332263,0.5339466984150677,25.045545151339024,3.873096029750421,8.378426369713422,0.6344432185727303,8.948641778332263,0.5339466984150677,25.045545151339024,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.5415364328217627,4.195667317436522,4.869072806467048,5.545672204202822,6.212891542627609,6.86167131463749,7.486061914744954,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_16,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434713473880657,0.539909117840935,1.5164951044669457,3.120259101288918,4.726979459224673,5.805970921241892,6.375060845450947,6.641266103641987,6.7411345231740345,2.53868614478961,0.4182432950456721,0.0203544042696751,9.749236789305144,2.760332032869829,6.320484070297395,0.4356152574618628,3.8282309939731767,8.263984662428582,0.610228978960609,8.71006282565805,0.5593834567669214,23.574873557376748,3.8282309939731767,8.263984662428582,0.610228978960609,8.71006282565805,0.5593834567669214,23.574873557376748,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.5538597063672954,4.208221204474603,4.88182563082806,5.558571226395006,6.225880621986579,6.874706387586853,7.499120832519547,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_17,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438891392419745,0.5415722007963366,1.528229949993622,3.224350106374011,4.98764923975396,6.19087016723876,6.829432735747931,7.128875333663123,7.241322121505844,2.599434346743679,0.4196455505552488,0.0204596171215203,10.661035186812706,3.003810339799516,6.896278599112701,0.4624504457552936,2.449584329100265,5.311610464858009,0.4134605465678268,5.75726870164288,0.3148265016349425,16.694316614246553,2.449584329100265,5.311610464858009,0.4134605465678268,5.75726870164288,0.3148265016349425,16.694316614246553,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.517442004731433,4.158442226750905,4.817682873270961,5.480455113199521,6.135090455350121,6.773035147291194,7.3885452884682525,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_18,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411776502311888,0.5361254921806926,1.7491912909570158,4.071686783432349,6.45467312797034,8.037656919924682,8.864732083328578,9.249725033831217,9.393848945877057,3.212033993817532,0.4097493642287719,0.0200842560504038,14.8382318521907,4.9729187243243205,9.004594430023038,0.8447776143254119,3.118164062634524,6.788898661448572,0.5530384410756535,7.542471591239752,0.3506359308555127,23.121870562123124,3.118164062634524,6.788898661448572,0.5530384410756535,7.542471591239752,0.3506359308555127,23.121870562123124,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.010317587317979,3.633479309757479,4.285898470496141,4.950872814944732,5.614663220703476,6.266848041228027,6.900127697976092,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_19,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141175723172842,0.5052315402068873,1.3894523894773172,2.8803389548119607,4.3933642944088325,5.413370775438845,5.952084670143824,6.20422207165308,6.298834388120648,2.336125792002661,0.3958228449554262,0.0201600971847171,8.597524015008611,2.165159788889784,5.657612310742916,0.2521811927003067,3.454130047654086,7.511205319192691,0.6037391088871741,8.284042918751476,0.4050770420426167,24.99108738383175,3.454130047654086,7.511205319192691,0.6037391088871741,8.284042918751476,0.4050770420426167,24.99108738383175,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.521348982105712,4.1613127941294,4.821335939904252,5.486170574388986,6.1436480459932925,6.784815786492375,7.40364447546859,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_20,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432321452728558,0.5323002170110235,1.4396652947142143,2.816317382342058,4.132603007651009,5.003008112068475,5.460104337953265,5.673645061040331,5.753722095760509,2.3279611174535426,0.4140078139849518,0.0203933240475833,8.31177896524134,2.19960301738212,5.495714329606604,0.3531241244204931,3.047502470519132,6.615087043203916,0.5211399415370244,7.216622002815327,0.3790012089990924,21.242283554996053,3.047502470519132,6.615087043203916,0.5211399415370244,7.216622002815327,0.3790012089990924,21.242283554996053,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.6811192007409033,4.3157174854432485,4.967991867271675,5.623514437369812,6.270842810136434,6.901589763754173,7.510125978883064,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_21,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426309392906264,0.533087084056186,1.503045679334343,3.0651254071407057,4.586096930121924,5.593875395625853,6.122849051710138,6.369854312331079,6.462459182998151,2.5049278451132366,0.4131443784382632,0.0202598368319566,9.328412411261407,2.6756760089877365,6.007002711525537,0.413529239709426,3.131838267914643,6.775006653401212,0.5131133585373974,7.236745136213821,0.4315804819643959,20.2587437580446,3.131838267914643,6.775006653401212,0.5131133585373974,7.236745136213821,0.4315804819643959,20.2587437580446,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.508246423688763,4.164475216861951,4.840571568364151,5.520170822536622,6.190488173948032,6.842326762138876,7.469659418180457,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_22,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1428750663311285,0.5296148334532294,1.428310280099833,2.7817040124033805,4.07848303015852,4.940991395154921,5.395617036601846,5.608382998223486,5.688230000849477,2.302064025206193,0.4121385184739984,0.0203289596035443,8.070913550562095,2.095559713739271,5.387789034290428,0.3392969911754134,2.863567934120017,6.216954295052878,0.4907785430215245,6.789796278292215,0.3540779625180489,20.03665834090664,2.863567934120017,6.216954295052878,0.4907785430215245,6.789796278292215,0.3540779625180489,20.03665834090664,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.634576754941599,4.270842656835061,4.925417961752442,5.583616238865147,6.233788736508754,6.867397913180086,7.478713503570937,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_23,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413220603938286,0.5047852652144856,1.3665502972009609,2.748918291066551,4.125893571980102,5.0570217906624455,5.551158515924288,5.78307359235462,5.870206696330476,2.250418844072241,0.3957620659384948,0.0202037928929962,8.101380270071024,1.987058876238108,5.375932987233246,0.230328937303642,3.3052871773439505,7.172399082119955,0.5630397377174299,7.809605079083389,0.4151532856978763,22.88634575350035,3.3052871773439505,7.172399082119955,0.5630397377174299,7.809605079083389,0.4151532856978763,22.88634575350035,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.5443759759329123,4.18360413339647,4.842565131435224,5.506125890822074,6.162221455878947,6.801979742501975,7.41942761119803,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_24,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405441062627019,0.5421240033226002,1.7532646044194715,4.005559475089389,6.30870330561239,7.843184723461464,8.646699718537956,9.021144646524435,9.161387655544154,3.174908188648128,0.4127684869941606,0.0198782023126921,14.28788299399634,4.847627088790974,8.694324898021263,0.9020916416593804,3.0563867790928696,6.65075834256977,0.5385528459335088,7.364809546560939,0.3503055305709977,22.416765319881268,3.0563867790928696,6.65075834256977,0.5385528459335088,7.364809546560939,0.3503055305709977,22.416765319881268,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,2.9083073686459,3.518564085150544,4.160709163220128,4.818097210311318,5.476837432899005,6.126242699256215,6.758700718989323,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_25,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1440452056327552,0.5432139829314316,1.5181161289358962,3.1713945031107817,4.889475368969621,6.064016306972896,6.688034410104204,6.980801713245118,7.090764339539675,2.5630432721058414,0.4210160395006058,0.0204576385854277,10.396966610649873,2.898307205450052,6.748935421311506,0.4510076453050413,2.521133641409429,5.457352483449788,0.4164165291363742,5.852465874500423,0.3411234782964941,16.543488832499047,2.521133641409429,5.457352483449788,0.4164165291363742,5.852465874500423,0.3411234782964941,16.543488832499047,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.553064426800092,4.193441947750015,4.851774703042245,5.513424530085507,6.166788022291761,6.803365092779433,7.417453142622306,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_26,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413656040586851,0.5032605026324019,1.479176408952124,3.245650611277909,5.034462942473621,6.223983248925091,6.846922514623594,7.137293188909841,7.246063390879608,2.597454175073268,0.3931090052819434,0.0202917960740327,10.98290694208937,3.148113049603226,6.911498949989006,0.395857978552992,4.330011194780081,9.396771837572397,0.7383187469207279,10.236561170145904,0.5425073312007711,30.032256310550544,4.330011194780081,9.396771837572397,0.7383187469207279,10.236561170145904,0.5425073312007711,30.032256310550544,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.3144030711808736,3.982602922880647,4.675762937326331,5.375314300884752,6.0666043506334,6.73905284714533,7.385718036100046,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_27,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1427823311855547,0.5340913830120882,1.497618885508739,3.021660361393795,4.476206289279457,5.427462679558117,5.923552377814389,6.154532978820264,6.2410264982761605,2.478955269808203,0.4140160751222364,0.0202715637713994,9.117447299969689,2.5964310419971737,5.901981439942064,0.4121887165389024,3.194722748099408,6.901892066538154,0.514540842344981,7.311049486859256,0.4568875435073968,20.04424522365163,3.194722748099408,6.901892066538154,0.514540842344981,7.311049486859256,0.4568875435073968,20.04424522365163,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.5416177188423585,4.197296085311177,4.872462851043736,5.550862679685447,6.21981078217319,6.870192309449508,7.496042555270099,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_28,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410869406517505,0.5011159497906902,1.462744455125547,3.18594877751577,4.911467110384476,6.049880710123449,6.64363083947075,6.91988056160679,7.023280852855933,2.5560098748849813,0.3918653535019174,0.0202173901165463,10.583132855257558,3.030417469583337,6.686419004761594,0.3729872716629908,3.944530307085464,8.557343920427641,0.6697994224030259,9.302925686309672,0.4994420696473578,27.1633080327845,3.944530307085464,8.557343920427641,0.6697994224030259,9.302925686309672,0.4994420696473578,27.1633080327845,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.315010581525617,3.9840072621531855,4.678056225149881,5.378517215302543,6.070678595891872,6.743920034478016,7.391277501654543,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_29,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.143871905884721,0.5451327278430201,1.546370095351748,3.224052316424252,4.9290790394608095,6.0810739412826535,6.690137383057912,6.975322099454548,7.082352732870416,2.611832487364788,0.4214832243234777,0.0204131333453663,10.315785673980084,2.9946161272694645,6.6340695540003205,0.4782368926306607,3.8732931152316006,8.378851528459068,0.634474354367975,8.9490879501754,0.5339760218381091,25.04673922960024,3.8732931152316006,8.378851528459068,0.634474354367975,8.9490879501754,0.5339760218381091,25.04673922960024,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1064,3.5416191550667286,4.195760764781379,4.86917505656846,5.545781371153633,6.213005848321374,6.861789146272638,7.486181857779883,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_30,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.157067001008351,0.7798685634052129,1.9030912894176948,3.536263557211022,5.13994472385918,6.206727769787529,6.766512952558164,7.02773315434093,7.125630931169605,2.9500947145966028,0.6025501775647639,0.0099506945345015,8.82265972478553,4.476675170425703,4.868551838660474,1.2817632161062986,2.037983547836885,4.267804339959054,0.1788499241380939,3.379146021199272,0.5542564292479162,13.483065976095483,0.2902283608842927,0.4217781678001543,-0.1707011132524244,-1.1677337351726902,0.429822038033913,-13.303792136610754,43.0,102.8073,3.0,2.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM1064,6.820484319273386,7.574611174973503,8.327737174339271,9.073566589490545,9.806764383730297,10.522726590981591,11.217557446343228,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_31,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1022733924984111,0.7328615249051468,2.231873194199228,4.325380033418271,6.193089471058975,7.373428823094121,7.979151667415985,8.259163024260973,8.363706273476293,3.6014003218917674,0.5273526897312252,0.0037568723622617,13.483172368931282,6.360834605317139,7.914122816919705,1.813699795031044,1.0604632344623728,2.3308488521023243,0.2094198896735153,2.735822351850496,0.0792438461979144,9.490713965782172,-1.0337356622727811,-2.2775447185060123,-0.2094198896735153,-2.709094779660904,-0.0673500765735461,-9.490713965782172,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.763643278300912,8.554584441239875,9.329005189343423,10.085035694591134,10.820075536741854,11.531280072407156,12.215991448068978,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_32,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2151652297089537,0.8938263528471434,2.197791867000851,4.173112807447689,6.051402558222534,7.263180794838045,7.888748439289943,8.178480079906622,8.286722633862857,3.4686295358660546,0.701911329739343,0.0232236269648214,13.057548167195584,6.012947412146982,7.72905258997294,1.7569260430004685,2.0054936495723337,4.413193061553699,0.4010987299144667,5.214283488888069,0.1403845554700632,18.04944284615101,-2.0054936495723337,-4.413193061553699,-0.4010987299144667,-5.214283488888069,-0.1403845554700632,-18.04944284615101,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.30880573613766,10.092039567009529,10.854651235327871,11.59151283253889,12.29849112904643,12.972643188375102,13.612175354614102,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_33,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217364863204383,0.9154512193447836,2.196645271041469,3.964270499154778,5.617806195983953,6.697611181692044,7.26066968311812,7.522813262411226,7.6209723223820784,3.3435740473326097,0.7167103004538872,0.0234297152292919,11.361697762162914,5.496323029196988,6.857318655369978,1.767873129243816,1.8381337236891169,4.017013393125183,0.3405703157930508,4.562696250033524,0.1794001649296864,16.0020749343066,-1.567569434241392,-3.4774135024651134,-0.3405703157930508,-4.292131960585799,-0.0589990561254489,-16.0020749343066,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.776382402992247,10.542314403758846,11.280018360220003,11.987438506869951,12.663016933326851,13.305706224061558,13.91497457171755,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_34,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174372932976052,0.9162831989806396,2.197031025782175,3.99143959487752,5.706366435247525,6.839903805235983,7.434093392580064,7.711335333534404,7.815238414966402,3.3563241950374105,0.7175038606114563,0.0233503453758957,11.518756886751785,5.570622613733968,6.905373981238161,1.7628457939915725,1.6280083038784596,3.5456845113970266,0.2898770628384014,3.947024806585672,0.1809442024039118,13.937582776160326,-1.2707623245055548,-2.8332109924346733,-0.2898770628384014,-3.589778827212766,-0.021969741582969,-13.937582776160326,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.720708277250012,10.495221403936435,11.239184641576871,11.95114902976604,12.630035161364052,13.275155148433178,13.8862396609432,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_35,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166105063747582,0.9194889500757372,2.296760090544582,4.499008939373921,6.765885105493271,8.301563000683926,9.112792342530735,9.49231744973581,9.634692572717029,3.6912377757839407,0.7182380993433477,0.0230380438608032,15.36367376725038,6.89615948296094,9.084732624247106,1.9196534500278024,1.5865912000940368,3.4725826250358525,0.2990896937258709,3.979308749901004,0.1452399083058381,13.9147498749876,-1.4043057371646728,-3.109041612042675,-0.2990896937258709,-3.797023286971641,-0.0641228773022712,-13.9147498749876,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.546580677871017,10.340150737594923,11.096977619578984,11.81755217445208,12.502171581786577,13.151105388224318,13.764741779021302,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_36,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2185240598642477,0.9204220740450306,2.2484239056283872,4.244719735013205,6.237152891524075,7.573626290648884,8.27742720210664,8.606335520486502,8.729673268412002,3.523488156613152,0.720176945558185,0.0235955963737364,13.59362147401945,6.240146183077618,8.110752354968248,1.8500672442936144,1.706427450819992,3.7226822363025134,0.3098598944332873,4.18530660628629,0.1783729135524826,14.729335142765706,-1.392171493512881,-3.0959458678470777,-0.3098598944332873,-3.87105064897918,-0.0385290125508182,-14.729335142765706,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.60278975456149,10.3818304260111,11.129842558759243,11.845528184240305,12.52788331813496,13.17626284344908,13.790423820796107,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_37,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1568381871539478,0.7846766961800311,1.916292170440048,3.5361546214230555,5.1387045592717016,6.217769596925333,6.788095471729961,7.055149829818328,7.155379704384291,2.95508235261798,0.605291853559737,0.0097447400798567,8.367423836483228,4.391665469897513,4.640647568293733,1.2952611086212722,1.663937776576749,3.451984063169567,0.0573109459615637,1.7705052911482797,0.5650630524023381,8.35149430056525,1.2507919774706469,2.5428352486550367,-0.0253182138596565,0.6856619694384464,0.5279313785587549,-7.647654194323291,43.0,102.8073,3.0,2.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM1064,6.833243749930268,7.572822267890999,8.312764742531067,9.04742366668933,9.771699353342692,10.480934974825402,11.171011543355586,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_38,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.104393425481152,0.7392362572201494,2.216662220436729,4.303477003066594,6.264746457667248,7.552583729299722,8.225909335333872,8.53973242940914,8.657292862444677,3.570385274238193,0.5333440124725637,0.0038894055907755,13.397814273055554,6.119344378295028,8.057924208360241,1.7978213376611956,0.4972837626321772,1.063257429770392,0.0693490439131623,1.0520761139374764,0.0912618170341393,3.873399691424134,-0.1962066764994466,-0.4628043430415809,-0.0693490439131623,-0.7509990278047457,0.0427174862949257,-3.873399691424134,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.755448988159312,8.535379147914016,9.298850157472607,10.044444872827508,10.769911551889022,11.472632796526463,12.150065309268191,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_39,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2158842698361603,0.8959746356698434,2.193274134329528,4.182111400137828,6.139290756988353,7.434472160206537,8.111817837557217,8.427377910394473,8.545557748671124,3.465265372179565,0.7037749505684073,0.0233347491196435,13.283219168027925,5.944287755207138,7.949207875462643,1.751454759664098,1.5948477271957986,3.4761860400957825,0.2866135879989929,3.8877564311877415,0.1723067611040184,13.706510395958851,-1.271288152794131,-2.830895002887817,-0.2866135879989929,-3.5641968567860745,-0.0283227504952764,-13.706510395958851,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.322085148479143,10.095775287548587,10.850215881035892,11.580152824633192,12.28133531047608,12.95070420447526,13.586350647224965,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_40,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2188344762275068,0.921179368104434,2.2527814944035605,4.266774541077017,6.2836416865515,7.638217171098001,8.351910466562648,8.685511887089367,8.81062010388613,3.53798044577089,0.72085453180597,0.0236294522738655,13.737393363702104,6.282702319462656,8.191394452048728,1.854084933753124,1.7119795977269745,3.7350030181731846,0.3110702199264733,4.200541357138761,0.178574258626366,14.781302387164338,-1.3987226015377587,-3.110258927823222,-0.3110702199264733,-3.8872843609495455,-0.039174895322165,-14.781302387164338,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.56626381989718,10.34851935229171,11.09894126926864,11.81648588906194,12.500332578262494,13.149963963764987,13.765223417645572,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_41,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174026825723033,0.9209780773190268,2.3053702077859173,4.536316783155356,6.838877959571679,8.398445249769232,9.221871985596067,9.606981884575202,9.75143097789742,3.716651174743343,0.7195220590964996,0.0232375025836024,15.624863161845791,7.006217502282639,9.204704247763075,1.9303741997696733,1.5824352986894106,3.463348773756102,0.2981726033839401,3.967816125760931,0.1451100765718999,13.875628561125856,-1.3992907351499906,-3.09809441346126,-0.2981726033839401,-3.784671562221511,-0.0636107457968579,-13.875628561125856,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.521970592359471,10.316589749481238,11.074679910692252,11.796605688241415,12.48258828992879,13.13285371954247,13.74776600270746,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_42,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174294463616139,0.9169673973604384,2.210101411799284,4.052002884428663,5.817825912956012,6.982057843540922,7.591159140758715,7.875085885471075,7.981450580088603,3.398062816967216,0.7178690492835228,0.0233198035686328,11.920501022184403,5.759060670462255,7.093213229701141,1.782730856993969,1.6479665472180045,3.5901809540152883,0.2944286384914413,4.003395655149535,0.1812914163405595,14.128405505918847,-1.2963198376964082,-2.8888743388808926,-0.2944286384914413,-3.651748945627938,-0.0248086306034491,-14.128405505918847,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.669300769703142,10.446787659579831,11.192992309042925,11.906706839586237,12.587013501005256,13.233332039033552,13.845464156676858,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_43,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177444540469563,0.9165707953429508,2.2081354150185413,4.020228452710766,5.720970201224821,6.826559434736391,7.400888710663638,7.667746761230252,7.767583437367896,3.381617475910652,0.7175772642016817,0.0235003757886805,11.742901512452567,5.675852357904878,7.02764750749916,1.787721754967485,1.8085339325030887,3.943914317237877,0.326926672826007,4.423947315111144,0.1918100884151115,15.581203119035584,-1.4607327957569802,-3.250277120168275,-0.326926672826007,-4.076146178365036,-0.0370385825630931,-15.581203119035584,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.771579771130778,10.535223093216228,11.271117983424912,11.977123197613729,12.651607077957827,13.293461810461784,13.90210672664119,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_44,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169469946910643,0.8975357593052606,2.2056998726355026,4.25959056201454,6.2586867939581285,7.55694966901482,8.228048674803956,8.53893217402047,8.655078961644763,3.5186915725077736,0.7058640866032575,0.0233555201369749,13.8770379920465,6.346248722183205,8.104548309070951,1.774496842299146,1.8093325996859893,3.979229220994549,0.3596344854179835,4.686408483029859,0.1308383467015461,16.23935270678962,-1.787012254493846,-3.934714640560597,-0.3596344854179835,-4.664088137837715,-0.1209057930910421,-16.23935270678962,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.229911220763944,10.007297882349526,10.762082094406578,11.49043918205544,12.189100615646511,12.855641464199287,13.488537095576994,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_45,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0998439434806653,0.7147177633534294,2.22218492708537,4.47372772473593,6.569337343781317,7.918083225858095,8.615253559314041,8.938481085147153,9.059298452582102,3.680154135229744,0.5148178512632872,0.0034932395630622,15.29773093931856,6.442875452679608,9.293180801771848,1.7624518510143732,1.479348133560091,3.2553824940019265,0.2958696267120183,3.846305147256238,0.1035543693492062,13.314133202040823,-1.479348133560091,-3.2553824940019265,-0.2958696267120183,-3.846305147256238,-0.1035543693492062,-13.314133202040823,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.53750951459181,8.377296824741405,9.200744301137911,10.003425409028589,10.781302947600324,11.530828084344996,12.24911793332053,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_46,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0984616140687426,0.7128579217043258,2.225332357549489,4.481112353278274,6.564514196957277,7.894771536906064,8.579114786035786,8.895658404667788,9.013859489913528,3.687481524189983,0.5125591529105994,0.0033874989303473,15.335957523811604,6.403126332941492,9.39260976627139,1.765096900115522,0.5821282634643526,1.2448836664605147,0.0813921923360422,1.233265802152691,0.1064367166115576,4.5384851640426085,-0.2317936598960702,-0.5461938498341107,-0.0813921923360422,-0.8829311985844084,0.049462181976328,-4.5384851640426085,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.714958376567051,8.51361196604578,9.303982634506436,10.081202018464532,10.840085755614815,11.575785892114023,12.284223897076714,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_47,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1011635437241509,0.7238616626084057,2.272484853817485,4.6780498453813495,6.982387076581967,8.48187495702585,9.25986472756466,9.62105230928532,9.756127110189608,3.8190703176462377,0.5211470943713716,0.0035554335657041,16.606923246401433,7.001726404849729,9.956312849587636,1.8464823789435207,0.6906450060502344,1.476740399657675,0.0963642756533787,1.4615592112772646,0.126654010842269,5.380510543318748,-0.2729977504835535,-0.6438055955182651,-0.0963642756533787,-1.0439119557105838,0.0591990178849039,-5.380510543318748,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.672878153508834,8.455277017774593,9.231563075253703,9.99663147658865,10.745177720743609,11.472261087149835,12.173696533620236,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_48,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1010591862682456,0.7232135775907936,2.273262840238857,4.685964382254224,6.998145012190196,8.502175425286074,9.282207467172531,9.644257414499364,9.779639937217006,3.824125247464278,0.5206427654406673,0.0035489665181619,16.70829566255883,7.037149642564365,10.007628009429268,1.8469333401441503,0.6538141226884566,1.39953862502363,0.0927289060628961,1.3956453711916257,0.117080585728433,5.123648734700205,-0.2734749379405044,-0.6410091719215516,-0.0927289060628961,-1.0153061864436734,0.0521703514844057,-5.123648734700205,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.64743970585408,8.431542438458246,9.209661181018104,9.976577221984234,10.726904026905713,11.45564796756787,12.158594517119582,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_49,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.098239671587196,0.7119805760432699,2.2292868468937264,4.50479664182305,6.607813265611751,7.9493117374052,8.638942898814713,8.957815609922891,9.0768674413397,3.703557320307241,0.5118135903069793,0.0033722825880009,15.533027503785284,6.498212151637099,9.47930507050678,1.771964792345049,0.5581684091893575,1.1915895951030322,0.0760481743496543,1.166553803986592,0.1057946151836622,4.311805532939873,-0.2023133343071854,-0.4818900265117724,-0.0760481743496543,-0.8106987291044199,0.0525608931389043,-4.311805532939873,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.723230898425935,8.522950642272715,9.314407710798472,10.092663647306768,10.852480314579932,11.588974820729696,12.298051144797975,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_50,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0997457249334136,0.7141736043747966,2.2223672833439743,4.48295033464435,6.589707959697244,7.9451053216598035,8.64537407146053,8.969948275260975,9.091253844565248,3.685474063696822,0.5144260647433027,0.0034867756634881,15.393850950713242,6.4753581456625575,9.343230169276444,1.7622855949613303,1.4498173782329806,3.1903985313053425,0.2899634756465961,3.76952518340575,0.1014872164763085,13.048356404096827,-1.4498173782329806,-3.1903985313053425,-0.2899634756465961,-3.76952518340575,-0.1014872164763085,-13.048356404096827,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.564180236007111,8.403953250439532,9.227389746606244,10.0300518344094,10.807893682382174,11.557361422703982,12.275570378117411,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_51,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2151409250459565,0.893669134169118,2.1896180045627767,4.138801012902175,5.988675809596929,7.181754773264233,7.797632304287913,8.08287068848305,8.189433838813775,3.44445260841508,0.7018749157921227,0.0232288867176765,12.820680602992226,5.896358081938224,7.619155373838873,1.7456854625928315,2.0490850022628413,4.5091180998995,0.4098170004525683,5.327621005883388,0.1434359501583987,18.441765020365573,-2.0490850022628413,-4.5091180998995,-0.4098170004525683,-5.327621005883388,-0.1434359501583987,-18.441765020365573,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.344256318749949,10.123851784994049,10.88372287422182,11.61856302416266,12.324090853169093,12.997240861817929,13.636119053043178,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_52,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1029519008414446,0.7337347328543393,2.216831861018719,4.27060076922738,6.1002656634833725,7.256353586968959,7.84948758754214,8.12363286668376,8.22597745910434,3.561144032437101,0.5287229282682693,0.0037853308027056,13.080574634640111,6.153872231888697,7.751812172194079,1.791807490884604,1.0426453614062283,2.2941012922844863,0.2082438732543564,2.7085963474410804,0.0735199234738533,9.378104272118271,-1.0397933711373362,-2.2884134254917203,-0.2082438732543564,-2.705744357172188,-0.072250787804196,-9.378104272118271,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.804772986139818,8.590957600276878,9.360933414157593,10.11295089828939,10.844483388075846,11.552716541410994,12.234987887885865,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_53,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166862172630965,0.8965419434099664,2.197176910871222,4.223161340935351,6.1821837189857005,7.449527079639061,8.103433786717588,8.40610508662719,8.51914565825656,3.49416950574316,0.7051946771735462,0.0233000569963034,13.54919533626344,6.249580219550845,7.92173315800093,1.7627293648526463,1.858511943744382,4.089752174830587,0.3717023887488764,4.8321310537353925,0.1300958360621066,16.726607493699433,-1.858511943744382,-4.089752174830587,-0.3717023887488764,-4.8321310537353925,-0.1300958360621066,-16.726607493699433,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.24740660065863,10.027366020573965,10.78422450635554,11.514278683964166,12.214348656866411,12.88207341140122,13.51597452149632,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_54,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1033647263718836,0.7368457417926767,2.220274402596232,4.320239045845907,6.2907941764648365,7.582695403958706,8.257608848596556,8.572061499392305,8.689840823511107,3.5826981744396584,0.5308983093172237,0.0038344329338025,13.608429834164502,6.211820208775573,8.1428074116098,1.8040483263454088,0.6922171224479589,1.5199825286248732,0.135264750556043,1.7743351268963037,0.0544152121967609,6.166380623360656,-0.6604303831124717,-1.4565886450311438,-0.135264750556043,-1.7425483875608163,-0.0402701131924691,-6.166380623360656,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.800068503334002,8.583409970034452,9.35021701917307,10.098964153605069,10.827298766023826,11.532530770867304,12.212077243557934,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_55,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2159420026964669,0.8960617268683112,2.2042081185910103,4.233781773973057,6.236733765042472,7.560688761355458,8.252282487174933,8.574277972342497,8.694834282820421,3.500634339243439,0.7037001557791462,0.0233877135791553,13.681031392877596,6.101092347963937,8.151996678101822,1.7692716755472997,1.5484049372574609,3.37311085238312,0.2764759466578431,3.7602125105202058,0.1706477970961141,13.271543619444166,-1.21635452932097,-2.71088612131498,-0.2764759466578431,-3.4281621025837152,-0.0228853655643758,-13.271543619444166,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.34360914088774,10.11915865506805,10.875521106802864,11.607306048634507,12.31017893900992,12.98103647434585,13.617953005801551,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_56,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1561031661193914,0.7815617802387783,1.9034020829069576,3.481448764911335,4.998255982916866,6.000100451912587,6.52468796168813,6.769310854395099,6.860965624888905,2.920784071944176,0.6030591205299134,0.0096670875731543,8.419800081782647,4.326578707096861,4.6388705307302,1.2740945893517566,1.9050305177140967,3.965635439144198,0.1377796966217941,2.8924280040246653,0.5672340324881727,11.917086246571053,0.5794335908887853,1.048590470624905,-0.1273396887432682,-0.5576040083473202,0.4717626455882461,-11.687406073243482,43.0,102.8073,3.0,2.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM1064,6.866714244190444,7.60883467839021,8.351793634094713,9.089759696250052,9.817438750438496,10.53001234574393,11.223245164708924,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_57,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1576525366496154,0.7812198558571966,1.9009996688579247,3.5599753712309483,5.250633125491948,6.403709829817671,7.016253395648096,7.303667245471464,7.411626494185796,2.957188210216195,0.6038069075865063,0.0100454984914084,8.79069414790722,4.431184828361465,4.946387664346135,1.280452480576901,1.5059230495638165,3.0799938219218843,0.0480085989415691,1.7615648620597346,0.5553293353597482,8.08310179303445,1.0842129597102317,2.151998840274399,-0.0363334190291477,0.6612269018029409,0.5228129995591424,-7.826247834961181,43.0,102.8073,3.0,2.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM1064,6.850656441355691,7.60328943873284,8.354883272384008,9.099016442086088,9.830329931281716,10.54424989037895,11.236934365614928,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_58,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1568328502910931,0.7846623465012227,1.9162871245489648,3.5361905070608093,5.138781474649399,6.217870245185871,6.788207322151802,7.055266619914093,7.1554982995042495,2.9551024666496977,0.6052789219953921,0.0097440999652801,8.367568466153104,4.3917660294766,4.640659113967335,1.295259260135741,1.664040305718883,3.452232105071982,0.0573046116027704,1.7703202655920014,0.5650748298083321,8.351130139644514,1.251065522849836,2.5434596206799345,-0.025290344971039,0.6859144079219008,0.5279495999053544,-7.646816273746423,43.0,102.8073,3.0,2.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM1064,6.833488831765131,7.573097618798521,8.313059866063744,9.047731751328444,9.772015994907214,10.481257386110912,11.171338034447274,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_59,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1043758011859813,0.7391839206811673,2.216606915986852,4.303467945062735,6.264790697836526,7.552660640840584,8.226002125449012,8.53983232011249,8.65739536354141,3.5703570928163435,0.533298033391182,0.0038881128905393,13.397934423667373,6.119262610472676,8.058038842075558,1.79775044689415,0.497107708303946,1.0628691560198886,0.0693130017787545,1.0516117225339827,0.0912510518600911,3.8717985770948222,-0.1960223094835997,-0.4623994908825309,-0.0693130017787545,-0.7505263237136363,0.0427319506149629,-3.8717985770948222,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.7552235850408655,8.535147464928198,9.29861402408027,10.04420617767322,10.769671906016502,11.472393434252083,12.149827100556404,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_60,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2158983632238384,0.8959591939407481,2.193184128265412,4.181998935921031,6.139222194377295,7.434449802188742,8.111822859661071,8.427396253847014,8.545581161868078,3.4651501046997417,0.7037708949381499,0.0233415574777025,13.282670353210218,5.943956237304543,7.948910029796117,1.751316448490014,1.5948472335159112,3.476195850173717,0.2866240579735013,3.8878396973039218,0.1722869102142653,13.706717327049583,-1.2713933462191025,-2.8311155900433267,-0.2866240579735013,-3.564385810007113,-0.0283499303671853,-13.706717327049583,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.321705784085369,10.095389222092056,10.84982528243026,11.579759528830245,12.280940678783088,12.950309158183895,13.585955761380545,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_61,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2188250387549221,0.9211554576568916,2.2527717406586065,4.2668104527416775,6.28372417720121,7.638329493579607,8.352038069206388,8.685646539604738,8.81075738596027,3.537999157443046,0.720832235051084,0.0236287560923462,13.737677760328255,6.282787389894116,8.191565327865979,1.854086325812144,1.7119675955151947,3.734988285537399,0.3110791470709985,4.200600772083183,0.1785521792461393,14.781420918995943,-1.3988238751947906,-3.110470106916401,-0.3110791470709985,-3.8874570517627776,-0.0392032237035594,-14.781420918995943,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.566549160990286,10.348835010558476,11.099291697265164,11.816872834871942,12.50075566560224,13.150421298686728,13.765712129149213,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_62,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174313124699903,0.921000877483713,2.305384719753408,4.536337393954176,6.838909057296125,8.398483989706257,9.221914819280626,9.607026638171314,9.7514764519653,3.716668651046856,0.7195478412231876,0.0232479932415603,15.625090452653287,7.006298060847677,9.204865236332244,1.930418866679351,1.58254736320114,3.4636012883339373,0.298200749298012,3.968153357585236,0.1451071716907347,13.876751801965945,-1.3994601297789804,-3.098461264358453,-0.298200749298012,-3.785066124163076,-0.0636333528178735,-13.876751801965945,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.522849205811736,10.317472011322806,11.075569358367986,11.797504660995669,12.483497932860526,13.133774181129624,13.74869669475283,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_63,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217365008811973,0.9168787303421916,2.210024637775933,4.051948035516942,5.817795988693733,6.982044892720684,7.591154930262612,7.875085688657054,7.981451875292578,3.39799960262138,0.7177811145276779,0.0233015489148421,11.92042517912686,5.7587249005949,7.093316396011163,1.7826005523813626,1.6479403812297606,3.590118223956935,0.2944184097645623,4.0032876593462605,0.1812989513386891,14.128070101440052,-1.2962437164158624,-2.8887119804853363,-0.2944184097645623,-3.6515909945323615,-0.0247939354965043,-14.128070101440052,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.670217354637924,10.447655790185644,11.19382142275764,11.907505558241006,12.587789294837584,13.23409115019295,13.846211667451476,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_64,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177494682959887,0.9165446725346612,2.2080528639994976,4.020095424334586,5.720805140388127,6.826379373419331,7.4007023838975075,7.667557846547582,7.767393604907901,3.3814998742815985,0.7175614990336716,0.023504052755179,11.742289273335777,5.675439129726067,7.027396136183536,1.7875973847384496,1.808563974933044,3.943978200065344,0.3269305211953593,4.424008144495919,0.1918162416039057,15.581430298572409,-1.460741237020549,-3.25029792270956,-0.3269305211953593,-4.076185406583424,-0.0370351232328454,-15.581430298572409,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.771878084754992,10.535516863226686,11.271413070714775,11.977423355189408,12.651914416327596,13.293777230287064,13.902430287450397,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_65,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1571078421690686,0.7799822914024306,1.9032492478592389,3.53640098174646,5.140028185201847,6.206770015494456,6.766533053730814,7.0277428849213655,7.125636773902224,2.950246039938278,0.6026492391027322,0.0099547689626625,8.82287067897525,4.477070857810442,4.8686249190459625,1.2819672383949627,2.0377774559475506,4.267327335161362,0.1788297566500233,3.378992293045304,0.554243783675669,13.48230889508051,0.2901268058575139,0.4215312018044322,-0.1707003733679839,-1.167609191616138,0.4298216964603098,-13.303462462875643,43.0,102.8073,3.0,2.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM1064,6.821086664201548,7.57519055042948,8.328304856740964,9.074131321045003,9.807332563522309,10.523302671772656,11.218144360752238,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_66,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1022879773648016,0.7329212589016815,2.2319498088984475,4.325408028901899,6.1930589553812485,7.373361617938825,7.979066203802761,8.259069273861146,8.36360945497827,3.601449076535257,0.5274019776242737,0.0037575996947317,13.482841050617555,6.361014931890612,7.913868649735138,1.8138385062643063,1.060428326299136,2.3307761183993656,0.2094168687449039,2.735763276258368,0.0792339763064205,9.49047900639376,-1.033740361149904,-2.277550975103994,-0.2094168687449039,-2.709075311109136,-0.0673578318150121,-9.49047900639376,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.763699373805489,8.554647043059285,9.32907547688225,10.08511487341056,10.820164407386224,11.53137893784038,12.21610017235854,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_67,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2151208122882882,0.8937411967672082,2.197686779646869,4.173006092617685,6.051300087049547,7.263080641584424,7.888649220402651,8.178381234348528,8.286623918559183,3.468521830607471,0.7018328878028217,0.0232138864113639,13.05709266995791,6.012521338152611,7.728857431151709,1.7567545536163354,2.0054333130472908,4.413060287892843,0.4010866626094582,5.214126613922957,0.1403803319133102,18.048899817425617,-2.0054333130472908,-4.413060287892843,-0.4010866626094582,-5.214126613922957,-0.1403803319133102,-18.048899817425617,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.308637107537317,10.091840562555372,10.854425082699612,11.59126336255518,12.298222239956358,12.972358548503596,13.611878254859676,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_68,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217371799786419,0.9154797398015192,2.196650568385773,3.9642225089711984,5.617720687374333,6.69750685275852,7.260556839043866,7.522696704877369,7.620854411814885,3.343543543606494,0.7167361843220976,0.0234283665861594,11.361375549162698,5.4962198884266655,6.857146179062488,1.7678623424450868,1.8380709568768097,4.016872191661625,0.3405547752343411,4.5625091587515385,0.1794013722457909,16.001450289070874,-1.5674767954666005,-3.4772127258531733,-0.3405547752343411,-4.29191499734133,-0.0589869704182475,-16.001450289070874,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.776355281693624,10.542251337291232,11.279920738920566,11.987309320006856,12.662859946829636,13.305525448782769,13.914773937451724,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_69,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173993510486953,0.916260371754174,2.197065152481365,3.9914865413692695,5.706369074463766,6.839863355539011,7.434028078369983,7.711258056644153,7.815156606175287,3.356376021963908,0.7174730070682879,0.0233364378150979,11.518862513077703,5.570690808562712,6.90538548830341,1.762859620304758,1.6280255415811973,3.545711974086013,0.2898703555092116,3.946988385654891,0.1809644494238607,13.937534818090215,-1.2706780135109197,-2.8330359314790545,-0.2898703555092116,-3.5896408575846124,-0.0219447994325871,-13.937534818090215,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.72144306329541,10.49592190292564,11.239853051139342,11.951789008399668,12.63065091442344,13.275750895416143,13.88681935041262,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_70,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165912205856221,0.9194573635391892,2.29674613018991,4.499056156021489,6.765995230742895,8.301711092786741,9.11295889745314,9.49249227703756,9.634870444649328,3.691261427834114,0.7182074274722609,0.0230335763954487,15.36410653378362,6.89628923506621,9.084971232186986,1.9196158736418696,1.5865606229766982,3.472526136033308,0.2990940510758673,3.979313031583636,0.1452181314573794,13.914684136400837,-1.4043798877819746,-3.109193986797711,-0.2990940510758673,-3.797132296388913,-0.0641477042957274,-13.914684136400837,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.546985484337206,10.340513006104542,11.09730311835697,11.817846674068972,12.502440510416662,13.151353661590932,13.764973735112251,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_71,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2185610424805135,0.9204560991873364,2.24843055008863,4.244758734975007,6.2372585804422025,7.573781340995066,8.277608557981209,8.606529167734148,8.729871520490645,3.523508692753735,0.7202160546884739,0.0236073858653836,13.593872017746095,6.24031124091548,8.110839259976379,1.8500911905927844,1.7063991849815183,3.722630793872148,0.3098646757104741,4.1853165906653125,0.1783513703596365,14.729289439117078,-1.3922475721232233,-3.096102524768207,-0.3098646757104741,-3.871164977807017,-0.0385539026376951,-14.729289439117078,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.60282549389573,10.38185142380067,11.129849942860275,11.845523351628682,12.527867800369616,13.176238208712856,13.790391601398715,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_72,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217022606505023,0.897611699677291,2.2057302241455035,4.259575229809714,6.258639294848068,7.556885278820802,8.227976629368484,8.538856819268469,8.655002408288055,3.518690629494611,0.7059463407718856,0.0233803145653996,13.876683549196883,6.346338563537183,8.104283556396593,1.774570209201198,1.8093591091332537,3.9792832650335854,0.3596356250023587,4.6864441091521245,0.1308480066848749,16.239508045713443,-1.7869971408903345,-3.93468567366832,-0.3596356250023587,-4.664082140909205,-0.1208969308167759,-16.239508045713443,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.229992474370276,10.007414923222496,10.762229809469169,11.49061330833866,12.189297317680596,12.855857189944036,13.488768554089855,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_73,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0998147032838658,0.7146219609425417,2.222036570818859,4.473582964691663,6.569232659866636,7.918013651658352,8.615204015666151,8.938441182395612,9.059262206023272,3.680001560053091,0.5147369148913966,0.0034910969116518,15.297081336576992,6.44229682535642,9.29291335193716,1.762205237067206,1.4787008664559873,3.253958149081456,0.2957401732911974,3.844622252785568,0.103509060651919,13.30830779810388,-1.4787008664559873,-3.253958149081456,-0.2957401732911974,-3.844622252785568,-0.103509060651919,-13.30830779810388,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.537251580567889,8.377028918174243,9.200469551256653,10.00314630727333,10.781021299908964,11.53054509885014,12.2488343511655,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_74,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0984675265733163,0.7128696668903272,2.225301998767512,4.481017759868468,6.564382470877269,7.894625540829989,8.578963780241896,8.895505556632742,9.013706026739984,3.687406715455037,0.5125721758528174,0.0033879034304311,15.335241892278615,6.4028692274372485,9.392193984678508,1.7650472391230687,0.582165179686765,1.2449658718877492,0.0814005157849581,1.23336930596643,0.1064375378638139,4.538836214132988,-0.2318399781628163,-0.5462948062284624,-0.0814005157849581,-0.8830441044424815,0.0494571768143432,-4.538836214132988,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.715188440735758,8.513846567365638,9.304221245101536,10.081444412382917,10.840331673676827,11.576034919049832,12.284475455097327,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_75,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.10116761719876,0.723875315663857,2.2724990214665524,4.678032980512644,6.98232703181662,8.481785047401555,9.259759276114904,9.620939667805274,9.756011786006136,3.8190672080162233,0.5211586954517347,0.0035557089532914,16.60672707317101,7.001674011763908,9.956169649743794,1.846502721022409,0.6906899962380655,1.4768411496919145,0.0963749679387483,1.461689739748052,0.126653983440786,5.380949339965293,-0.2730596831494178,-0.6439401347835705,-0.0963749679387483,-1.0440594266594043,0.0591915058836622,-5.380949339965293,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.674004215980986,8.45637898429664,9.232645668406567,9.997699478728943,10.746235478325124,11.473312283129449,12.17474413565684,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_76,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1010548528578392,0.7231924116679047,2.2732185441856334,4.685910977986523,6.998093286889665,8.502128602662236,9.282164319030231,9.64421623167641,9.77959953139025,3.824073338254221,0.5206266501540089,0.0035486620528515,16.708124147986606,7.036939783394607,10.007521995515388,1.8468537504193885,0.6538663805565673,1.3996451054844703,0.0927310980703199,1.3957151651191266,0.1170997304658226,5.123953864189235,-0.2734446001466318,-0.6409509277239156,-0.0927310980703199,-1.0152933847091912,0.0521879618165987,-5.123953864189235,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.648343859510465,8.432403599331254,9.210488561519153,9.977379138635348,10.727687606455346,11.456419102271704,12.159357953029565,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_77,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0982249290649977,0.7119400685463133,2.229241858772554,4.50474124478408,6.607742076441477,7.949230736222224,8.638857294177356,8.957728003706748,9.076779109830404,3.70350697671641,0.5117769645058812,0.0033712230078964,15.532761881165763,6.498016954478215,9.479142755736277,1.7718904695792213,0.5583821960189224,1.1920526959537097,0.0760838045444482,1.1670526323745083,0.1058229437075799,4.313587070983577,-0.2024558494255601,-0.4822109866252375,-0.0760838045444482,-0.8111262857811461,0.0525642805264662,-4.313587070983577,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.723306525798421,8.523007444831366,9.3144510414736,10.092697771899848,10.85250846802211,11.588999372401622,12.298073784610896,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_78,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0997393402095768,0.7141593493449252,2.222357072514118,4.482916688117867,6.589638747612754,7.945011863766487,8.64526811867802,8.969836565612761,9.091139990324788,3.685451618048334,0.5144119138927378,0.0034863113868773,15.393528807850425,6.4752189951640045,9.343012564259505,1.7622670235464268,1.4502225634434098,3.191290162430523,0.290044512688682,3.770578664952865,0.1015155794410386,13.052003070990686,-1.4502225634434098,-3.191290162430523,-0.290044512688682,-3.770578664952865,-0.1015155794410386,-13.052003070990686,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.563967508954054,8.403718132038664,9.227139704740846,10.029792959856506,10.807630666593628,11.55709771734518,12.27530841760815,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_79,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.215135980301365,0.893698204833481,2.189668715013204,4.138845147777263,5.988701307964664,7.181766274428412,7.797636339401,8.082871236268426,8.18943308044821,3.4445015880447447,0.7018963617676379,0.0232220914519995,12.820549065237882,5.8964033904561415,7.619097399025192,1.7457559887984175,2.04899441545772,4.508918758924318,0.4097988830915441,5.327385480190074,0.1434296090820402,18.44094973911948,-2.04899441545772,-4.508918758924318,-0.4097988830915441,-5.327385480190074,-0.1434296090820402,-18.44094973911948,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.344348149166724,10.123910560548552,10.88375391630372,11.61857109554744,12.324080125965803,12.997214928088496,13.63608096306494,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_80,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1029602176202489,0.7337417510170188,2.21680592574765,4.270498720368377,6.100092378949713,7.256138904270358,7.849252995534102,8.123389377356732,8.225730696924824,3.5610700695591424,0.5287324056359877,0.003786402074719,13.079872841158036,6.153486246716481,7.751549409823072,1.7917540969125574,1.0425324250550272,2.2938532955882387,0.2082217957922277,2.70830679139285,0.0735110620390599,9.377098041119693,-1.0396855328672507,-2.288175596153546,-0.2082217957922277,-2.7054598992050733,-0.0722441950154994,-9.377098041119693,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.805100343489548,8.591262423403139,9.361216001753704,10.113212510639974,10.844725884364196,11.552942110597172,12.235198846895926,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_81,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166734990880148,0.8965021989536062,2.197105832167873,4.223054032547819,6.182048695077715,7.449377284460332,8.103277246723747,8.405945615685598,8.518985122860041,3.494074212358347,0.7051610494323776,0.0232990542307977,13.548483916232716,6.249202994939652,7.921370390042775,1.762628070553123,1.858610475357519,4.0899689987689385,0.3717220950715038,4.832387235929549,0.1301027332750262,16.727494278217673,-1.858610475357519,-4.0899689987689385,-0.3717220950715038,-4.832387235929549,-0.1301027332750262,-16.727494278217673,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.247369540276985,10.027319650408597,10.78416941910425,11.514216125959758,12.214280091908323,12.882000277606442,13.515898110453149,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_82,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1033448773031473,0.7367730157617572,2.220183450178824,4.320167493361022,6.290745556868779,7.582661071772896,8.257581664103963,8.572037573891587,8.68981810745397,3.5826183111737224,0.5308363133569686,0.0038334164731478,13.608242355576143,6.211511912990303,8.142683693104836,1.8038946732115004,0.6922243976213646,1.5199898845619908,0.135257812403199,1.7742868968469574,0.0544314586855089,6.166278236170805,-0.6603537264106262,-1.4564286114328546,-0.135257812403199,-1.7424162256362192,-0.0402490099967303,-6.166278236170805,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,7.800371421321834,8.583706606801778,9.350507089071227,10.099247988890191,10.827576743976625,11.532803108738644,12.212343968572592,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_83,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2159410085948284,0.8960522404896064,2.204163365022927,4.2336930882775,6.236617068344014,7.560559303961848,8.25214777951755,8.574141111366185,8.694696660508226,3.5005593642873696,0.7036943590403317,0.0233876365323257,13.68052197349751,6.1008455353481486,8.151710809232856,1.7691995799389,1.548418078291412,3.373139265000132,0.2764780851394796,3.760242759407249,0.1706496352031539,13.271652094246653,-1.216362773103384,-2.710904767098389,-0.2764780851394796,-3.4281874542192203,-0.0228850243944815,-13.271652094246653,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1064,9.34359596462052,10.119159640045108,10.875533947102738,11.60732914703276,12.31021095623066,12.981076152757954,13.617999123963171,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_84,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1561298193426136,0.7815975968178424,1.9033983460579789,3.481359468146729,4.998083953278785,5.9998767435955,6.524438217355635,6.769049204668467,6.860699552385361,2.920726081931936,0.6030965906930278,0.0096717403734884,8.419068384577889,4.326375473243333,4.638467996215494,1.274095740452963,1.9047800922665403,3.9650763760179584,0.1377206604313956,2.891699426520267,0.5672321543743595,11.914634830835393,0.5797761921332385,1.0493363935718194,-0.1272801195952648,-0.5567908941050291,0.4718021425504216,-11.684942932440515,43.0,102.8073,3.0,2.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM1064,6.867490497457982,7.609631517048768,8.352609114449765,9.0905933576134,9.81829055723044,10.530882213874694,11.224132791566644,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_85,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1576490517045455,0.7811790607922416,1.900903978421047,3.559885855161087,5.250593362453103,6.403709926967186,7.016275020920265,7.303698953725831,7.411661981399484,2.957088113480928,0.6037773188891707,0.0100462626593832,8.790451345049629,4.430980287049976,4.946225742988404,1.2803399652492853,1.5061603096797032,3.080539039069263,0.0480262517181095,1.7616887622975406,0.5553526750972475,8.083834972525082,1.0843894111927157,2.1524102448619264,-0.0363279279792878,0.6611849849850999,0.5228261424435274,-7.826471850271003,43.0,102.8073,3.0,2.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM1064,6.851530423151046,7.604249607794838,8.355914796841374,9.10010742565501,9.831470640789483,10.545432339623105,11.238152033386388,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_86,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0613898860714256,0.3490850816052288,1.159740503970573,2.599633805794765,4.110080818556495,5.144505400064739,5.6943113683946365,5.952292300115786,6.049193119081283,2.0668204341709995,0.2548379525035293,0.0038501891156327,6.718815719447731,1.797854566728298,4.262129039462772,0.2148652476775211,7.424214273160123,17.062238282641154,0.670380772244357,5.837136389711519,0.8182088275822479,22.660329367074063,1.7678852919218728,5.092649768139622,0.0022118788592035,-5.837136389711519,-0.8182088275822479,-0.7255819014063101,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,14.576502843573769,15.358482358506768,16.06914292209792,16.7144923762626,17.300421252472024,17.832499812704253,18.315893627501595,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_87,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.073102624396979,0.3612833505471273,1.2024958729800608,2.8235793972684915,4.515153258321343,5.651731002863605,6.249246357856399,6.52820066597086,6.632759297330503,2.2199538041377385,0.2699083710205361,0.0055057165467559,8.309102697069616,2.3833056320220023,5.091744648386312,0.2564602387258695,6.513551342962976,14.471185751555751,0.7237327017666826,9.039728883342306,0.9645964116713936,25.777188238778063,-2.197065955094612,-4.067550557662856,-0.4078923075324119,-9.039728883342306,-0.9645964116713936,-13.829687086690244,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,16.098203578587558,16.682827758797217,17.210865322085322,17.691052502562474,18.130035256238944,18.53296273748049,18.90390458421742,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_88,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0679667892029886,0.3493671435845268,1.1090481196813815,2.4432752358652743,3.810930741407672,4.735051717955662,5.223366300798357,5.451934614703389,5.537703617415949,1.953479826139616,0.2601717394882458,0.0047579087172746,6.300743774728469,1.623279808831072,3.946941634264784,0.1382061343207455,6.411171391210908,14.426476392361328,0.6824739321843483,7.709919651855312,0.8377675908035073,23.398202562649388,-0.9078561954029836,-1.1623324165451072,-0.2797923324910856,-7.709919651855312,-0.8377675908035073,-10.281116700990804,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,15.522341928224163,16.17920971095686,16.773447733179808,17.313436112008844,17.8057995948154,18.25589384327223,18.66814872532328,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_89,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0649052167105342,0.3489587784483244,1.175356091171171,2.7578321476096823,4.448954458066294,5.6029589206507415,6.213675935452022,6.499562310369852,6.606832683829487,2.164410260623707,0.2571712984835486,0.0043299696827358,7.6836506122216575,2.092621505747515,4.784929654716663,0.1977226500186863,6.3139809810629455,14.407524771927523,0.5255699179501092,4.862050307539237,0.8243564793248557,19.80075632129745,1.1671832351340852,3.6236502089185225,0.0218323417716247,-4.862050307539237,-0.8243564793248557,2.169941155050496,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,15.018382754199768,15.749350230233487,16.407470041702403,17.00239797433755,17.541891027125473,18.032313858087413,18.47899756585211,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_90,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0646568087685867,0.3486405568371076,1.1990351422771457,2.80335665587208,4.459975628172916,5.566045201021387,6.145299405542882,6.415203721101395,6.51628423750333,2.2087201856823286,0.2562778903073706,0.0043035747185295,7.935049604348238,2.2792237999688605,4.8392371993640255,0.2313360340884236,7.897648375028556,17.922296819448864,0.7911052605481005,8.20301088554091,0.966335419333534,26.95551824563397,0.0688891258995236,1.2787295876050742,-0.2081878824314117,-8.20301088554091,-0.966335419333534,-8.019741758648955,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,15.37460722402658,16.067336957874122,16.69249039943974,17.259138730170328,17.774386443861527,18.24397828085045,18.67269766846693,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_91,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0677477633606954,0.3524209713540964,1.1202165020141852,2.424209685618114,3.726128035820276,4.597246114498262,5.056269839099386,5.270954706775023,5.351493742097926,1.9509931835817584,0.2616316352081371,0.0047203140334455,6.169690097459126,1.579969533078228,3.9015455157365313,0.1500068566824163,5.921327317703336,13.364063949462029,0.5749970839605582,6.247795487572631,0.8014251049213849,20.714981802481887,-0.2692676862703682,0.2585853162628933,-0.1614317450752192,-6.247795487572631,-0.8014251049213849,-5.060027213770324,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,15.108628455131504,15.821525058185788,16.464923529970626,17.047944197585036,17.5779739811424,18.061081924062066,18.502335457402097,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_92,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0604568580208576,0.3478568228042744,1.1822410975188111,2.7152136525750565,4.326056586820931,5.418746127069438,5.995573517876585,6.265301931365148,6.366464038845537,2.145174636391056,0.2532368687619901,0.0037338935541569,7.199171396879927,2.0053481853992827,4.501065647577745,0.225309196859772,7.564002243496888,17.38137444902466,0.7022631260770741,6.198760376190145,0.814762124701606,23.29014433048267,1.6720371730468764,4.879417860430749,-0.0264553638909446,-6.198760376190145,-0.814762124701606,-2.215002818397987,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,14.710288094421887,15.491636359066003,16.200563934451708,16.843395990078534,17.426245378961458,17.954845102703445,18.43448551271737,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_93,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0743303218201372,0.3506319317380746,1.1057798722145449,2.6318982707445384,4.315929225394448,5.481103551474434,6.101477096435474,6.392648983223221,6.502020547324225,2.0512848070112804,0.2659605478848684,0.0057076944562424,7.613859463088443,1.867153968937134,4.876006168123034,0.1522496177853395,4.564941104018088,10.12230563632022,0.3892116784905373,4.93812308348521,0.8171751929071525,17.12267363539728,-0.9403937044456953,-1.3863861324327935,-0.1240008931559719,-4.93812308348521,-0.8171751929071525,-0.8397663722305411,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,16.047948693573243,16.62011157448778,17.138193260966236,17.610208120314155,18.04238989767813,18.439637822047462,18.80585436185264,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_94,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0679216263632623,0.3492768140446812,1.1089581308700045,2.443210481452977,3.8108940247377023,4.735032675945945,5.223356034061299,5.451928316556021,5.5376987855709245,1.9534050509248533,0.2600870035382876,0.0047516004494458,6.30068290291311,1.6232454438930253,3.946884208542485,0.1381817086057613,6.411283370699198,14.426685028498628,0.6824995573496948,7.71041924907046,0.8378016563583327,23.39914242002837,-0.908209699812806,-1.163123178404628,-0.2798356302116662,-7.71041924907046,-0.8378016563583327,-10.282589144619266,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,15.521676918211597,16.17870128549544,16.773074225293595,17.313180502562762,17.805648003933715,18.255834638026982,18.668171973590848,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_95,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0649494610373923,0.3490462628249453,1.17542529232453,2.757900643684588,4.449052832375876,5.603080198791697,6.213808713581422,6.499700227407534,6.606972483729524,2.1644732308841377,0.2572548101503131,0.0043358675043033,7.683913194436833,2.092723963575369,4.785051515447909,0.1977286813237988,6.3140264366452925,14.407652782993916,0.5255664488674645,4.861886178415968,0.8243510683759382,19.800605271245715,1.167378267094408,3.624101823273691,0.0218534075037329,-4.861886178415968,-0.8243510683759382,2.1706488235151102,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,15.017650883832935,15.748833215509263,16.407128813246924,17.002204610976847,17.54182470951228,18.032358442601947,18.479140105676805,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_96,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0614172822327187,0.3491646828201818,1.159883232671261,2.599807902556456,4.110255232326886,5.144671922690262,5.694472060829321,5.95244995152817,6.049349583212107,2.066988484702633,0.2549042200746324,0.0038535704188254,6.71932811643351,1.7980830570709947,4.262453051148673,0.2149335601655503,7.424816388799313,17.06368348809758,0.6704345774945929,5.837329815520989,0.8182275473446817,22.661594009684887,1.7683929958019051,5.093879460515928,0.0022392799152523,-5.837329815520989,-0.8182275473446817,-0.7252414055920285,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,14.579178627956736,15.361092479684956,16.071701836684625,16.717010900762794,17.30290749379888,17.83495987418151,18.31833213742317,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_97,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0731028314989015,0.3612940588056841,1.2025394786050958,2.823645334413176,4.515224806931999,5.651801673269547,6.249315514781498,6.528268903898791,6.632827158207137,2.2200144833111968,0.2699144417639567,0.0055057166489517,8.30945157227092,2.383316968389952,5.092010989214933,0.2564450150283443,6.513360602759964,14.470725520031545,0.7237196730089065,9.039728853852418,0.9645880991195872,25.776848204860062,-2.1972652978525224,-4.068030507896749,-0.407907821430313,-9.039728853852418,-0.9645880991195872,-13.83011410051262,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,16.099156768063338,16.683776040784213,17.21181427335531,17.692005575421728,18.13099447741372,18.53392918925336,18.90487873388842,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_98,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0646581947542198,0.3486485270806742,1.1990267797722372,2.8032940009038656,4.459855739307249,5.565886466004781,6.14512002905867,6.415014649502826,6.516091522018915,2.2086779594936665,0.2562843709371763,0.0043037230182706,7.934451894800904,2.2790428116195285,4.838921250604743,0.2313270677340335,7.897867842555949,17.92288627239434,0.7911025384343783,8.202521978588337,0.9663168136146908,26.955187017358767,0.0695777390294751,1.2803287995192554,-0.2081187153915424,-8.202521978588337,-0.9663168136146908,-8.017556866548448,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,15.374244624204724,16.066987564853264,16.692157806571174,17.25882522519736,17.774093207566402,18.24370563581804,18.67244531840737,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_99,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0677842575445263,0.3524958450221883,1.1202868501698855,2.424233332971909,3.7260866640639776,4.597154222310808,5.056149502728055,5.270820681220084,5.351354520809146,1.9510364685035528,0.261701416070879,0.0047253819244379,6.169736633679719,1.5799768359158155,3.9015439488686776,0.1499895438158842,5.921215892754028,13.363692930573912,0.5750188135836215,6.248618403773163,0.8014692152862162,20.71600701704709,-0.270162089410694,0.256532078476418,-0.1615270718755726,-6.248618403773163,-0.8014692152862162,-5.063098974024701,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,15.108267446670869,15.821596232617429,16.465344428623535,17.04865340988584,17.57892443507711,18.062236657025743,18.50366486584068,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_100,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0604786011751396,0.3478960973406405,1.1822724591757707,2.7153120402209847,4.326262222393541,5.419026629439821,5.99589275108858,6.265638999429504,6.36680774618003,2.145240523994968,0.2532761649030407,0.0037366006900311,7.1995276512895225,2.005514878335103,4.501290820350956,0.2253338953911058,7.564765036570678,17.383199872345383,0.702308038261925,6.198737094911994,0.814814885091152,23.29157518349408,1.6727892265879487,4.8812435352001495,-0.0263894336405622,-6.198737094911994,-0.814814885091152,-2.2128363330929703,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,14.71240010772111,15.493872058227447,16.20293549110035,16.845906674638236,17.428892949533687,17.957624064362,18.43738859526337,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM1064_101,RSM1064.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0743236136316487,0.3506110529211674,1.1057174320403689,2.631785393323209,4.315787158376716,5.48094872033267,6.101317006130311,6.392486716327485,6.501857506338847,2.0511870931813965,0.2659442474491293,0.0057066905649847,7.613549843907481,1.8670280536827328,4.8758375905884375,0.1522235161133189,4.564380848052246,10.120894344496302,0.3891696498095263,4.938339858991296,0.8172014785805928,17.12218865651456,-0.9413058258256792,-1.3885235788524393,-0.1240665994027043,-4.938339858991296,-0.8172014785805928,-0.8410800659135175,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1064,16.050158063309684,16.622286709792018,17.140327569981636,17.612301631333345,18.04444592056112,18.44166107957109,18.8078499657886,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]nbo.cat1,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology nbo"
RSM0153_0,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0049327937286659,0.2022362298193058,1.2430124926727484,3.173622479878431,5.032597375794717,6.224971572895518,6.8383022616009805,7.12190563506557,7.227788507074966,2.4761108106241783,0.1123408197670333,7.445625299904945e-06,8.387274194515534,3.1483148120625226,4.872731335601172,0.4707358043940328,22.21347842379034,49.830159667128505,2.03434936075022,4.274154402078033,1.7330131022648136,57.24942005381479,-22.21347842379034,-49.830159667128505,-2.03434936075022,3.3701494075366183,1.7330131022648136,-57.24942005381479,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0153,20.136745915673405,20.55477624437792,20.88895549493438,21.15964497399169,21.38155616246804,21.56547903048148,21.71944170252632,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_1,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0060610208179406,0.2136247125686098,1.2114517389980612,3.104129809322441,5.011565135152915,6.26783272272262,6.92194506982735,7.22601049136393,7.3397784521197424,2.408744834421689,0.1223486159048385,1.0553005039750178e-05,8.046602644435504,2.9028258940110194,4.897247743758752,0.4796613137977881,22.535352259517712,50.51633432285719,2.0763969509101496,4.540427446261511,1.6706518587307977,58.59013415663927,-22.535352259517712,-50.51633432285719,-2.0763969509101496,2.722801879421428,1.6706518587307977,-58.59013415663927,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0153,19.895799393310053,20.34556095470764,20.70617869095359,20.99897616518389,21.23947111902103,21.43910853182546,21.60644189932404,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_2,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0049326417773015,0.202247079386685,1.243121414006924,3.173884512816899,5.032976558972087,6.225419579611128,6.83878491038162,7.122404223121416,7.228293038909248,2.4763227151153413,0.1123451413374011,7.444251476316941e-06,8.387955786941136,3.1487484783608344,4.873037922886523,0.4708253152034859,22.214210311871284,49.83178663942567,2.03442387162908,4.274413088318907,1.7330329627670882,57.2516598886993,-22.214210311871284,-49.83178663942567,-2.03442387162908,3.3699255700516244,1.7330329627670882,-57.2516598886993,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0153,20.11196533362776,20.53367811718631,20.87080510271662,21.143884334982083,21.367755652793875,21.553303526403266,21.70862659554902,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_3,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0060611529223091,0.2136180970844284,1.2113717857503954,3.103845510181179,5.011046698204878,6.267151578098198,6.9211770051266885,7.225201542964091,7.33895413087633,2.4085404372325283,0.1223457688570371,1.055510114278222e-05,8.045255848452841,2.902194632192577,4.8966883642966526,0.479595364933121,22.536041746771783,50.517864440080814,2.076484107929646,4.5409202944679725,1.6706566892248895,58.59327992829503,-22.536041746771783,-50.517864440080814,-2.076484107929646,2.7222102550720684,1.6706566892248895,-58.59327992829503,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0153,19.903208418801885,20.35187498832015,20.711609229016496,21.003687419966024,21.24359129960408,21.44273849906084,21.60966168279264,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_4,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0033300466627988,0.1962831488191177,1.3081009344052386,3.4056013804000504,5.429974742762458,6.72341672148539,7.386565543515703,7.692674519907005,7.806872755726387,2.645789489908944,0.1043582389716179,2.3106757399431406e-06,9.11636155869507,3.594313548751612,5.053984593157173,0.4740929070900765,21.935960204230845,49.23395213890104,1.995644699193811,4.011453757013969,1.7774918246450109,55.90628167950359,-21.935960204230845,-49.23395213890104,-1.995644699193811,3.922730579058041,1.7774918246450109,-55.90628167950359,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0153,20.271062378378858,20.688316411714528,21.01727203928024,21.280661139425188,21.49450044634936,21.670286827478424,21.81641785222337,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_5,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2054396829439176,0.5142125809189763,1.1737224128475403,2.687851047933225,4.488367363063833,5.769977621608799,6.4595894092902855,6.78459845712505,6.906876684412214,2.091830279945599,0.4369412116373632,0.0431938386650889,6.937081344364117,2.018209929656716,4.10708178541054,0.2543272436811746,7.740932885016262,16.725221007007264,1.0605168950962798,13.862251067559436,1.0776326635393747,36.99421445627503,7.740932885016262,16.725221007007264,1.0605168950962798,13.862251067559436,1.015749361728666,36.99421445627503,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0153,5.656247329275734,6.634031309246961,7.547953461598415,8.387561221042551,9.150239868234769,9.838115077376322,10.45590593265563,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_6,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401031439017805,0.4764947563223784,1.2762980459494309,2.733639946832409,4.21127645692098,5.184502479531315,5.690629506714773,5.92571518440955,6.013640635885519,2.1965776032517983,0.3797200920908931,0.0199769758184378,8.095806460130866,1.834626046569007,5.404302261993622,0.1791170805173965,4.998923352509326,10.811596583197414,0.816668892756076,11.532274494557935,0.6932667179490071,32.1722057303787,4.998923352509326,10.811596583197414,0.816668892756076,11.532274494557935,0.6932667179490071,32.1722057303787,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0153,4.025345187755955,4.62236578888283,5.246734092214775,5.88216696099923,6.515213196275956,7.135721796731091,7.7366806104614225,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_7,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412151506629819,0.5015259609570956,1.4519709678398047,3.082817047960152,4.618264304914503,5.58913264387602,6.084674409002981,6.31297590320391,6.39807990986842,2.4989141839580986,0.3924252819480785,0.020237006153037,8.745078550041102,2.490462907189008,5.740897118298413,0.5203475344236578,6.014410681204598,12.970159380335325,0.929781992144241,13.248881974316136,0.9004174546654682,35.13883844276679,6.014410681204598,12.970159380335325,0.929781992144241,13.248881974316136,0.8950802377976913,35.13883844276679,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0153,3.8592200416250058,4.4368852888655015,5.045916678790978,5.670028309528043,6.29547898552226,6.911657105074286,7.511018516582149,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_8,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404645050352931,0.4785822084636389,1.2373041924046797,2.4716771796297783,3.662180436341479,4.4386735664540105,4.842366302489131,5.030006256323048,5.1002171092667945,2.0287906707419863,0.3812668272883068,0.0200724691622056,7.045065286541643,1.5503065619453624,4.645569059882568,0.1022985237493628,4.525208734402955,9.748771173817952,0.6801030089428207,9.688770308654313,0.6940967305946251,25.152805642781992,4.525208734402955,9.748771173817952,0.6801030089428207,9.688770308654313,0.6868350937608078,25.152805642781992,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0153,3.9575206565382457,4.54400135271274,5.161287713441338,5.792421516117208,6.4233488270640535,7.0433970905410925,7.645117700450191,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_9,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408427179329849,0.491714354218392,1.409984839685196,2.9986827371565905,4.492598267300119,5.434822322900383,5.915001130712507,6.136059254029368,6.218436848669128,2.4296718110584243,0.3868092471294388,0.0201698415789361,8.658225725138205,2.46028052472448,5.523157925758564,0.3434310047142238,4.765489241473461,10.33252805388627,0.7304852976292975,9.690329595284853,0.6037172355147883,27.875455405440604,4.765489241473461,10.33252805388627,0.7304852976292975,9.690329595284853,0.5796470871827577,27.875455405440604,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0153,3.986839891831641,4.571765734748997,5.184807904325191,5.810085179894332,6.434420906671429,7.047783803727794,7.643149874549511,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_10,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2054342447339388,0.5141935068629276,1.17361741088816,2.6876026143016767,4.488026660680197,5.769599627064166,6.45919812358814,6.784202283203313,6.906478882404445,2.0916282737279746,0.4369284587610956,0.0431916318673254,6.936632558582431,2.0178320105545504,4.106582699165485,0.2540325619230001,7.741108010149682,16.72564791741834,1.0604931764816723,13.860990871271706,1.0775554784605668,36.99244959627856,7.741108010149682,16.72564791741834,1.0604931764816723,13.860990871271706,1.0156395545128407,36.99244959627856,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0153,5.652794799620795,6.63061837852617,7.544647082515116,8.384401815357839,9.147248792538807,9.83530072252382,10.453268269883749,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_11,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401030699741964,0.4764903568826666,1.2761684917562817,2.733132080387864,4.210440297671027,5.183501484729824,5.68955852759422,5.924615195385679,6.012530351994847,2.196208954660554,0.3797184275740304,0.0199769757563626,8.09355702081406,1.833788559220185,5.402902013015771,0.178925201012933,4.998841175368637,10.8114174357729,0.8166540942148559,11.532073929087485,0.6932578963861882,32.17158071819673,4.998841175368637,10.8114174357729,0.8166540942148559,11.532073929087485,0.6932578963861882,32.17158071819673,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0153,4.02413094212939,4.621327824643815,5.24583190303969,5.881372150861698,6.514505612788932,7.13508697923855,7.736108088909743,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_12,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412149612947326,0.5015186014667045,1.451920038831762,3.082664622044902,4.618014817088044,5.588822754800408,6.084333790183484,6.312621118009583,6.397719840075349,2.498799027083043,0.3924209921149528,0.0202370060734184,8.744311092452927,2.4900805893854194,5.74032644272014,0.5201287096641045,6.01424494938572,12.969787290570975,0.9297836967025824,13.249258342627764,0.9004251879700624,35.13945927677227,6.01424494938572,12.969787290570975,0.9297836967025824,13.249258342627764,0.8951018118172892,35.13945927677227,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0153,3.859366459032293,4.436971572562634,5.045956552852856,5.670032919049778,6.295457391197096,6.911616740894668,7.510965564131669,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_13,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404226602550217,0.478498046861582,1.2371513660447715,2.471557757629163,3.662168529301777,4.438742997406053,4.842478270654731,5.030137789551719,5.100355913678566,2.028645067121345,0.3811951800048403,0.0200607131582029,7.045120456756146,1.5501741721658375,4.645710187760453,0.1022617684014123,4.527478107191087,9.75378711413216,0.6803172728040899,9.689470913625067,0.6941788145144715,25.15848950737769,4.527478107191087,9.75378711413216,0.6803172728040899,9.689470913625067,0.6868311975240283,25.15848950737769,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0153,3.9575030336868897,4.544005813865134,5.161310151408676,5.792458513814203,6.423397532123082,7.043455128834681,7.6451831062872895,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_14,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408507902686822,0.4917534073627536,1.4101736067025732,2.9990644201980774,4.493112789800688,5.435403146153939,5.915611153917722,6.136681733879769,6.21906381525859,2.4299920680960163,0.386833859792232,0.0201720849622818,8.659323852057593,2.4609940289844165,5.5236595858032,0.3436303590336663,4.765235615293328,10.331905139519035,0.7305083178328811,9.691978116927862,0.6038364958183573,27.87727143532888,4.765235615293328,10.331905139519035,0.7305083178328811,9.691978116927862,0.5798113423628486,27.87727143532888,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0153,3.9862379157478873,4.571211127821371,5.184285658448274,5.80958701215122,6.433942460544598,7.047322922918413,7.642705569167727,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_15,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1560528643414745,0.7915715943939735,1.903046693218948,3.429043743209904,4.908349536763397,5.891772239868789,6.408055616612466,6.649050125688615,6.739380680752021,2.8860516842320685,0.6095553397305936,0.0095882787059019,7.728689311467909,4.140042103550407,4.412381953501258,1.2584776489532,2.1578452921392057,4.487199211877989,0.1357062246333174,2.760217369402332,0.6291034403825135,12.053517793952135,1.055139740439407,2.0606383046738936,-0.0848348857066423,-0.1576884039438201,0.529021949246524,-10.883476998638608,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0153,6.874913711085495,7.620363707814047,8.36616449182835,9.106458986336351,9.835968084733304,10.549895917605191,11.244033600552289,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_16,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2142898851937776,0.9058866360247192,2.115819904066821,3.612994631491249,4.932313967365803,5.778207493343706,6.217135666197772,6.421197789514323,6.497573735084447,3.102559102791832,0.7087336892622367,0.0231938296318199,7.873368082513783,4.690805000364216,4.481142605916879,1.6060127116806728,2.0770334532856296,4.505560511492459,0.352303899993466,4.895464653233359,0.2637100742243563,17.43124526629747,-1.4460055466490311,-3.2470700058917585,-0.352303899993466,-4.264436746596759,0.0170973442289302,-17.43124526629747,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0153,10.366571772330165,11.056805541179257,11.726879055277385,12.373843171062552,12.995228341844737,13.589239583873558,14.15476378882697,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_17,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1555053592276745,0.7894635321707296,1.8728775717336448,3.3089243156260024,4.70504000811562,5.645772644299504,6.143960340049278,6.3774999718502325,6.465195779752701,2.799950716760096,0.60818054658415,0.0095251962605767,7.291450041929727,3.748001507041956,4.383227420963579,1.2137892327830069,1.3607379545352931,2.75489729716227,0.0398730929232575,1.679722697921353,0.5307663405370978,7.601151631141617,0.9620070253027184,1.8774691533776688,-0.0398730929232575,0.6430222819166586,0.5028551754908176,-7.601151631141617,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0153,6.915662530989229,7.66826302549563,8.41943151732166,9.163842108747362,9.896522026048997,10.61285127122534,11.308729828838985,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_18,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2148231263215228,0.9055593158086724,2.1215291054186527,3.618439384995522,4.904951390224924,5.7135886483033325,6.128890057018561,6.321065555859311,6.3928525110381855,3.1118328443650145,0.7086042170632233,0.0234238852555493,8.128654451963634,4.601721679656723,4.833057742416734,1.6144610521947615,1.6319381167179696,3.58213075357101,0.3176254066347828,4.1729413697962325,0.1306648244992784,14.512198716285504,-1.5443159496298595,-3.407381484638838,-0.3176254066347828,-4.085319202708122,-0.0916729601450693,-14.512198716285504,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0153,10.375906266439486,11.059642942606173,11.724799413145552,12.368206952514072,12.987150088333362,13.57959417011422,14.144212846267454,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_19,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1569477108725327,0.7970054496625393,1.940518890404277,3.532017734401669,5.063411472978657,6.0751035881535485,6.604715347710591,6.851636295755588,6.944144080600303,2.9664958904979777,0.6131686179139196,0.0096332847266461,7.974442065189983,4.377149923502519,4.440300629470466,1.3168315637625143,1.925900403271767,3.999463437574191,0.1520228204784261,3.1221394993129428,0.568818177618072,12.61012802256866,0.4161687604802602,0.6772204515660553,-0.1499235080798752,-0.8052620843435256,0.4621922720433187,-12.56184383740199,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0153,6.908501867097701,7.642147886541822,8.376840270273116,9.107099848735263,9.827834890501467,10.53429784697089,11.2222366120764,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_20,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161816267267273,0.9123415142779978,2.138650462441598,3.643446925918516,4.92319483676537,5.720692381098298,6.128436955789597,6.316730225728672,6.387007210131076,3.135726293946846,0.7138530184979238,0.0234016993389886,7.864641104341783,4.860272790352364,4.368063208346311,1.6514340238148686,2.434361603389037,5.353126353159521,0.4831740617846523,6.299754097666255,0.1773395476618982,21.83528925263823,-2.3973790144574862,-5.279370126923882,-0.4831740617846523,-6.262771508734704,-0.160882295587358,-21.83528925263823,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0153,10.512185032050349,11.162919297303786,11.799716344949037,12.41892269670437,13.017363812991578,13.592571791976964,14.142815823009508,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_21,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1572592382551243,0.7987108426785059,1.942430616144274,3.500677303704165,4.970701596875401,5.932230256826796,6.4334024511314665,6.666633786546998,6.753947708308855,2.951447204703809,0.6143164149122288,0.0096447101189352,8.10967185413391,4.195930290067216,4.677031910040796,1.3123220604753467,1.543256242882532,3.151404710709237,0.0713975836475492,2.114436912062926,0.5528785587435718,9.144232887363644,0.829280406407039,1.5802637558014183,-0.0713975836475492,0.258099737226645,0.5029002501902873,-9.144232887363644,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0153,6.917320546443304,7.649680005667484,8.381042124699157,9.10706688960249,9.823371554800945,10.525624482284398,11.20979504788511,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_22,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169334077704008,0.9134573415790936,2.1550312202192017,3.74527308673125,5.139508381310759,6.017130239521442,6.466989295003423,6.674867613310671,6.752468818078988,3.2009325726882816,0.71502186108951,0.0235265195305909,8.900447024128695,4.9493828129244255,5.11971293253821,1.6551218962437364,1.825899993934312,4.00381400644677,0.3514324337725876,4.637359464115013,0.1535896839771667,16.158148645123312,-1.688424343791565,-3.729639443584583,-0.3514324337725876,-4.499883813972266,-0.0924130196636443,-16.158148645123312,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0153,10.35531187666141,11.028742450580918,11.68579904564299,12.322659059086009,12.936231796400715,13.52427028175978,14.085320915724418,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_23,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1560417848524181,0.7915318966800556,1.9030331161258205,3.429276363531536,4.908893375461264,5.892516034375872,6.408898309469705,6.649937324521687,6.740284278867911,2.886179178389911,0.6095221703585857,0.0095874743729398,7.730566197677161,4.140552429585348,4.413470681112031,1.2584502032244966,2.158862623246045,4.48946652354691,0.1358307289028585,2.761016279121264,0.6291299923004111,12.057451168244446,1.0555512159793805,2.0615723996634365,-0.0848315525504743,-0.1585925561244484,0.5289485644331718,-10.884470112139612,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0153,6.874062564619674,7.61980544852225,8.365821924216068,9.106280331028726,9.835916465423852,10.549943734462282,11.244159432684215,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_24,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2142815142397258,0.905859048247127,2.1157843997005,3.612918338970005,4.932202329436826,5.778086879149347,6.21701534656835,6.421078751614661,6.497455360841217,3.102499538379996,0.7087092478823123,0.0231933899294851,7.87304024091199,4.69068214723534,4.480937945508875,1.605966507659181,2.077030557821751,4.505527156625258,0.3522771492356509,4.895247751706958,0.2637589434138339,17.430695773821775,-1.4457409345347574,-3.2465146964228424,-0.3522771492356509,-4.263958128419965,0.0171649389488785,-17.430695773821775,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0153,10.361908237791662,11.052917508669806,11.723586853169405,12.371017556686894,12.99277464337948,13.587087193336265,14.152859124320443,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_25,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1555525325300963,0.7895447688268443,1.8729285218954512,3.309007475158728,4.705229050523339,5.646053459918556,6.1442937602377965,6.377858783392015,6.465564232760076,2.800010494744153,0.6082610002144291,0.0095322226909105,7.291736778499507,3.748275634412054,4.383223658383026,1.213845347892789,1.3606592104950006,2.754716947625701,0.0398504875558883,1.6794631109421077,0.5307736845029847,7.6003058035927715,0.9621543349361168,1.877786246704848,-0.0398504875558883,0.6433504344890096,0.5028783432138627,-7.6003058035927715,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0153,6.918512447348939,7.670513857096994,8.421217096933866,9.165264838658471,9.89766077423822,10.613767027121424,11.309469882852158,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_26,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2148173101260828,0.9055504836719468,2.121549034194852,3.618436718379478,4.904900931460361,5.713510052228279,6.1287991757513485,6.320969590548375,6.392754749223093,3.111844747720897,0.7085926559672466,0.0234235740126296,8.128400745009857,4.601745756114069,4.832772450209149,1.614488161732214,1.6320396035910598,3.5823398865888114,0.3176319368066084,4.173095098043927,0.1306977420856307,14.512836754087466,-1.544279764475024,-3.4073160514477454,-0.3176319368066084,-4.085335258927891,-0.0916446136789948,-14.512836754087466,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0153,10.375971049730143,11.05956575510622,11.724640163138584,12.36800400224551,12.986927278272026,13.579365944411418,14.143987716535785,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_27,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1569524668609853,0.797012646865368,1.940541805669664,3.532094743047639,5.0635615433706525,6.075313429892831,6.604960018848681,6.851898004790682,6.9444123007901855,2.9665510831217503,0.613175821942345,0.0096338961824564,7.974669911757932,4.377237630644098,4.440389608555932,1.3168704423361697,1.92538733291934,3.998311329231789,0.1519151693140845,3.1209625335828086,0.5688230178507049,12.606001589330768,0.4166283523307088,0.6782087369795141,-0.1498366268036416,-0.8038893584580753,0.4622745450798015,-12.55819511159058,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0153,6.906137661901076,7.640389587318197,8.375554747783227,9.106184093998497,9.827208065445438,10.533896122165396,11.222009512872912,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_28,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216140864375559,0.912291903731857,2.138602718642588,3.6434379569633113,4.923289991736488,5.720878115360479,6.1286741562629325,6.316992088591698,6.387278403313484,3.1356942894552766,0.713802180547025,0.0233899512576145,7.864966138638271,4.860117058410197,4.368383820052888,1.6513619607322951,2.4342500035526853,5.352889592843491,0.4831602974347421,6.299532383030622,0.1773156938908031,21.83445596645827,-2.397352970794736,-5.279303995562676,-0.4831602974347421,-6.262635350272673,-0.1608965143135159,-21.83445596645827,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0153,10.510667994542668,11.161491510257324,11.798375200850703,12.417663243210958,13.016180202761566,13.59145808876682,14.14176639661207,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_29,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1572803046241944,0.7987264692775168,1.9423684551370528,3.5005451067732847,4.97056414383344,5.93210984848034,6.43329535225906,6.66653372108108,6.753850400274739,2.951330828822393,0.6143389134703159,0.0096486160140364,8.108985836546909,4.195634372832221,4.676667726150217,1.312227066822976,1.5431291446189763,3.1511051386662223,0.0713528763982581,2.1139521558050407,0.5529058261087105,9.142703251060045,0.8296003806363949,1.5809479900268255,-0.0713528763982581,0.2587773694503299,0.5029588126299298,-9.142703251060045,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0153,6.916167753892622,7.648689590004592,8.380154640432673,9.106244803562102,9.822591876118889,10.524873641197896,11.209065447452383,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_30,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169282378560091,0.9134328321991824,2.155037611840448,3.745317633334973,5.139584798266179,6.0172325692802655,6.467107145452202,6.674993162126189,6.752597325843283,3.200965643080365,0.7149986034774058,0.0235280418716958,8.900670995619285,4.949378740762336,5.1198850470191015,1.6551214802942158,1.826021366206941,4.004085834124933,0.3514613072910248,4.63771182453514,0.1535895567914172,16.159332976855204,-1.6885917067033067,-3.730002992693859,-0.3514613072910248,-4.500282165031505,-0.0924333583122998,-16.159332976855204,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0153,10.352810797827065,11.026598828423802,11.683925899854142,12.32099527863057,12.934733977832945,13.522907148196866,14.084069543181515,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_31,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2083447887235676,0.61298767596332,1.556207183808631,3.3278735391119985,5.208680697245648,6.476090696553469,7.14145047932996,7.451689999029341,7.567901689845844,2.663118641898725,0.4962979019212784,0.0431974816572105,8.056087312384467,3.9272454762920246,4.159968528864355,0.8308552236134978,14.382318728093184,32.07020074441608,1.41312469924034,6.628899659829525,1.368220940152533,41.64234364758168,10.28151459944213,23.28956689256984,0.8290419668992343,-6.628899659829525,-1.368220940152533,21.199448015642982,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,16.575094136363873,17.552616823314025,18.3621703885364,19.03697202095377,19.60336095115553,20.0820848913864,20.489482908586314,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_32,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0676082412554735,0.3656401385125841,1.258768555680606,2.960812046390868,4.701592673301136,5.851654231843648,6.450625505771488,6.72902658403089,6.833182962594897,2.330623679296879,0.2686901789710603,0.004646195168887,8.037513930299276,2.329856630801292,5.04295260264076,0.4290307142788867,6.518894757396661,14.238785096948426,0.6728293392265415,6.527964009459819,0.967657473273102,24.05998746538168,0.4351311342787405,1.3700317642545865,-0.0406451672560504,-6.527964009459819,-0.967657473273102,-0.9116202615090462,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,15.300806265371405,16.007288611765656,16.642952041680235,17.217016285884842,17.737186067820318,18.20988478649176,18.640492669396263,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_33,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0658743628987658,0.3753127173855588,1.2462905383383884,2.800928170833884,4.350833939797939,5.364479231554384,5.89017349650908,6.134079354148657,6.225264380446178,2.2323256564735363,0.2745421875224546,0.0042806262912042,7.814079709945566,2.357089247058907,4.854040530057962,0.3624618132793916,6.547458658276081,14.211962792336063,0.7757651735367423,9.255527012019984,1.0218027732327095,27.181562001212704,-2.0205664959172114,-4.051024105400684,-0.3642295224132087,-9.255527012019984,-1.0218027732327095,-12.718252357035585,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,14.573426494750636,15.34892842838441,16.04992417913731,16.684836759830375,17.26084028308681,17.7841423136518,18.26017272581036,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_34,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0673907788367045,0.3623097931328947,1.283714825147913,3.0520201832742724,4.8319567556492,5.990481858184423,6.588683768471952,6.865574382292275,6.968981996822928,2.3998635896399345,0.265631898530295,0.0046541134052987,8.310692826921997,2.473580504414413,5.212465260024653,0.4864636739549595,5.950133233007798,13.072335606101833,0.5419226801105752,3.896494587602593,0.8330767526949163,19.60339896916695,2.3180104080731287,5.486114115841842,0.2097267418058728,-3.896494587602593,-0.8330767526949163,7.976541128502366,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,15.095331038787869,15.84619595609569,16.515379564713864,17.11531205924578,17.655796465675603,18.14466715757499,18.588283190617428,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_35,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0656791229502521,0.3876149842905545,1.3214329972636083,2.956154381584838,4.572268523804442,5.628243167429835,6.176002670817618,6.430193470392853,6.525232191456903,2.361239692144457,0.2806670455449284,0.0042166945154094,7.726949222603105,2.3978858590730723,4.953026159208275,0.5075502091028293,6.888025593782142,15.036262834483718,0.705788259914542,6.89096214503667,1.0363972108855612,25.4771293066949,0.4151585013566687,1.3562650077168117,-0.0418624330837409,-6.89096214503667,-1.0363972108855612,-0.6906449482450076,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,14.42954125608765,15.2001257244903,15.900402996328763,16.537527825178206,17.11771314744227,17.646451686844806,18.128651516622515,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_36,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0682870989953494,0.3688600644401008,1.237716497370732,2.8541815805333863,4.497085566607939,5.577980686926812,6.1393895621355,6.399961229607723,6.497386181885421,2.257418592530887,0.2715073730981071,0.0047217531287878,7.681119079833191,2.232097876164701,4.793335339593366,0.3437581172931963,6.134092691562781,13.386137160236997,0.6606794292932007,6.7638217747174485,0.9089340239218192,23.27610631180477,-0.1090609429627438,0.1374847836229537,-0.1129492703295608,-6.7638217747174485,-0.9089340239218192,-3.8008981749918864,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,15.074950099348728,15.805832830505496,16.462094542202866,17.053608873719938,17.588649129904393,18.07411263629445,18.51576556411073,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_37,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0652750110817205,0.3761947550862506,1.2738875378087595,2.979343506197776,4.765117704299232,5.957856189770423,6.581223622407879,6.871286835346767,6.979847121013007,2.3424051661235663,0.2744523444408102,0.0041990487750249,8.530964530950328,2.499073445495297,5.316804366306712,0.3512213272772128,6.753719201519257,14.745458378915464,0.6871555301972752,6.644527828143539,1.016183973686939,24.86425708972829,0.5016680648916977,1.5397860050723895,-0.0275748696144609,-6.644527828143539,-1.016183973686939,-0.1513069036824633,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,14.409655426030744,15.196457908900758,15.910867264076218,16.559782224979024,17.149457791243826,17.685586708644223,18.173346015797577,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_38,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0673561242646557,0.40108593644604,1.3738071616192695,2.9989514850164567,4.547114195286239,5.539817726314053,6.050386517768341,6.286440140196837,6.3745633265022335,2.41656437283248,0.2888723492214151,0.0044459673525086,7.855661460200116,2.605607082881685,4.910758659184412,0.4630987230695015,6.05041049848893,13.19837572897675,0.6698331772562083,7.052669417937847,0.89194465214709,23.333053935843463,-0.41270797088796,-0.5441423910470925,-0.15731476565612,-7.052669417937847,-0.89194465214709,-5.617124066088024,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,14.066594823866884,14.880442271016236,15.616879676804768,16.28435906187733,16.890149384154753,17.440611384979245,17.941364653942863,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_39,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669597780781964,0.383559875719122,1.3477295508569516,3.1016113562343124,4.845249295190409,5.9849447528089215,6.576247421665933,6.850684932734112,6.95330133240104,2.4606946934778766,0.2782091315857405,0.0044699832629581,8.100672218395069,2.6341734176011893,5.04408091212956,0.5201195931743454,7.066688726922532,15.48650408533421,0.712223642568189,6.259085099654723,0.9960830576885076,25.001349238673857,1.3520548549535294,3.4099781564471043,0.0531166830569074,-6.259085099654723,-0.9960830576885076,1.9326056557790068,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,14.973071247026418,15.70445480392234,16.36331055462604,16.959291574045807,17.500151864862083,17.992242790862623,18.440869467937407,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_40,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2083394290485211,0.6129891207866898,1.556214410845232,3.3278490565366083,5.208594595184142,6.475953387160335,7.14128409871264,7.4515096399783,7.567716031489888,2.6631099949776327,0.4962963782948622,0.0431952721219337,8.055774280902957,3.927217284014188,4.159626504748616,0.8307303137844871,14.383189582387171,32.07218979175654,1.41318462753811,6.628368939201836,1.3682609795920582,41.643710446392575,10.28307798212958,23.293041667169625,0.8292033328725038,-6.628368939201836,-1.3682609795920582,21.20436513309636,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,16.558815175550453,17.538011030125165,18.34907635497097,19.02522045016199,19.592791136592165,20.072551394637934,20.48085736894297,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_41,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0676055184492588,0.3656554775754452,1.2590203119980268,2.9615341925893346,4.702602112437699,5.8527619020894335,6.451760845417734,6.730169919978894,6.834328539707468,2.3311927981529426,0.2686948855138165,0.0046457409003526,8.0402364617186,2.331411832072164,5.044225044531008,0.4293022366551625,6.519064868982424,14.239186995456532,0.6727881645841867,6.526766932931801,0.9676806515113142,24.059189767056168,0.4363040463076081,1.3726443799239627,-0.04048189955782,-6.526766932931801,-0.9676806515113142,-0.9052624779140634,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,15.22078867971175,15.937760790158546,16.582027950610716,17.163232730199066,17.68938961108481,18.167153960339032,18.60208280261749,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_42,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0658758094505396,0.3753171237835889,1.2462742076935118,2.8009200327693504,4.350861026493097,5.364534326475068,5.890244003690221,6.134157184518654,6.225344975265658,2.232309366023779,0.2745473772990804,0.0042807200352699,7.814493138578327,2.357313451795525,4.85411735153367,0.3625226379842718,6.548153900479681,14.213526670822,0.7758518402277041,9.256046864167317,1.021841065519763,27.18365847477381,-2.0201375076003907,-4.050064566721319,-0.3642139863295868,-9.256046864167317,-1.021841065519763,-12.71864545473136,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,14.58388132885811,15.358766692612797,16.05903422017365,16.693198791744503,17.268482017337615,17.79111385808018,18.26653267024641,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_43,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0674424908968394,0.3623719658663244,1.2837133842988993,3.0519836466642105,4.831902263927942,5.990418376437129,6.588616151200917,6.865504945720375,6.968911894911039,2.399836195471256,0.2657033279328741,0.0046614784725573,8.310636527509423,2.4734245515972075,5.212328406358976,0.4863118313152121,5.947744011196084,13.066958390442696,0.5416803262892808,3.895745418443903,0.8329153228065526,19.59713696875728,2.315768133948703,5.481095602036242,0.2095480505420635,-3.895745418443903,-0.8329153228065526,7.972507317604669,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,15.112542280555608,15.86166216709582,16.52933945098733,17.127964110918743,17.667306599729685,18.155174975961195,18.597906954944094,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_44,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0656764624270759,0.387586771105863,1.321436770355106,2.956361377827097,4.572719790998959,5.628863584848494,6.176713010685127,6.430945994286508,6.526000558559619,2.361364242034512,0.2806457753083939,0.0042166551569912,7.728047069500611,2.398203098572336,4.953640701824837,0.507521084867256,6.886932179744979,15.033853286404348,0.7056548799039025,6.889704126307344,1.036273533583092,25.47309551625084,0.4150840578264801,1.3560532145511592,-0.0418352219428607,-6.889704126307344,-1.036273533583092,-0.6890580483858775,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,14.50073751262869,15.263824084631343,15.957585743043095,16.589039845573204,17.16427910148104,17.688692033127047,18.16709728357121,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_45,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0682831358058754,0.3688387839513229,1.237772384308081,2.854495676006972,4.497606447145929,5.578602845325401,6.140055056752813,6.400644902497868,6.498076352045107,2.257640771237426,0.2714903801060218,0.0047213011167081,7.682057186831611,2.232601760994298,4.793775753174936,0.3437474142583269,6.133716756384215,13.385234988904074,0.6606332321713726,6.764111163783335,0.9089827150231694,23.275870302554,-0.1100242917147502,0.1353808347712411,-0.1130248262923303,-6.764111163783335,-0.9089827150231694,-3.8021617436756,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,15.017360244741266,15.7550101948734,16.416966036072225,17.013308537548156,17.552471909849007,18.04147991688809,18.48619896798681,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_46,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0652818428887386,0.3762062365849706,1.2739451102734167,2.979445907232787,4.765225996751374,5.957959202477659,6.581322466682248,6.871383533205279,6.979942989254326,2.342497604768548,0.2744614923136114,0.0042000994577473,8.531041633277733,2.499213984525165,5.31683383709908,0.3512947371104775,6.7552656937957005,14.748977997731448,0.6872696011914583,6.643848828755518,1.0162660221836215,24.86700557407028,0.5041825909443398,1.5453816372428275,-0.0273197571241817,-6.643848828755518,-1.0162660221836215,-0.1436219669771255,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,14.413158404894906,15.199654425000531,15.913716008497357,16.562283690819395,17.15163382263902,17.68746861459775,18.174967896325,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_47,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0673575846314484,0.4010647210292799,1.3737033466286304,2.998814269363728,4.54699704985605,5.539725263559972,6.050309009060543,6.286369962300314,6.374495946850324,2.416429584297428,0.2888623319010837,0.0044462033742125,7.855030140425637,2.605233264399241,4.91043175993978,0.4629935145937578,6.050000680555743,13.197461764371194,0.6697797094974851,7.0522418711109465,0.8919137868614362,23.331656043574814,-0.4128287582414548,-0.5444194085969747,-0.1573095347416408,-7.0522418711109465,-0.8919137868614362,-5.616467504794594,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,14.025156817035194,14.842503007241076,15.582217933808954,16.252714292226628,16.861250211835628,17.414192819910312,17.917177587789777,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0153_48,RSM0153.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669909325076721,0.3835956158568763,1.347699190539256,3.101506349971745,4.845071062120554,5.984715285902416,6.575990537752779,6.850415171369169,6.95302673428926,2.460615467858219,0.2782518653977056,0.0044743712041073,8.100134259187094,2.6339598085600784,5.043691680713168,0.5200953146806855,7.065038866527503,15.48287396784551,0.7120454340535323,6.257549980355671,0.995875561929354,24.995546468978542,1.3517112446020234,3.4091337838655185,0.0531136669582428,-6.257549980355671,-0.995875561929354,1.9329346206434144,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0153,14.962832310784885,15.695850168670807,16.356009026700193,16.953037573496697,17.494747567081557,17.987534109959448,18.436735444453777,[O-]C(=O)C=CC(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn]pcu.cat0,"linker [O-]C(=O)C=CC(=O)[O-], nodes [Zn][OH]([Zn][OH]([Zn])[Zn])[Zn], topology pcu"
RSM0181_0,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,64.0,157.25,6.0,3.0,1.2,196.0,0.0007250255546511,0.0976259801692683,0.8567688031389962,2.3453656099074807,3.776740849860528,4.696849974349384,5.171342891902454,5.391066840076728,5.473154197308083,1.807745287762452,0.045969763428033,1.1512907879256573e-07,4.484220640757024,1.4177285976635687,2.8845750157450767,0.2149995402849016,56.02396803963935,141.30044035267343,4.001978344360115,12.968118582920196,2.2330436180357074,130.01864390701135,-56.02396803963935,-141.30044035267343,-4.001978344360115,12.960205205479731,2.2330436180357074,-130.01864390701135,-56.0,-141.2506,-4.0,13.0,2.24,-120.0,-63.0,-156.24206,-5.0,-2.0,1.0000000000000002,-165.0,RSM0181,17.739272714711067,17.941176494774428,18.09996500692656,18.22693510853315,18.32996176619842,18.414653765688577,18.485084396255345,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_1,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,64.0,157.25,6.0,3.0,1.2,196.0,0.000739762117814,0.0979910485828683,0.857890949137758,2.348930852093914,3.782828554264341,4.704209753427069,5.179206364644413,5.399125244283936,5.4812790319134415,1.8103268368108936,0.0462203468672973,1.2406300064826538e-07,4.501798545817122,1.4243475635022314,2.89408200147257,0.2154408282265787,56.02473902996677,141.30254829379305,4.00253150733633,12.965134940687918,2.233737707920408,130.05351036370928,-56.02473902996677,-141.30254829379305,-4.00253150733633,12.955008911342594,2.233737707920408,-130.05351036370928,-56.0,-141.2506,-4.0,13.0,2.24,-120.0,-63.0,-156.24206,-5.0,-2.0,1.0000000000000002,-165.0,RSM0181,18.179496301611383,18.386515481487248,18.54937686061657,18.679637433820773,18.78535697208722,18.87227823599338,18.944573411044207,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_2,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412849868302436,0.4892171332886448,1.3924602901319392,3.0961476601548603,4.846944476962513,6.004726574440716,6.60721613322212,6.887051548493675,6.9917063679599645,2.464317894630135,0.3861886379827928,0.0203044698909149,9.331227987682766,2.5139934276641287,6.081602369423002,0.3531906257888313,3.642751025574849,7.900512159865292,0.6164747694106663,8.57454918086018,0.4651340137358082,24.939478730872395,3.642751025574849,7.900512159865292,0.6164747694106663,8.57454918086018,0.4651340137358082,24.939478730872395,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0181,3.255009279807392,3.906192493546396,4.580330518744385,5.260441118722171,5.933125429275623,6.588640034533338,7.220503372905143,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_3,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425128375231796,0.4968837788657506,1.4920182508100774,3.4183609882904404,5.390952421945807,6.692218472554438,7.368904689389487,7.683144963162581,7.800660833872653,2.704252487366129,0.3900880256321875,0.0206508960002961,10.77291002361115,2.9933629829503405,7.010209266886541,0.518332168338127,3.989197717588898,8.670452046404192,0.6931024707139327,9.534017483300362,0.4756258517384357,28.5711843620308,3.989197717588898,8.670452046404192,0.6931024707139327,9.534017483300362,0.4756258517384357,28.5711843620308,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0181,3.495563953000746,4.15607588682455,4.836248888547363,5.519383729331846,6.192485073520392,6.846247733783221,7.474612236784328,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_4,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140163802007468,0.4842323043009655,1.328899201918626,2.795752059922685,4.239868661712783,5.183688909933471,5.673812910243616,5.9014211599225,5.986549837372917,2.263108235765704,0.3831089094464682,0.0199958868626645,8.759339879327467,2.228162691327317,5.604554734428715,0.200002910005278,2.907383775234937,6.31384379318717,0.4999980223735694,6.907367954223493,0.3562894880291037,20.462942689975183,2.907383775234937,6.31384379318717,0.4999980223735694,6.907367954223493,0.3562894880291037,20.462942689975183,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0181,3.2751175469540854,3.92795765530316,4.606018989057606,5.291443903920146,5.97013608124875,6.6318583358665055,7.269813897327181,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_5,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1389702265523096,0.4751961758331517,1.2548225733537086,2.6105028239696293,3.976374377722202,4.880929944090315,5.353215349766345,5.57301052091379,5.655285459760167,2.1142784584097543,0.3781951192133417,0.019671191776662,8.110660033822167,1.8932724771265976,5.232872414653475,0.1271471540779695,5.136630500181078,11.341071631021643,0.7052420766186571,9.310899164249308,0.7068477583538745,25.572870420366307,5.136630500181078,11.341071631021643,0.7052420766186571,9.310899164249308,0.6777850266928639,25.572870420366307,63.0,156.24206,5.0,15.0,1.2399999999999998,165.0,0.0,0.0,0.0,0.0,-1.0000000000000002,0.0,RSM0181,3.3177853576875647,3.96750864214431,4.642364585875379,5.324735312942674,6.000680689837451,6.6600517966078,7.296090342539551,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_6,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400898658270745,0.4859864104732816,1.3629303912787685,2.942443374884281,4.53365103224128,5.584661205373724,6.132737188530082,6.387676321247602,6.483087792748315,2.3632585063294664,0.3837411810242995,0.0199726081541717,8.649771059863527,2.178832903774114,5.762369643030886,0.3567139393602506,4.643245980438885,10.043262907673784,0.7429896361128485,10.519775873530524,0.6613561423161393,28.87978062031339,4.643245980438885,10.043262907673784,0.7429896361128485,10.519775873530524,0.6600217423990867,28.87978062031339,63.0,156.24206,5.0,15.0,1.2399999999999998,165.0,0.0,0.0,0.0,0.0,-1.0000000000000002,0.0,RSM0181,3.116705249744685,3.7530600664289495,4.419295639868659,5.097223839684914,5.772165705477648,6.433223376454504,7.072961942080116,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_7,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416816951683473,0.4939757797197379,1.5315965687155475,3.691102985866935,5.96160665022655,7.465559570979334,8.247392076715538,8.610252989163376,8.745909580758825,2.8786672465801546,0.3878194732666761,0.020419090464534,13.005739508091263,3.58924625998605,8.440605978750012,0.5976283955324283,4.084386178224077,8.928191029479784,0.7589601021702971,10.15606699558645,0.3945016577404067,32.70527626080042,4.084386178224077,8.928191029479784,0.7589601021702971,10.15606699558645,0.3945016577404067,32.70527626080042,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0181,3.2611929255599685,3.9116523100043743,4.588017376240325,5.272355815808455,5.950454815111447,6.61194616857482,7.249906588403614,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_8,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1424756992640928,0.4916854457564179,1.39981347186739,3.106667691827296,4.851947998108747,6.002376274503774,6.6000794096445246,6.877489690756429,6.981206082121683,2.474778230049394,0.3882170693036717,0.0206441644347915,9.376439677729923,2.5421506991524425,6.097984771808099,0.3608995805813089,3.585437448962114,7.778044478787167,0.6085559814643642,8.45388530067703,0.4544771995424572,24.67173145769494,3.585437448962114,7.778044478787167,0.6085559814643642,8.45388530067703,0.4544771995424572,24.67173145769494,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0181,3.387915494218248,4.045429027802404,4.723934261068635,5.406649082269476,6.080434942846553,6.735813806406937,7.366546903660393,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_9,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1429031859606069,0.4951362314978959,1.48322208832811,3.419804244655827,5.410473292886937,6.723756317351847,7.406460665933981,7.723429054812959,7.84195377098615,2.7001628986992245,0.3895171512100025,0.0207663032641292,10.780314550253856,2.9778882082479647,7.0250927708694455,0.5161100834340981,4.072618177946819,8.851858808207787,0.7076873599863719,9.734117057837794,0.4854012892118869,29.175024309311937,4.072618177946819,8.851858808207787,0.7076873599863719,9.734117057837794,0.4854012892118869,29.175024309311937,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0181,3.4939800854628973,4.156672022114347,4.837599884487086,5.520330138755693,6.192133492521199,6.843936273648351,7.469865147273146,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_10,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.14019111139028,0.4811367713554788,1.298030775154656,2.710639823929956,4.104261071327389,5.015728651847828,5.489048194240523,5.708832162400496,5.791029869789497,2.197318062639864,0.3817576993849149,0.0200087761988936,8.417171752459145,2.0562462012386256,5.432866445619202,0.1701756511231698,3.0351781466363468,6.59377014892181,0.5243039467877225,7.229609720938126,0.3675843750261948,21.52538554195884,3.0351781466363468,6.59377014892181,0.5243039467877225,7.229609720938126,0.3675843750261948,21.52538554195884,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0181,3.321945507934068,3.978257170050135,4.659067562046076,5.34650261781625,6.026512597865421,6.688939433261673,7.327077522152416,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_11,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398876266033341,0.4777641356288362,1.2647541776274496,2.6406865017356416,4.032093480405884,4.954941323299304,5.437062837604806,5.661490783851214,5.7455082281500856,2.1362139235897537,0.3801377770310761,0.0199249351963935,8.1897568518172,1.9358459465693176,5.2688468898868415,0.1347691119259788,5.042891618946121,11.180768981607097,0.6839112001961316,8.85343741241986,0.671369748766611,24.79691695912129,5.042891618946121,11.180768981607097,0.6839112001961316,8.85343741241986,0.6384837327647237,24.79691695912129,63.0,156.24206,5.0,15.0,1.2399999999999998,165.0,0.0,0.0,0.0,0.0,-1.0000000000000002,0.0,RSM0181,3.3485657525917185,4.001596722230515,4.678736269816435,5.362449084919009,6.038922623561899,6.698148294665638,7.333502485691868,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_12,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400783146579043,0.4880564707096587,1.388188818997469,3.0136102282785147,4.642991580872744,5.715805840959769,6.274451881042405,6.534149683153287,6.631318245837022,2.4185219666505646,0.3845817835023808,0.0199685793622296,8.94852280257208,2.320834916384665,5.937814083496167,0.4038065986650928,4.736599715716807,10.24667458316791,0.7605448354142041,10.75701660349496,0.6705849891799041,29.637441221396525,4.736599715716807,10.24667458316791,0.7605448354142041,10.75701660349496,0.6693188150108846,29.637441221396525,63.0,156.24206,5.0,15.0,1.2399999999999998,165.0,0.0,0.0,0.0,0.0,-1.0000000000000002,0.0,RSM0181,3.1133370062163865,3.74898283768856,4.414925084636393,5.092912998600194,5.768201166888856,6.429828327811277,7.070302980355198,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_13,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415254669384159,0.4916268193644828,1.502632802680127,3.609638889839924,5.841039359818277,7.325664161339784,8.099078110699473,8.45836692862276,8.592739725628768,2.8149538017728784,0.3867581287770256,0.0203770562271516,12.52372248168505,3.3969669606967594,8.158832559748971,0.538129608254236,3.9774794857872777,8.692237142419987,0.7368996711381385,9.872676854892385,0.3882914877913288,31.695579550733296,3.9774794857872777,8.692237142419987,0.7368996711381385,9.872676854892385,0.3882914877913288,31.695579550733296,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0181,3.239500174780844,3.89213216683451,4.570454801544728,5.256463797341355,5.935918909246022,6.598456494557359,7.237177503595873,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_14,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1009965118611731,0.7278816258031855,2.171045530917146,3.984015604424712,5.440718199631957,6.311856283169842,6.748590805599136,6.948561368188567,7.022938822103084,3.3829160074650355,0.5237388187618458,0.0036317078506517,10.88600268644452,5.268837890650974,6.693865954324202,1.7154541941448758,0.3772081978441681,0.8010255480767137,0.0472743995753648,0.7554033944470867,0.0792181488368457,2.831528980728137,-0.09553579790948,-0.2392721972669685,-0.0472743995753648,-0.4737309945123987,0.0461260691340904,-2.831528980728137,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,7.835310986276846,8.555610153740352,9.274827244442491,9.988831099425092,10.692483979965091,11.380586965651853,12.048489561165182,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_15,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186101218293508,0.915214065812482,2.166149449045603,3.897636426331776,5.526293593576484,6.587039314763803,7.138398657964243,7.394624650795368,7.490487940710185,3.287391667517415,0.7182754626087298,0.0234877741449548,10.749816977578078,5.263642992742838,6.475638027858698,1.7048565976512624,1.6738199607374304,3.683327862240674,0.3347639921474861,4.35193189791732,0.11716739725162,15.064379646636873,-1.6738199607374304,-3.683327862240674,-0.3347639921474861,-4.35193189791732,-0.11716739725162,-15.064379646636873,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,8.854283051028792,9.628793945974204,10.375578930529311,11.09201936342536,11.776251458161004,12.427071815401604,13.04388232595694,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_16,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2193747018920445,0.9167762416369638,2.1750483190502123,3.9192448447794654,5.569650027483043,6.651990359788761,7.216929212347032,7.479999952672047,7.578509723150942,3.3038361337987285,0.719329131697408,0.0237984989994117,10.897383508480765,5.2568784094722885,6.632482296067391,1.714491662485593,1.5937787112747424,3.506049618224905,0.3176468175809381,4.134953251922247,0.1136437435530011,14.321829907992475,-1.5826894645346392,-3.483933778988781,-0.3176468175809381,-4.123864005182144,-0.1087090287536552,-14.321829907992475,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,9.243565433125475,10.010693479665708,10.752927708238408,11.466815352704032,12.149863147258822,12.800406985011437,13.417518923651611,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_17,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1563701425354519,0.7760865931498286,1.8013806022681238,3.096011032462767,4.287604543858337,5.066618716908023,5.473660470201921,5.663383323594768,5.734460647660735,2.646648967718866,0.6012892170868905,0.0096995120506838,6.348892344281747,3.438599377604868,3.8157241191631495,1.1653318564796955,1.6460749926267555,3.366249121471404,0.080891029113426,2.293203225534165,0.5808326921312327,9.848195545402303,0.8371647014924954,1.5861999624953247,-0.080891029113426,0.1900364685850872,0.5242089717518345,-9.848195545402303,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,6.285542202134515,7.079425170897994,7.871760454154554,8.655056486439847,9.423255152727275,10.171349581078305,10.89526365903134,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_18,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005959954418411,0.7301180016729584,2.270487416304476,4.461914410460695,6.394359425506199,7.596051850658089,8.206753848311608,8.48774141063901,8.59243887917878,3.704678017054395,0.5238163110836971,0.0035855225699008,13.86976489769046,6.79232887143069,7.829290145268934,1.8552529424478408,1.145931905571073,2.4851581498914395,0.1937603456957454,2.6960146711370365,0.1466390497996047,9.604866441770271,-0.7916715513863813,-1.7786390125232003,-0.1937603456957454,-2.341754316952345,0.011006807812583,-9.604866441770271,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,7.659019905787306,8.389144138707554,9.118162006777135,9.84163124822276,10.554230020690085,11.250664347380724,11.926249023967028,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_19,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168652825654617,0.9137746056948494,2.2307403176301808,4.153642259725337,5.975106231450344,7.155754498099074,7.767219504890719,8.050862129012518,8.15690001709504,3.4711513438344817,0.7154181745782376,0.0231307755584751,12.311876474528498,6.27713290129137,6.901270454371014,1.823781344933769,2.514869165598427,5.534098392102713,0.502971912679305,6.538644467032867,0.1760444424176029,22.63378408157823,-2.514849961194624,-5.534060091799987,-0.502971912679305,-6.538625262629064,-0.1760358964579102,-22.63378408157823,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,9.244080006320807,10.015573953759343,10.759913991003907,11.474465630582763,12.157290707290374,12.80709413586311,13.4231896763362,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_20,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2151696398001273,0.9089478945236972,2.2077535471067784,4.101215391600955,5.891561406608686,7.046701306552553,7.643027553334487,7.91919446550044,8.022364082614823,3.428922540871047,0.7117970955525489,0.022762308560062,11.994302432074116,6.139832410703347,6.770903921702794,1.7945463049153292,2.3458257830582228,5.148682394816963,0.4561398476976926,5.9949445646397646,0.188630259027735,20.851925869244965,-2.2155726939187046,-4.888912146491566,-0.4561398476976926,-5.864691475500247,-0.1306676343606495,-20.851925869244965,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,9.41086779041697,10.184809980644658,10.93202247202944,11.649542906256416,12.335217681044773,12.987621120561514,13.605998575162213,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_21,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1517598670712715,0.7734267960996717,1.897789761413213,3.4591696038296016,4.920035867677764,5.867831707593586,6.3599072959573295,6.588516116629784,6.674040471478989,2.9093949803603136,0.595313964967031,0.0090305658907385,8.24642014047717,4.384282541286734,4.44489856481729,1.271790003290636,2.1243761410176325,4.491228391358869,0.1252996059259538,2.737738012252825,0.6268912140988405,11.896749481289396,1.0683598165289492,2.167409556472648,-0.0859036589717828,-0.1162432855417222,0.5396739392876002,-10.714871072664268,58.0,145.2393,4.0,2.0,0.8900000000000001,120.0,-5.0,-11.00276,-1.0,-13.0,-1.35,-45.0,RSM0181,6.179007490974478,6.925180701237844,7.677631486702167,8.42862218107983,9.171279814982377,9.899558076215245,10.608325420559042,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_22,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1028837907916823,0.7342685623047251,2.1815619738464243,4.0115643673344925,5.490884061467016,6.375155666885576,6.81756020388303,7.019844663664988,7.095032500517578,3.402891836239377,0.5292685095796166,0.0037326532708411,11.067179967597934,5.336621552998955,6.787803773404519,1.7326088469883147,0.3558978070316405,0.7494609791256148,0.0384828349599544,0.6637604867112759,0.0862192085791654,2.5491457343572907,-0.0289305425679036,-0.0973738152423612,-0.0384828349599544,-0.336793222247539,0.0592812241071974,-2.5491457343572907,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,7.804779988633382,8.51733975703385,9.229121082218011,9.936377608233109,10.634221036788706,11.317580775805483,11.981839356851758,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_23,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217465960850996,0.9133470822207568,2.1496176285658395,3.8074577422037255,5.33819558745047,6.329330911097542,6.843598315358978,7.082444463854247,7.171786149909559,3.2284739685678616,0.716572915488008,0.0231591279239378,10.277862403628143,5.053678526482668,6.270366894864253,1.679318662453332,1.8389240162359584,4.032102920528715,0.3536772764071449,4.668342227493119,0.1551762939616048,16.26816560932269,-1.6978487478354902,-3.75074945899424,-0.3536772764071449,-4.52726695909265,-0.0923977995233963,-16.26816560932269,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,9.337970211710898,10.10138176451903,10.83866707151571,11.547120338946703,12.22473791390724,12.870150970423062,13.482592156622763,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_24,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186230645781419,0.914614597890258,2.175527414441745,3.983461783284088,5.761308853149774,6.950552868036995,7.576405943120436,7.868818083565286,7.978460002508281,3.335922410180659,0.717656504817513,0.0235749576840708,11.502719878250884,5.3730644287251,7.048582071994425,1.7152512380653095,1.6800367450539364,3.69700821940193,0.3360073490107872,4.368095537140235,0.1176025721537754,15.120330705485426,-1.6800367450539364,-3.69700821940193,-0.3360073490107872,-4.368095537140235,-0.1176025721537754,-15.120330705485426,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,9.404970703654262,10.1740409617691,10.917531247411508,11.632263022207203,12.315938007316214,12.967017458573864,13.584647680647391,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_25,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1527145550191954,0.776383784623735,1.864645858444108,3.2798084098024387,4.5616355034496765,5.386323942229381,5.813788868458156,6.0123300468007015,6.0866040841213,2.7897673406578485,0.5983283043449152,0.0090582366019377,7.072509916277079,3.803759920352828,4.012316249347208,1.2256341970248972,1.3862313322083224,2.816110483712656,0.028060510299097,1.540699999399339,0.549228328530481,7.270799097397733,1.1410770723574832,2.276635786889372,-0.0209703416710707,0.8838009600600856,0.5296745984289634,-7.058094038556945,58.0,145.2393,4.0,2.0,0.8900000000000001,120.0,-5.0,-11.00276,-1.0,-13.0,-1.35,-45.0,RSM0181,6.073631989205719,6.806665190741167,7.547274197822984,8.287886319677424,9.021691227822153,9.74261321418714,10.445425206933251,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_26,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.100844181599621,0.7271523409132845,2.1693631868747447,3.9815861338937215,5.437998640828607,6.3090599190716725,6.745774220623487,6.945738597827665,7.02011417511583,3.3806834465663904,0.5231819393369929,0.0036207999166228,10.876589252889138,5.262330414287229,6.691911816617726,1.7124090862237806,0.3604080223569409,0.7643013425400956,0.0441524361087967,0.7136275112273148,0.0775957522448448,2.68508883396064,-0.0811163387310264,-0.207295973300753,-0.0441524361087967,-0.4343358276014002,0.0466890469686871,-2.68508883396064,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,7.795155657671699,8.515186826243328,9.234717957359711,9.949360358585375,10.653814426234392,11.34277928499166,12.01154124024664,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_27,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2194825288507323,0.9159140750204352,2.1680425043721554,3.901175030942775,5.528594104275261,6.586914728218069,7.1365172310036575,7.391813450396935,7.48731058734263,3.290641838649833,0.7190311486992881,0.0238033627921315,10.7806809038691,5.272523103982043,6.493152844605552,1.7074328601906628,1.6968816535567868,3.7340744468772886,0.3393745173240912,4.411877792149516,0.118785115850099,15.271898614265757,-1.696863519684125,-3.7340382815883455,-0.3393745173240912,-4.411859658276854,-0.1187770462767646,-15.271898614265757,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,9.217156031819842,9.994404456441222,10.744242424921085,11.46379877036716,12.151044902195917,12.804677400700005,13.42404404424549,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_28,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2199230542040478,0.916934155265321,2.170507794040976,3.913935456566532,5.573181114394958,6.6645066407957225,7.234773551262497,7.500438851555884,7.599936390312418,3.297443499059251,0.719836087797816,0.0239276522855028,10.88266057410722,5.23909960485756,6.630996894562142,1.7071775350908889,1.5579744054862197,3.4257433712696232,0.3090145737560079,4.030090995534283,0.1138962846488526,13.970163502551255,-1.53217133207386,-3.374283011809684,-0.3090145737560079,-4.004287922121923,-0.1024139169803526,-13.970163502551255,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,8.865179410145211,9.631502080229904,10.3731234150637,11.086466076503108,11.768984635973604,12.41899896404199,13.03558109447105,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_29,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1571613714231889,0.7774686239025753,1.8019179828742125,3.0975793247989407,4.292136065745756,5.073515864430591,5.48184426555951,5.6721716642332405,5.743475840829168,2.6475117520931044,0.6026831768130955,0.0098087373704319,6.357577309854766,3.443877570478629,3.8210326847329408,1.1659499526249757,1.6623652659323802,3.4009487352920904,0.0830356322245647,2.3266503237288974,0.5840607329188505,9.972538974153196,0.8320089436867332,1.5737064696617873,-0.0830356322245647,0.1677238858902154,0.5259357903616552,-9.972538974153196,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,6.2766047224811885,7.065041069885935,7.852275404355315,8.630815425496635,9.394639867261688,10.138780879868968,10.859187202857123,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_30,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1007405843377133,0.7300413186300075,2.2616468572000428,4.431936007440734,6.347046278299524,7.540045501438568,8.147011642034398,8.426434774522068,8.530574029341302,3.6822154493264017,0.5240233307535974,0.0035986222160855,13.689825539591276,6.6853653838882,7.754488593194407,1.843010024853705,1.137887272332098,2.466522560244546,0.1912465239609962,2.667859464020069,0.1477726037609157,9.514366840880417,-0.7745779672778642,-1.7419566477096355,-0.1912465239609962,-2.304550158965834,0.0139000369882184,-9.514366840880417,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,7.752965903167629,8.477828902521908,9.2019216637769,9.920858767522551,10.62934625607755,11.322095330083762,11.99440925454638,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_31,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166310249054469,0.9115419669159704,2.210561842934896,4.096834869772764,5.884822127508987,7.044797948428743,7.645828294538819,7.924687369551618,8.028945771712618,3.4273836487681115,0.7141799392649069,0.023120748574041,12.039086175195536,6.099138252920268,6.797370432223805,1.795397424231204,2.514305107831792,5.532790349279541,0.5027943060447578,6.536659556189855,0.1761264491512265,22.62741166005412,-2.513637952615785,-5.531459808274498,-0.5027943060447578,-6.535992400973848,-0.1758295650801035,-22.62741166005412,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,9.378916336484632,10.150260725326223,10.894907956557118,11.609996480739206,12.293440521164154,12.94385085090178,13.560484436669103,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_32,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165728066665166,0.9119098383060747,2.2144385162844875,4.118806950016658,5.925243544014763,7.093184756183698,7.6967255493843805,7.976357495854078,8.080840554223393,3.4418757464385914,0.7144051717105934,0.0230571059899967,12.055234890550604,6.184730711561133,6.790093212077185,1.8039130609237573,2.354313301041316,5.16645418087784,0.4569591458337869,6.009986467711612,0.1908710205250348,20.910749421882315,-2.2152781572965536,-4.889169441950474,-0.4569591458337869,-5.870951323966849,-0.1290003815586156,-20.910749421882315,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,9.312448716572762,10.082452918560884,10.826276282069134,11.540901821100894,12.224136854453343,12.874522538135892,13.491270858414357,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_33,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1519214586949336,0.7737223335458493,1.897292774909503,3.4517740276701554,4.904027726253465,5.846618987658114,6.33626341123839,6.563816348570079,6.648958254700031,2.9049757628201767,0.5955671676142291,0.0090591285345464,8.166547758906923,4.362655167880426,4.397916718429438,1.2673101344396618,1.9888664135746552,4.1551402028348905,0.1108895778308444,2.6452323540936646,0.6275892213181848,11.431899946870711,0.9968064236853228,1.972060607963941,-0.087522420147022,0.0016166967508888,0.5502586063076416,-10.73088521635604,58.0,145.2393,4.0,2.0,0.8900000000000001,120.0,-5.0,-11.00276,-1.0,-13.0,-1.35,-45.0,RSM0181,6.524792736133466,7.263710702317184,8.009846091555994,8.755357348698357,9.493284112802522,10.217498745497428,10.922792102755476,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_34,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1028277535317207,0.7340173508767789,2.1825580490000096,4.0189570461205735,5.50699144146635,6.397111543260162,6.84244599666741,7.0460526362339255,7.1217278864975375,3.407503762629552,0.5290359753218036,0.0037303286988012,11.120477026823806,5.353737409008959,6.814744244803554,1.7334937652318314,0.3599451945165303,0.7550359747147032,0.0360610236861533,0.6484333840057567,0.0925611921483185,2.5209464463057176,-0.0006650423450026,-0.0385056032314169,-0.0360610236861533,-0.2891532318342289,0.0673184755680112,-2.5209464463057176,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,7.841967933015774,8.554898473192049,9.266945604002238,9.974399584145017,10.672389170459828,11.355852808846604,12.020179081344189,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_35,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173653249543051,0.9129760380445828,2.152066366480899,3.827542168897952,5.382885681158237,6.391408285557991,6.914822654426701,7.157920528202029,7.248851660833144,3.240851632977855,0.7162607759556049,0.0231484201591194,10.44138348577708,5.084492551782259,6.382533385708997,1.6807652674198987,1.813434182945116,3.973443122288716,0.3460884564961781,4.582141834914541,0.1580623554802422,15.988940044649144,-1.6474503820166666,-3.6424133289070633,-0.3460884564961781,-4.416158033986092,-0.0841995640670822,-15.988940044649144,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,9.502842148642864,10.26782030978883,11.006320743347532,11.715693773298687,12.393989416948688,13.039884825573756,13.65265065564713,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_36,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2185645839962924,0.9145570406025456,2.174026907314289,3.9662039795774833,5.714669666427682,6.880029712844042,7.492476191859271,7.7784742973558,7.885689614777113,3.3263792103031062,0.7176129737529598,0.0235401146601188,11.303859862723993,5.354504176359309,6.898537640312019,1.715020103204416,1.69949087678694,3.739818047895256,0.339898175357388,4.418676279646044,0.1189643613750856,15.295417891082458,-1.69949087678694,-3.739818047895256,-0.339898175357388,-4.418676279646044,-0.1189643613750856,-15.295417891082458,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0181,9.22529538607552,9.99564101758865,10.73996314206586,11.455228349557672,12.13923444202034,12.790508256532418,13.408241558587555,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_37,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1532292586994731,0.7773999981451151,1.866728609105039,3.2864720257237137,4.573329842963276,5.400719100968128,5.829302808478836,6.028289579216681,6.1027177573332905,2.794559737811945,0.5992786248973924,0.0091292295112635,7.1089708589134215,3.8255161597012455,4.026036133600403,1.2284576933583309,1.4169272940867852,2.882219182590293,0.031743114014614,1.5974617820156152,0.5552542970376755,7.487187281776579,1.136665988972585,2.26548960709863,-0.0243091470082259,0.848338979451128,0.5331270418150253,-7.264168271584936,58.0,145.2393,4.0,2.0,0.8900000000000001,120.0,-5.0,-11.00276,-1.0,-13.0,-1.35,-45.0,RSM0181,6.410267340739187,7.149055520694878,7.893526546916719,8.636551855017068,9.371709574260429,10.093245672799334,10.796186244281634,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_38,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0667097028892194,0.349986041515365,1.1080673675969737,2.421401928442971,3.760202425122473,4.660885906773536,5.135633454838223,5.357590571580737,5.440837539250828,1.940223679837085,0.2597079306541063,0.0045747857563673,5.57864153509506,1.4436140527885544,3.730874646521495,0.297215941460196,8.321552496205673,20.21110739999784,0.6177877174832894,4.48517676127854,0.7679345696321629,24.05040753144147,4.787939199485876,12.855384880563744,0.3186045464946784,-4.48517676127854,-0.7679345696321629,13.57899654684008,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0181,15.140558379611456,15.813450419237672,16.41648521140772,16.960481405057294,17.45372306614526,17.902672629661964,18.31249004583048,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_39,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0659978592874727,0.3456960389288093,1.0845271238751593,2.347990412837944,3.606487854322903,4.436665912191417,4.86943192039374,5.070697321396308,5.146014772904055,1.8881464107436028,0.2569871579947457,0.0044807555519833,5.421326625410542,1.4161937894845231,3.6291421476813865,0.2795181085594229,7.05556988420799,16.885215537451995,0.6028963965508469,5.416204292789216,0.701280413941426,22.352775893388845,2.5951516831048287,7.457109673545788,0.0864408582572114,-5.416204292789216,-0.701280413941426,4.2768320531116055,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0181,14.720823128650006,15.484893057855707,16.1645177270439,16.77314173130792,17.32116520262898,17.816756525263482,18.266456745946936,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_40,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.06386170265545,0.3426007820169438,1.1282458651970353,2.5146810201685765,3.908788065004509,4.8327291216315285,5.315540101390161,5.540336068645019,5.624499872378923,2.0078480966650045,0.2527522383476141,0.0042051402996151,6.479860754025265,1.792282889102444,4.03271030274626,0.1769602892486628,8.337223533528421,19.861787545818984,0.7143648768784661,6.688823402465909,0.8802945331043586,26.959479375461623,2.658666391299673,7.873499050893931,0.0710558320378264,-6.688823402465909,-0.8802945331043586,4.443662806039235,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0181,14.29314560552288,15.092719401228292,15.810784845471934,16.45756316219665,17.041692680002424,17.57049011387005,18.05019061364568,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_41,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0634226918128978,0.3382970151060524,1.08368754996524,2.333112664878124,3.543341080670842,4.334606870004746,4.7465423188418185,4.938138577415136,5.009849667194198,1.883876312000752,0.2504987403497874,0.0041483002197467,5.9129291766789045,1.5685580275337434,3.673650292542556,0.1241051220147661,5.749346734347481,13.482403655590408,0.5723299975890374,6.124124295562686,0.6344787975989719,20.33900883274321,0.5284211454348469,2.3522120529806902,-0.123918006176014,-6.124124295562686,-0.6344787975989719,-4.029671299033585,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0181,10.81028219055488,11.477670555694054,12.0828041781254,12.632627011918885,13.13309925972752,13.589343798528438,14.00579974360103,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_42,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0638120581079625,0.3479427541152762,1.176884657648502,2.686452961995926,4.25901323019402,5.3275856876939205,5.8932743341632845,6.158234914945574,6.2576843917310425,2.128069828483353,0.2552765451575617,0.0041921421095423,6.895334324582251,1.9651749121270867,4.363909434809137,0.2322378740608887,10.388477459528175,24.98016232494654,0.8511559682464936,7.221433172120215,1.007753521471768,31.98980323088105,4.509451976985821,12.59736395479031,0.2129818486473633,-7.221433172120215,-1.007753521471768,9.653709044911492,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0181,14.78181609559794,15.53429490996647,16.212367999967597,16.824728729072543,17.37892553283176,17.881471261438985,18.33799079073807,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_43,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0632221350123168,0.337219469593082,1.0481115840124764,2.207221468034812,3.3505423656356643,4.114173159462822,4.5164960724300185,4.704666172072792,4.775259693352462,1.7896111012914524,0.2501434360745811,0.0041199641910085,5.182072458848733,1.2254616145987256,3.3695775163006263,0.0993660188562363,7.578032773362845,18.16211795422385,0.629699732476474,5.542038650892251,0.7598425685391225,23.742979902249456,2.985197920178853,8.48185835651153,0.1248167456336473,-5.542038650892251,-0.7598425685391225,6.072075362750517,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0181,9.172109233803852,9.856345409627892,10.47812947205633,11.0434697042682,11.557929611413112,12.02653109259214,12.45376723190261,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_44,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671098528141878,0.350458448665812,1.1052384882884885,2.4135809829518204,3.744029148748521,4.636559584235702,5.106233002557593,5.325644844836066,5.407909684874146,1.934406150170243,0.2603808023208852,0.0046279772800934,5.553487621734318,1.4446708401247204,3.711277791953049,0.2992064582835662,7.974072449817087,19.35985267101559,0.5874338254514764,4.269122540807273,0.7459691056924688,23.06152122384219,4.576528849031206,12.296932397254071,0.3090376958948305,-4.269122540807273,-0.7459691056924688,13.317656689359582,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0181,15.355781661107882,16.015765073669805,16.608339382780926,17.143767648827254,17.629945724737027,18.07305031575162,18.478022102103854,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_45,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664183586040333,0.3471676032793432,1.0892868150860202,2.353571191419141,3.609859236514392,4.438162239912752,4.8699500991275455,5.070770426563303,5.145923509688376,1.893991751120904,0.2580764389288775,0.0045373798979532,5.42376975682405,1.422380422485941,3.6253662884207913,0.2807029327899463,6.839540032970194,16.350586336773553,0.5875501348010506,5.336713555883228,0.6864055546875033,21.791245053860223,2.423946449902892,7.015003373899889,0.0741274711184554,-5.336713555883228,-0.6864055546875033,3.821451824969397,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0181,15.29805135362615,15.967653958020946,16.56800527677087,17.109786568755933,17.601148201778607,18.04844315503925,18.456751079850665,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_46,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0639328008030405,0.3422989704526062,1.1255845659549883,2.506092581118877,3.8942169805462976,4.814915738508813,5.296323357944526,5.520537145244036,5.604494733026774,2.001559726955854,0.2526499955378836,0.0042153640719188,6.427956619193801,1.772572236002946,4.003484696031348,0.1749947434569081,8.69719287807398,20.863505499216604,0.7478800970020848,6.582157533958658,0.8289250421492946,27.2898121501059,3.3959341279898068,9.639377455831848,0.1159146891453283,-6.582157533958658,-0.8289250421492946,5.171022875119417,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0181,14.655493458277151,15.323449724131502,15.930112680548362,16.481953195604454,16.984662269846368,17.44321315447032,17.86196331703812,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_47,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0635937767838088,0.3390794134782979,1.093810756175999,2.364957654961416,3.5950439461240267,4.39792898682083,4.815476114469465,5.009583270672812,5.082218255750017,1.9078555767560808,0.2509167969789851,0.0041716851135414,5.994840547941601,1.6185662929072562,3.7122104255312336,0.1295227998705169,4.81834913869973,11.237921594387174,0.4879860042746879,5.40502720787906,0.5577883117866618,17.457325763462308,0.1353510757274095,1.2569556825407244,-0.1341502746727493,-5.40502720787906,-0.5577883117866618,-4.317443999697999,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0181,14.753305802099492,15.518427802935364,16.207238683312948,16.828747498545983,17.390754225650483,17.899978808426567,18.36221934662487,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_48,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0638158228901766,0.3472087020690486,1.1690416178945375,2.6540078483126246,4.197583107076758,5.247545509276039,5.803960580733367,6.064725565879029,6.162625003302673,2.1056442273662994,0.2549112839058654,0.004193875552328,6.7711517219286055,1.932738150525048,4.2776250371821005,0.2216168525644548,10.333930807641032,24.87485748546376,0.8437964970525328,7.075384935611087,0.9906758049004384,31.651818341304747,4.612719846044612,12.825559886384273,0.2238214067821561,-7.075384935611087,-0.9906758049004384,9.952690181841565,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0181,13.4280702673882,14.125862420488051,14.757956416271314,15.33138895937912,15.852423489779133,16.326555657359126,16.758596002172794,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0181_49,RSM0181.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637742345126969,0.3386422484138874,1.0524995445791323,2.221341201969111,3.3790068557064865,4.153866422271103,4.562465928381134,4.75364015262815,4.825370836572134,1.799551791852802,0.2513331085861894,0.0041920282882202,5.234950248977027,1.2404674791272148,3.40109190090084,0.1020291569644111,7.60640664750342,18.23869209267432,0.6297643589172879,5.512209741226542,0.7604628813797942,23.767409682286736,3.04451227373525,8.626463053331303,0.1310155640283313,-5.512209741226542,-0.7604628813797942,6.311201861173254,56.0,141.2506,4.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.24,-35.0,RSM0181,14.39293237138098,15.199949158058583,15.924898173494098,16.5777225918903,17.16699065066518,17.700057277101156,18.183245778664435,"[Gd].[O-]C(=O)c1ccc(cc1)C(=O)[O-]pcu,dia.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Gd], topology pcu,dia"
RSM0085_0,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0096540762915125,0.25380067498629,1.1938942028561643,2.9507713927302266,4.912726070500827,6.30522395463394,7.057569035976819,7.413113802647239,7.547051498277373,2.285781230996378,0.1534488096659101,2.5995040091392484e-05,7.665880610167875,2.531478011943101,4.831279517814181,0.4592582174295944,16.71137914310799,38.22207845813336,1.9440433938053512,8.561184976361574,1.75644633129934,70.02253239508279,-16.71137914310799,-38.22207845813336,-1.9440433938053512,8.561184976361574,1.75644633129934,-70.02253239508279,0.0,0.0,0.0,9.0,1.89,0.0,-19.0,-42.927345,-2.0,0.0,0.0,-73.0,RSM0085,18.659779499446586,19.24057562864694,19.71617976385733,20.10922199451981,20.43690413672477,20.71238479833067,20.94580595116692,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_1,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0096462953124831,0.2539289683980473,1.20023060160188,2.9755434203180173,4.955126704859329,6.358309128127657,7.116024780130536,7.474035752066623,7.608892331520091,2.303687042908799,0.1534450824438556,2.5961515947361577e-05,7.838535030231978,2.569367915685483,4.928704269086749,0.4623481169543328,16.734337351866415,38.26970137277544,1.944772007599304,8.54769874692453,1.7496188985116887,69.9653018410129,-16.734337351866415,-38.26970137277544,-1.944772007599304,8.54769874692453,1.7496188985116887,-69.9653018410129,0.0,0.0,0.0,9.0,1.89,0.0,-19.0,-42.927345,-2.0,0.0,0.0,-73.0,RSM0085,18.61187220313772,19.19899594851277,19.679847818632663,20.07727088120088,20.40863429737398,20.687228640944863,20.92330030692807,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_2,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1464528979804827,0.5212279337860185,1.6417559002477076,3.834734177913177,6.107405492181414,7.623430368396661,8.417064241306543,8.78681845184302,8.925289219821526,3.0191454714149395,0.404795999354565,0.0217469117174411,13.206522511990448,4.153360773306787,7.85626143310823,0.5389756830893365,7.923893215624479,16.86120722068894,1.2417969942430456,13.989517261680112,0.5930173794747987,49.4824964670782,7.923893215624479,16.86120722068894,1.2417969942430456,13.989517261680112,0.5930173794747987,49.4824964670782,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,5.0,11.00276,1.0,13.0,0.3499999999999996,35.0,RSM0085,2.2272575469160043,2.8601796431250306,3.540529225182033,4.245743146508672,4.956883134392923,5.659386162324843,6.342909181828289,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_3,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.145816360705399,0.5265165624505644,1.6672995917887667,3.848021280563061,6.091251115224975,7.588101655460713,8.372563255849895,8.738288575561528,8.875292520879285,3.040835746155285,0.4070577208264386,0.0215403639314479,13.101144004857456,4.197081396368746,7.832488910040855,0.6088397618670804,7.795867467326627,16.60456944406427,1.2299579838982977,13.956203596140243,0.5884326246430827,49.18734339133237,7.795867467326627,16.60456944406427,1.2299579838982977,13.956203596140243,0.5884326246430827,49.18734339133237,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,5.0,11.00276,1.0,13.0,0.3499999999999996,35.0,RSM0085,2.2478408496105646,2.8847486723505003,3.568413485705998,4.276226517528191,4.989303703115746,5.693194139345226,6.37769156751641,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_4,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1474102005537483,0.4971634375952252,1.443964347866259,3.344043085856141,5.400009475398699,6.810331602766008,7.559023344437373,7.910056971433103,8.041864280904015,2.626712142916149,0.3938240196434904,0.0220989890688368,10.249971233069196,2.9299088045447745,6.481564985842635,0.5553026702356818,8.431002684095429,17.87503517832714,1.264381770416526,14.315945279893148,0.7180917500033853,48.73114826541784,8.431002684095429,17.87503517832714,1.264381770416526,14.315945279893148,0.7180917500033853,48.73114826541784,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0085,4.674362670069299,5.426995260519455,6.1691320703325045,6.887417665875288,7.573208641211092,8.221615039341406,8.83058977667801,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_5,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1427608703609523,0.4736908295642366,1.3161150414830434,3.215558051076344,5.440962022066266,7.011628840321787,7.853517660493647,8.249643229431662,8.398579292649387,2.471968695016922,0.379701399991893,0.0207784091681181,10.836015278181144,2.703712495924528,6.790277690634889,0.2417244697676804,7.584327664719797,16.17253199231081,1.1670107368211144,14.194106250198386,0.7621408991741047,45.30266111524235,7.584327664719797,16.17253199231081,1.1670107368211144,14.194106250198386,0.7621408991741047,45.30266111524235,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0085,3.88583561486347,4.644108989994821,5.405785818493346,6.153077378165632,6.873755681790126,7.560270115258882,8.208713558807187,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_6,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1400147120169306,0.7811162138014,2.0584463331855143,4.033263006885769,6.0488983023349645,7.410851372094333,8.129595696163893,8.465719855452335,8.591794099353692,3.3122722099203634,0.5904378466840209,0.0073041416257707,12.020117878788843,5.488931358732266,6.9397399220794345,1.5161247180564683,1.9521431509892115,4.028160995587735,0.1737215007308921,2.564181602938305,0.4336017825176544,11.242203537700163,0.7010116148665678,1.274980991509978,-0.0765048064936367,-0.6887603909805691,0.3460225749890693,-8.422919404819758,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0085,6.9114984136147,7.728058445224651,8.536740702257603,9.331843109353269,10.108189102723118,10.861175995287589,11.58694477584914,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_7,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1402900446325131,0.7852334488562434,2.069839682614562,4.079845423612395,6.175889054573568,7.6109824385242915,8.373002385967721,8.730322824586077,8.86449465296017,3.3405514460945582,0.5932173908539435,0.0072771093881378,12.326750196570911,5.643709668066812,7.093431771383601,1.5452308189227637,1.9229638034214367,3.900097002663562,0.1313221516231317,1.7413013995249709,0.4273860409156972,9.083648031310924,1.379892047741069,2.705039364557618,0.0227078004870582,0.3293148347560151,0.3893710180180716,-4.616779420115414,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0085,6.682781429018607,7.511462842510184,8.332830361342793,9.14052838672536,9.929030534321148,10.693559376255026,11.430179525501282,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_8,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1405963137907458,0.7996705540751498,2.1428774240325743,4.114168053041052,6.025991432746771,7.293226339921848,7.957929497615687,8.268140547273704,8.384409429249395,3.4105113828760727,0.6015817120593709,0.007018090771273,11.58925043348184,5.871302410805209,6.52863605401657,1.6274115941004976,1.5680216283882111,3.25114860003212,0.0581258103422993,1.4337225930068764,0.5206625732951546,7.461553016479168,1.414838895050739,2.9140620298208777,0.0274892636748048,0.7357947272695837,0.4671322449529795,-4.764678184940386,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0085,6.629907435955809,7.447248259753587,8.256767102735614,9.052951177672396,9.830868826553596,10.586111702864889,11.3149302290429,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_9,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1400497363902009,0.796618641018617,2.1640025293279224,4.289230774619162,6.436593132212427,7.881212443810482,8.642464206760234,8.998281998635528,9.131717438233297,3.5163724191502808,0.5988422896787554,0.0070705099968033,13.20991106930524,6.480193906788331,7.299709059320307,1.6529422608029565,2.163286772452493,4.610920633969971,0.1242232795559646,1.5739401185229345,0.5316561818677554,9.229986306697333,2.051863184305186,4.365727234225238,0.1019385619265033,0.4926723441512986,0.4107756099562099,-2.105888299999592,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0085,6.674915439327313,7.51112233429245,8.334708905348979,9.14090902995784,9.925570135355914,10.6849847641722,11.415990961451952,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_10,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1403971919654764,0.7822099662923852,2.062357077920611,4.042924163868533,6.066178333974448,7.435107595573467,8.1581766939292,8.496474769333156,8.623389027374577,3.319771540740852,0.5913428490856223,0.0073425961946727,12.087767668316287,5.499592962286069,6.9926390836801104,1.5202829695414208,1.8737163000189736,3.868018004265237,0.16424682536106,2.5147521947287386,0.4333813685334624,10.92911256760811,0.65183473902007,1.1792040914459778,-0.0801294868387206,-0.6621398638684106,0.3478496592635391,-8.489709750460266,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0085,6.950126073783637,7.764600452527699,8.56998083424668,9.36110640809332,10.133212988519931,10.88198761584227,11.603758809726124,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_11,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1405503510431403,0.785702353319372,2.0781531351907754,4.109826035153127,6.216280740613403,7.650680614286727,8.410169939764334,8.765844557082115,8.899326887027355,3.363377327400745,0.5935869734966054,0.0073174271647298,12.469641548472312,5.74379688670914,7.135251051657862,1.5585162733059572,2.014668657532676,4.073621826593655,0.1355021065643736,1.6287631456395055,0.4223749741305576,9.016709360154945,1.578349069644039,3.1134778848261404,0.0482381889866462,0.4943322171290501,0.3918326029783531,-3.688240789175366,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0085,6.663754251024505,7.494864066225737,8.317838572242993,9.1265097183276,9.915529682198086,10.680273309654275,11.416925084652046,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_12,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1406723384904241,0.7994544795806439,2.142940459484449,4.119255184601287,6.03729634930481,7.308445736342735,7.975059961195533,8.286124901436914,8.402707386567727,3.4134597899713164,0.6015152095683636,0.0070283478346566,11.63380283013706,5.879682271723371,6.555096928786458,1.6274446109552911,1.6206465575364946,3.372438402195952,0.0639143525476224,1.4351306131442492,0.5207389367019947,7.58966930064663,1.4792392926125737,3.061264362553088,0.0356328995628382,0.7190563419554419,0.4610668021020898,-4.453930859167115,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0085,6.6368806449228535,7.454121143686926,8.26343285258483,9.059343439233809,9.83695152255219,10.591870204010126,11.320364270822433,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_13,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1403107939274581,0.7971418199451539,2.1668105533173976,4.298146580025287,6.450124567600912,7.89737765111736,8.659989307593799,9.016448057372196,9.150125491078446,3.5232200659901665,0.5993430103975891,0.0070897296558341,13.265928470652575,6.500354095649874,7.32693123268688,1.6563405441431855,2.3257761979754914,4.983925023618438,0.1437014462219179,1.6204994246476063,0.5317551930474468,9.733197032050372,2.213681980830047,4.737255869890595,0.121282602792829,0.4016102885178364,0.3914165733398922,-1.3861994880858428,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0085,6.684933056602042,7.517874381525395,8.338280109661868,9.141558639074946,9.923644779245372,10.680861467621796,11.410041663317044,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_14,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0972645942639615,0.6498929178735431,2.03462628312615,4.1467525871782005,6.173195932683335,7.504333262553121,8.19956867200851,8.523428834464895,8.644722360944701,3.394465076722936,0.4684260610284135,0.0046017505130209,12.495733981618637,5.909929725417388,6.941852190746209,1.247242640231668,3.3838946431418453,6.845894554494316,0.3240656466991456,1.8439762601389376,0.2621412263356034,12.811399535914704,2.726015399022934,5.398197068089958,0.1924897978753634,0.1334902254297691,0.2160896792472797,2.16870835674606,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0085,8.612036201297869,9.587963631753992,10.53021698179992,11.42985294297321,12.281271526888244,13.081513448674883,13.829628615923989,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_15,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2048889385684065,0.8949213933901119,2.3407451232023586,4.474081578318383,6.506203316450797,7.838970520632404,8.534766744759313,8.858839880692017,8.98020617678884,3.717325588553941,0.6896173009471376,0.0235778883602699,13.283004174146296,7.116017099979163,7.105776732270325,1.881501633998249,1.7889165313255075,3.8140425444489146,0.2917167354482414,3.1754719167694145,0.0992343288778058,12.351772464103426,-0.5362642618181404,-1.3026387002649271,-0.1733194231804881,-2.869998145404072,-0.0635283266422493,-8.918250408338583,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0085,9.49001315849995,10.354075018767674,11.186198938767358,11.981448892432269,12.736017890614717,13.447525284411332,14.11496413139526,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_16,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0970020738862683,0.6498674979567173,2.037402583775604,4.153447514349685,6.181218070978185,7.511970769708154,8.206666757390627,8.530204274331435,8.651365883463836,3.400026073300606,0.468186725832347,0.0045756784043317,12.532762799258998,5.9253610497205775,6.96505129560214,1.2506957855197138,3.382432704661115,6.8423160277278745,0.3235847859709278,1.8357603864730991,0.2619314010889629,12.78702331496332,2.731178973673986,5.409198327496687,0.193334039773502,0.1425006859065638,0.2163436399198639,2.2036226316251435,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0085,8.648492955540187,9.622280098654228,10.562536371761093,11.460309679432202,12.309987078184214,13.108597003002002,13.855179475833983,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_17,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2044630537566389,0.8954122508004679,2.3438201955261406,4.474153746396831,6.495433883862686,7.818624405823672,8.508961072557224,8.830414211081422,8.950788669386894,3.719637510409763,0.689744682217021,0.0233872450401065,13.262449695995914,7.095612223513126,7.130289127022972,1.886288001290653,1.7562637586037375,3.754506122423571,0.2915648252893373,3.241433433711874,0.1008608782372013,12.44128367283862,-0.6297914147855342,-1.4961323614885385,-0.1856462093885171,-2.9623100171002323,-0.0661629839000475,-9.369643811714838,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0085,9.51788836451852,10.373749231315935,11.19925598033193,11.989167578485896,12.739445401880046,13.447526871348227,14.112258121332507,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_18,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1136422220410451,0.6608291855050556,1.8452608175862104,3.7129165139205154,5.642285553945656,6.96228292116474,7.6641486447811396,7.993588554857041,8.11735071184369,3.029080549698119,0.492493608278659,0.0061431471060447,10.401457908282822,4.433049113667962,6.00181807931099,1.119823844646643,3.493042974510228,7.119964118762167,0.347182330819042,2.701552543156718,0.3610282566538803,15.26342947679825,2.2518128400109623,4.38857266382954,0.0989363039191888,-0.525645806541374,0.2741421472389318,-2.3259890693895544,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0085,7.449171217247486,8.319976627361433,9.175743604446229,10.008525221772672,10.812325681013082,11.582793970237972,12.31699332881326,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_19,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2236101353287569,0.9186137109855024,2.2154613443317244,4.110073923918418,5.979726517560717,7.238441248826243,7.904133481642909,8.215975066855403,8.333037757930148,3.4309848263212923,0.7215374957458838,0.025209682860539,11.260096456138529,6.0464256819713285,6.2805254530736425,1.82115984878758,1.7577034095135056,3.79070365998595,0.2766411593393287,3.970832684228136,0.2636957579881434,14.321340234354102,-1.0087081838797816,-2.296928904678836,-0.2766411593393287,-3.221837458594411,0.0700469464506134,-14.321340234354102,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0085,9.489410396203972,10.203281154433824,10.907339453028904,11.595229456911866,12.261667432580968,12.90259448163376,13.515149854790025,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_20,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1152078266847885,0.6661201632280578,1.8693741624486528,3.8691065470761,6.027387777181028,7.530726475707536,8.335108780859107,8.713531926099181,8.855817025011115,3.1231016804234883,0.496914994068953,0.0062924032259216,11.559246501004202,4.998575592009985,6.533618835680164,1.1614954415160013,3.517655781610514,7.04575337707174,0.2662603495934607,1.3875729848628282,0.4107112307551096,11.996811566589896,3.517655781610514,7.04575337707174,0.2662603495934607,1.3875729848628282,0.4107112307551096,3.4462887098308275,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,0.0,0.0,0.0,0.0,0.0,-10.0,RSM0085,7.339406159048122,8.220506235588928,9.084697690851158,9.923979777273855,10.732584056731078,11.506502164072964,12.243152319852006,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_21,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2144921031335157,0.9013576819648867,2.237983600468656,4.277009114060653,6.31563832882054,7.687557873552307,8.411891786887576,8.75086345266641,8.878052762294285,3.539996460496703,0.7045679417007685,0.0235287484621488,12.557834243294288,6.732417023236424,6.66666944446555,1.858866556487928,2.1582985237101013,4.699126187203718,0.3158628642065933,4.034662399334331,0.2821197178102165,15.435935233466187,-0.5356593769068904,-1.229068258914806,-0.2229287159168051,-3.2948976612841068,0.0470755906221331,-12.50850956233786,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0085,9.29936519653682,10.08859992753832,10.852733756176908,11.588661693261022,12.293462889907476,12.96486081637049,13.601392955417484,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_22,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0034451886503097,0.1359549564294354,0.943973828611996,2.813824545447286,4.973428888520056,6.501393854307822,7.3231915030967185,7.710595953077012,7.856375558702307,2.088585660638346,0.074474315849312,8.212721394412057e-06,8.483810390438888,2.211443672129512,5.364789560611087,0.2419057169637703,7.381950986218723,15.012858904286464,0.8648424501633833,3.8554472560150286,0.1817884033923729,29.50466595431801,-7.381950986218723,-15.012858904286464,-0.8648424501633833,-3.8554472560150286,0.005085401912998,-29.50466595431801,0.0,0.0,0.0,0.0,0.8599999999999999,0.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM0085,19.068035183360752,19.713335245050622,20.242680609520992,20.680168507793816,21.044587224329064,21.350525041894784,21.60932298255134,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_23,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0034444617964564,0.1355850273478286,0.9401957163569316,2.8088709835688124,4.974591857492624,6.5090966761148445,7.334837744447843,7.724176294236707,7.870694418615203,2.0830520085770354,0.0743174563810525,8.218507947190731e-06,8.496446387932624,2.20031970098883,5.373679835148886,0.2382941060420144,7.318918181976233,14.876938630165649,0.8560493246107781,3.702204284846376,0.1888253116047542,29.215485340757343,-7.318918181976233,-14.876938630165649,-0.8560493246107781,-3.702204284846376,0.0198756835143134,-29.215485340757343,0.0,0.0,0.0,0.0,0.8599999999999999,0.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM0085,19.04707476534516,19.6957990656064,20.227808072858217,20.66740580129349,21.033522138806923,21.3408448287902,21.60078633172756,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_24,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0061678280557563,0.1785453529945127,1.127550488533028,3.052994407164139,5.095134324404802,6.496770659722998,7.243471280699679,7.594339129857603,7.726217566492791,2.334295245352433,0.1010830872593783,3.0056501132262083e-05,8.076972407480168,2.6421483643324906,4.882071700757207,0.3350502278001178,8.047664280188814,16.417952318701037,0.966919958950252,4.8546990861138655,0.2063278699756768,33.593258462516864,-8.047664280188814,-16.417952318701037,-0.966919958950252,-4.8546990861138655,-0.0220679714183638,-33.593258462516864,0.0,0.0,0.0,0.0,0.8599999999999999,0.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM0085,17.89380413628052,18.64465523585037,19.271544359723045,19.79767949288612,20.241867764498945,20.61918575608693,20.94167623596317,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_25,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0063557527140012,0.1646451472764255,1.0150572044756387,2.9331340918520485,5.117129049402991,6.650711371791149,7.472781044420405,7.859765697720561,8.005304224110946,2.193228450803007,0.095505746776075,3.307710354401317e-05,8.417991229787509,2.2868684375247503,5.246010912032243,0.257003255554901,7.867534136958664,15.952143612140544,0.896483289732219,3.521738610067758,0.1753761631316064,29.894844384133123,-7.867534136958664,-15.952143612140544,-0.896483289732219,-3.521738610067758,0.0211435208004963,-29.894844384133123,0.0,0.0,0.0,0.0,0.8599999999999999,0.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM0085,17.99016140544347,18.72234054428974,19.33506267220409,19.850298797456286,20.285988605045336,20.656594174687783,20.973717967873256,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_26,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1014073893331795,0.5669214886942053,1.7423018498168212,3.815419064095155,5.91756179361014,7.318456888918914,8.053172669186322,8.395909645753244,8.524339502080048,3.05476648054839,0.4229014900466346,0.0053758949952577,12.253990593889522,4.40750610467109,7.224428138291863,0.8500266756905738,2.993462926799469,6.232276878225561,0.322390020668115,3.637298307556216,0.5433346425339667,15.57941398187996,-0.2759207267367684,-0.6984638010864982,-0.0736470817349211,-2.946138770210651,-0.3517923426683847,-2.656348862561264,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0085,10.640744604093994,11.49460447625514,12.299165183903954,13.056984966403585,13.769578228745912,14.43809406858094,15.063704771557166,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_27,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0960432070306621,0.5471522271135184,1.6935805178348278,3.805200358480396,5.997971185513857,7.46475779972426,8.233241428664716,8.591350724468473,8.725467462927815,3.020728919659543,0.4078590860667074,0.0048365059941861,12.461084346166238,4.350662447793861,7.395570322684488,0.7748113853111794,3.2359057919613434,6.900532859302856,0.3402857873425329,3.520870066985582,0.560307591614644,15.967508428812254,0.3589007163741413,0.8140791577444131,0.0039883464117331,-2.891503992896295,-0.3617718697958081,0.0339142688448162,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0085,10.527233027951244,11.422550835762474,12.267683255683693,13.063234344012471,13.809534269376975,14.50717556029326,15.1572320874271,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_28,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0993673448322397,0.5594615523980696,1.7205639422534145,3.778260337729803,5.852107046942447,7.223697798298614,7.939884430972019,8.273282753086482,8.39810349694282,3.023742126561954,0.4172553873140329,0.0051895871085643,11.75324799108992,4.236973268594578,7.043004708809597,0.8291671858800597,2.041055113831565,4.152358792079773,0.1712665647316741,1.7546169871256694,0.4319230640857178,9.7436922454905,0.2002129719213165,0.3394929673906635,0.0358047658382369,-1.1699195459320768,-0.2808726198362453,2.4370897366346047,9.0,18.0583,1.0,1.0,0.3999999999999999,34.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0085,10.076007898143107,10.961857769300252,11.803113246180487,12.599371383916669,13.350085806971205,14.055088533349307,14.714796604152127,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_29,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.099479453532701,0.5575172521023438,1.7199501446526653,3.900884012969797,6.218262708191955,7.792185350837353,8.623231643557235,9.01187458611551,9.157643110924466,3.084191072692997,0.4164471939398684,0.005211912172528,12.97030856696506,4.676724272267807,7.551617912617362,0.8172467350892498,1.9149773748175265,3.86978786305932,0.1466304302858558,1.286620042771764,0.4020396431693541,8.671929992639217,0.5605078404030635,1.0971107725965652,0.079013492029094,-0.6187866088621,-0.2241636774149379,3.7438028904385385,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0085,10.219878994622665,11.091096782557296,11.918071177793552,12.700939561309823,13.439405285127982,14.1333848164591,14.78328478070468,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_30,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1018326599286949,0.5689331307310921,1.7497436842756784,3.8260605577982094,5.930176583784411,7.333421352620263,8.06980197452965,8.413419835393762,8.542196803815882,3.064733530816367,0.4242865029672352,0.0054208750689373,12.29530943875569,4.435151442809523,7.24706936386033,0.8609280576014908,3.015431927149854,6.276036777299553,0.3210322969869226,3.5170022819328555,0.5412832107731325,15.487467246255743,-0.1315297288558269,-0.3892391761307772,-0.0543641675238032,-2.810883129072167,-0.3477275975227515,-1.9478364998030504,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0085,10.61165291044969,11.4663706039201,12.271189245170191,13.028883134592412,13.741158646396752,14.409310414653133,15.034608495287149,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_31,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0966154032120411,0.5485348180455599,1.6950971083241893,3.8106481939903687,6.009612823208139,7.480274512900608,8.250535521504917,8.609400998507837,8.743788426492412,3.0242592059540567,0.4091413019128348,0.0048922159911261,12.521945739425664,4.367902984757626,7.415772705997837,0.7744683064625668,3.171217384167625,6.740708620691768,0.3304217544128269,3.3791952216032057,0.5500061436889503,15.584494167150885,0.3926683557455542,0.8671448090837193,0.0101316072838885,-2.732423505734877,-0.3504439498318544,0.2783608587796531,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0085,10.473401347678047,11.369455302416126,12.215254063116651,13.011527967311226,13.75867825367876,14.457325854687342,15.108544035183048,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_32,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0997065347457371,0.560709277741873,1.7258340484229897,3.789650622989327,5.867928580185014,7.241991067027966,7.95939939230159,8.2933573254799,8.418386541498318,3.03315049009288,0.4181710571493297,0.0052257373074194,11.795791110070034,4.2515850020075465,7.071562061409209,0.8388410043941666,2.017243470384933,4.114382619012922,0.1710590966419655,1.856951298624181,0.4359599630614684,9.786201124720549,0.0714076533509219,0.0764341546928811,0.0204273027507744,-1.302275536860542,-0.2898505513809905,1.934561723066932,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0085,10.139901218370252,11.024171391873631,11.862773438794497,12.65571208388161,13.402758323836183,14.103976169056414,14.759942631190809,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_33,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.100199783232976,0.5597220578615242,1.727873248948559,3.9266430150266456,6.261088685948157,7.844075899010338,8.679102861111803,9.069427246395254,9.215797798848303,3.1031123478708205,0.4182618864424585,0.0052867211493766,13.125268026865411,4.733470224847189,7.634708588117238,0.8323024800317121,1.851685478645021,3.753934457595316,0.1419461515297483,1.3780010356030763,0.4026166538645101,8.553537693360033,0.4216437304927762,0.8161413839129388,0.0603730118190665,-0.7294249009295225,-0.2216339582651246,3.028328409940443,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0085,10.260547649462202,11.126306996540102,11.947291878733092,12.72408718580752,13.456709295940888,14.145274940710811,14.790302206831436,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_34,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0602242762475329,0.3759774105458692,1.3545163501181527,3.2623144460223243,5.30739473829427,6.706601933653592,7.448772060871716,7.796643962107543,7.927249644698772,2.54566991761971,0.2702084100510101,0.0034814255592749,9.61045298674271,2.8992521121300223,6.1295374595079375,0.5403672370713732,5.637012548821493,12.55419232161178,0.5916706138188239,4.69977615298681,0.9341426457279624,25.349762090914822,2.396339301890977,5.846268612210917,0.3534296039120548,-4.69977615298681,-0.9341426457279624,17.01132674417791,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0085,14.029868349750826,14.948440015620784,15.763146375119495,16.487433208728532,17.13307945096025,17.710211722277275,18.22747912361439,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_35,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.061424822543656,0.3806240115772766,1.3752323612257198,3.385544266759408,5.595749743180963,7.120532415286753,7.930999510370397,8.311080742419199,8.45379905694034,2.621648990283132,0.2738932581617225,0.003613390300207,10.493101721694996,3.171392602119738,6.661903560667004,0.6131385735888665,4.959777291066425,10.985293494589348,0.4860973469069393,3.816240945263277,0.8828642010841636,22.35559532356293,2.099939198280829,5.138028335268241,0.3456821800542524,-3.816240945263277,-0.8828642010841636,17.441064483718886,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0085,14.479616541356156,15.329756172424656,16.085459278914815,16.75952575474148,17.36276966092877,17.904271128772105,18.39167334215645,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_36,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0588274799668989,0.3729079992724859,1.363081444577347,3.3165963053250067,5.398350765440288,6.80921516966092,7.553108826920851,7.900762743882852,8.03112131039089,2.5827011299599496,0.267285553059954,0.0033193319058552,10.238267993290762,3.019129641121186,6.522359205850373,0.5076159626494948,5.727690242877281,12.642654058659756,0.5954885618216499,4.875784634345458,0.9897989829094082,26.046852045960097,2.022038895448926,4.968588209568952,0.3198797045885962,-4.875784634345458,-0.9897989829094082,16.40054204280322,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0085,13.564018619923054,14.540691331407606,15.406043585893666,16.174091953664426,16.85737726720841,17.46681780918152,18.01181126573584,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_37,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0613718481427232,0.387212605925629,1.4689204951214825,3.5919867436419954,5.799217038559747,7.274765015532084,8.048197947699462,8.408772195640944,8.543843005143355,2.8014405206990185,0.2762887112446263,0.0036009333488668,11.59908506161876,3.762836249321235,7.1126022102781485,0.7041868718143739,5.486521332945426,12.203277516867743,0.5741600017622753,4.6744085522760175,0.924553315504355,24.72991026734332,2.171118459642023,5.336611743216745,0.3267387973656598,-4.6744085522760175,-0.924553315504355,16.070168113461783,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0085,13.570493920646044,14.510099197529591,15.346110164162468,16.091496944197377,16.757731265103587,17.35474482944428,17.891067305119815,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_38,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0603015763709852,0.3774499007872868,1.364713694046608,3.2921245123249645,5.3558443098821655,6.76643611963829,7.514294367917344,7.864761235539682,7.996330332350806,2.568290606313438,0.271082000498907,0.003482279857705,9.757093371791791,2.960475694216907,6.211330541452399,0.5464675639728711,5.623501942963374,12.52785304138724,0.5880913265124781,4.622920026534144,0.9319618690639084,25.26485345055234,2.4590241391194563,5.985241888816536,0.3627940949090312,-4.622920026534144,-0.9319618690639084,17.3794503444317,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0085,13.929898385059383,14.8634375970394,15.690017793421593,16.423811341545004,17.077154215469662,17.660592730170684,18.183090105738334,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_39,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0617543017302223,0.3830384710938153,1.3934280168382325,3.427015352323437,5.648574160356076,7.176937553803317,7.988490913712398,8.368937754289727,8.5117728493362,2.6562753395650214,0.2753395147711262,0.0036472945286389,10.703073153186482,3.2801012734624377,6.751964468405644,0.6294408675182267,4.95569940306867,10.986935680175282,0.4857994805129461,3.8154276292165146,0.879833795711456,22.311977006827345,2.120828483833503,5.19170395158964,0.3475199986261643,-3.8154276292165146,-0.879833795711456,17.472195140789985,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0085,14.361744409937712,15.217694392033938,15.97967858133279,16.66007499021474,17.269466468122957,17.81681582526727,18.309714486372787,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_40,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0588296315514742,0.3724323880417985,1.3633111071138793,3.320688892327411,5.406079979910948,6.81890857370634,7.563690811952217,7.911728088480142,8.042225386677485,2.585321135666825,0.2669454018016479,0.0033255343383131,10.290247828631758,3.022761483569396,6.5578881246039415,0.5077250535666157,5.686077507864516,12.551279629934935,0.5873810430667334,4.75433313691319,0.985442182503763,25.835822882525,2.0805629334109192,5.095779007986427,0.3300528189479397,-4.75433313691319,-0.985442182503763,16.829335038367216,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0085,13.671392805457902,14.635055348666397,15.489118921655043,16.247433877877825,16.922346106787657,17.52458355128611,18.06337138413036,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM0085_41,RSM0085.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0611498857476751,0.3862880151025939,1.4723414286390026,3.605729814923041,5.819400137682457,7.297538882805487,8.071970273952122,8.432945343393218,8.56815704926711,2.8118248815300566,0.2754459854017028,0.0035829406698647,11.69157099778065,3.794911173881948,7.154369493443054,0.6954105053977699,5.432062347568508,12.074605898556232,0.5682096734981824,4.684749377464487,0.9203780040430036,24.5138165587978,2.06634065972492,5.100550146616192,0.3139553861833974,-4.684749377464487,-0.9203780040430036,15.614916502780323,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0085,13.501420818238664,14.448640775795102,15.292115068386996,16.044429785287164,16.716889784933958,17.319386090705844,17.860475826582977,O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1.[Mn]rna.cat0,"linker O=C1[N]C(=NC(=O)[CH]1)SSC1=NC(=O)[CH]C(=O)[N]1, nodes [Mn], topology rna"
RSM1852_0,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0004233809882233,0.0552945130059946,0.6255469376429121,2.1891925788543047,3.984445560503437,5.2155364178138885,5.864832909435058,6.168029525933634,6.2816615843734045,1.5759184718470816,0.0254324725537916,9.08412978116122e-08,5.495879553985275,1.3477997190810975,3.447517897250214,0.102427210371961,16.60414822237786,38.77031370014541,1.462235382017386,7.116810835240073,0.6443643304333168,50.14510034338599,-13.30820770444502,-29.784481201421183,-1.462235382017386,-0.2519520738767749,0.6443643304333168,-50.14510034338599,6.0,16.357999999999997,0.0,6.0,1.06,-12.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1852,22.40150138546065,22.66234731520244,22.86466802347725,23.02455465831297,23.152980390658648,23.25761859882596,23.343956259890103,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_1,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0004231347590859,0.0552920992954445,0.6257021591073909,2.1898237610540594,3.985512371376167,5.216842067615064,5.866247795179573,6.16949179307435,6.283141037468429,1.5763732410223543,0.0254286846821064,9.073437642928105e-08,5.498416000107786,1.348548701768418,3.4489260015697427,0.1024573001977912,16.607510077163234,38.77732374770644,1.4626890303207911,7.1176754036567775,0.6442632471398886,50.16017809243306,-13.31250355693248,-29.79403763805066,-1.4626890303207911,-0.2548520207526826,0.6442632471398886,-50.16017809243306,6.0,16.357999999999997,0.0,6.0,1.06,-12.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1852,22.40436220147022,22.664742442395664,22.866700762479216,23.02630031992288,23.15449503847805,23.258944753809303,23.34512671354561,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_2,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.00042354219707,0.0553030699463494,0.6255937423917863,2.18929281810776,3.9845856332122014,5.2156980781106,5.865004704624008,6.168205806992972,6.281839509198077,1.5760012136506427,0.0254372035256874,9.091456724230949e-08,5.496243823093277,1.347929342513536,3.447713927046788,0.1024410229410506,16.604273156837873,38.77058261399147,1.4622532251977982,7.116801624991087,0.6443578641672016,50.14541450281494,-13.3085230546529,-29.78526925206784,-1.4622532251977982,-0.2519848577543155,0.6443578641672016,-50.14541450281494,6.0,16.357999999999997,0.0,6.0,1.06,-12.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1852,22.402433002111994,22.66312655579909,22.86532887432019,23.025121841645465,23.1534722767599,23.25804909940129,23.344336089919512,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_3,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0004233762092177,0.0552996655379559,0.6256841833844444,2.1896998493955726,3.98528782067064,5.216559339348676,5.86593714728341,6.16916867727271,6.282813336588166,1.5762891017440614,0.0254339247120854,9.084679287592208e-08,5.497765799202303,1.3483822180218072,3.448564042890337,0.1024603518003751,16.60663044982878,38.77549071860202,1.462570495402954,7.117444472074201,0.6442893246282348,50.15620368592859,-13.311399480777704,-29.791592686645792,-1.462570495402954,-0.2540845137799462,0.6442893246282348,-50.15620368592859,6.0,16.357999999999997,0.0,6.0,1.06,-12.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1852,22.40531862686847,22.665542494638583,22.86737930805842,23.0268827234358,23.15500014926644,23.25938684768936,23.345516786900447,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_4,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405221459038205,0.5234886003214183,1.6487857393975278,3.981129240970189,6.574762680681865,8.369777988994779,9.32451740756283,9.772308518052652,9.940453858634973,3.0899303715570667,0.4039830293477929,0.019891536706244,15.192748488421984,4.48214606574811,9.528842748048008,0.6886580560073882,2.05123425993012,4.513847653157746,0.4102468519860239,5.333209075818312,0.1435863981951082,18.46110833937108,2.05123425993012,4.513847653157746,0.4102468519860239,5.333209075818312,0.1435863981951082,18.46110833937108,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.234492037672372,3.881010664430925,4.553222226469876,5.2336913015069735,5.908583750807975,6.567781214050879,7.204496889444333,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_5,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400022632296836,0.4748406872129479,1.240012576134805,2.680473397879456,4.278400770523683,5.39900002118683,6.000239734107632,6.283440165381014,6.389976520911998,2.134420124640083,0.3791541966828049,0.019951720257784,9.085097822630695,1.966937521983093,5.892706200119036,0.096547864441327,2.453592934401669,5.1540000311057295,0.3650234792667728,3.362659046718874,0.0875357833070308,14.414934845187798,2.453592934401669,5.1540000311057295,0.3650234792667728,3.362659046718874,0.0875357833070308,14.414934845187798,15.0,31.05706,2.0,15.0,0.3799999999999999,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.582459355727096,4.242048007457945,4.920458569554556,5.6013440397674605,6.272054417761663,6.923578197647437,7.550081719673361,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_6,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1431266434522347,0.5323085303287601,1.711325941538257,4.200924603865519,6.960411551237019,8.854160375070395,9.855781480200044,10.324240936132515,10.499932990136422,3.248373471178957,0.410027375865877,0.0206145591113853,16.934219288937356,5.149251190275199,10.496535421487454,0.9239860563587688,1.98823671253158,4.375218274234792,0.3976473425063158,5.169415452582107,0.1391765698772104,17.89413041278421,1.98823671253158,4.375218274234792,0.3976473425063158,5.169415452582107,0.1391765698772104,17.89413041278421,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.3367548641523865,3.986068665683871,4.657752664744455,5.335213775697641,6.005347787562787,6.658597433962467,7.288573311706037,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_7,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409935101959033,0.481775996120526,1.3615667852558588,3.176211282184644,5.200722000616414,6.605528030310063,7.353969501491811,7.705302439807862,7.837277117365325,2.4820306758104134,0.3825737084318782,0.0202238065055888,11.541792373084764,2.91423366047068,7.315107301660901,0.2297084774223455,6.598314978953511,14.66601134824812,0.7867061279434764,6.304855431992428,0.200366182054916,28.401858396512072,6.598314978953511,14.66601134824812,0.7867061279434764,6.304855431992428,0.200366182054916,28.401858396512072,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,89.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.4096365227885017,4.058737861740488,4.730096669295405,5.407064868831745,6.076526067323747,6.728950722773148,7.358004489855674,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_8,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414102621135407,0.5741587348988887,1.84074148921408,4.3044557217110535,6.904496991559368,8.653809071829414,9.572170563928315,10.000445099558316,10.160885585976535,3.382105354052304,0.4366714623704328,0.0189360587951513,16.338711505826343,5.503315873855764,9.45070412903608,0.8416838761490733,3.304787639592717,7.335360243732687,0.4969028184496034,5.182422920541264,0.1483810096808225,20.22795790944563,3.304787639592717,7.335360243732687,0.4969028184496034,5.182422920541264,0.1425357788678379,20.22795790944563,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.4064024828362487,3.911083234206439,4.451932850578399,5.017208692239035,5.595434711466192,6.176624695257265,6.752805345897514,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_9,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1383210186074098,0.5506265775109328,1.6257997441684011,3.630998801264678,5.729171590091977,7.14119379130407,7.883659170782162,8.230265526352548,8.360175373756515,2.884193124795732,0.4241192557242631,0.0181149141065258,12.014751766700028,3.8518692937105454,6.879336205185992,0.4869256021434869,13.975441476931742,31.58618299134605,1.478362139186553,8.705942732828174,0.3075557277978978,49.82061504265961,13.975441476931742,31.58618299134605,1.478362139186553,8.705942732828174,0.2138850594939284,49.82061504265961,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.432878130448292,3.945310615174593,4.492131311372838,5.062025378909494,5.643906207092628,6.228123847870127,6.806987089729508,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_10,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401530529888529,0.5371937549273107,1.4195501495677654,2.917617079784382,4.482248671455773,5.549027387788971,6.114524037660717,6.379537495218873,6.47902811031972,2.364085257313146,0.4199053462145618,0.0185913965168276,9.368134275163987,2.4909938331978863,5.585386760951176,0.1573233039034723,5.755994301971037,12.91429641654922,0.6446079029291101,4.5124529072937065,0.1506506855422537,22.490426552035565,5.755994301971037,12.91429641654922,0.6446079029291101,4.5124529072937065,0.1319831737437099,22.490426552035565,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.484945997541177,4.020047585321199,4.586934204331236,5.173499406955514,5.768344747083813,6.361850472792776,6.946566604485285,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_11,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426485229610111,0.5740420141217479,1.841839896169733,4.255749702386577,6.719359154954472,8.345181773858524,9.191287523437436,9.584388038947212,9.731427445828658,3.362933960960992,0.4374087166541959,0.0192381072348895,15.53371426114922,5.488889525825224,8.965888286210541,0.9679605768657648,3.956143103795263,8.858066009164409,0.5315858588835065,4.98531094026777,0.1502818813230243,20.614007228866512,3.956143103795263,8.858066009164409,0.5315858588835065,4.98531094026777,0.1416249548742623,20.614007228866512,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.352496357252406,3.868851239058521,4.420526207328539,4.995376278282892,5.581724186090236,6.169535239196527,6.750888282498739,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_12,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405155323035058,0.5235767039989366,1.64913872238708,3.981698196429365,6.57539383589661,8.37040612808935,9.32513510146221,9.772919743761388,9.941062430866264,3.090445015042131,0.4040329169499669,0.0198885397462914,15.19488243572259,4.483697104150019,9.529727954904654,0.6890289438784452,2.0519329526897327,4.515385162907297,0.4103865905379465,5.335025676993306,0.1436353066882811,18.4673965742076,2.0519329526897327,4.515385162907297,0.4103865905379465,5.335025676993306,0.1436353066882811,18.4673965742076,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.233990756080786,3.880477608930339,4.552669177778315,5.233128719676792,5.908020259215575,6.567223552771937,7.203950097682879,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_13,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400763849433624,0.4749485597835211,1.2401482984966117,2.6806098235232705,4.278474646734418,5.399011572795749,6.000214562933155,6.283397161845757,6.389926736480747,2.134565083369516,0.3792578337097386,0.0199727730120564,9.084793239369253,1.966928080282792,5.892525943665913,0.0965787679753057,2.451843974177648,5.150366911517706,0.3647841608389199,3.360763116943252,0.0874873734147068,14.40593309380564,2.451843974177648,5.150366911517706,0.3647841608389199,3.360763116943252,0.0874873734147068,14.40593309380564,15.0,31.05706,2.0,15.0,0.3799999999999999,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.5822022792807173,4.241773984716222,4.920174051257103,5.601055008169583,6.27176582870874,6.92329386520896,7.549804409996295,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_14,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1431342442612741,0.5322458258750198,1.7110932353396988,4.200503942643956,6.959897337446424,8.853621546497171,9.855238408716437,10.323697564836277,10.499389757263373,3.2480091449477904,0.4099916727222271,0.0206176947998515,16.9321206827837,5.148026199709684,10.495238973309428,0.9232214536554044,1.9885618880237288,4.375933839814393,0.3977123776047457,5.170260908861694,0.1391993321616609,17.89705699221356,1.9885618880237288,4.375933839814393,0.3977123776047457,5.170260908861694,0.1391993321616609,17.89705699221356,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.335755728633353,3.985009095736353,4.656653993679754,5.334095166094027,6.004225404507004,6.657484299999027,7.287479526096651,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_15,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410182579509299,0.4817833143037235,1.3613652526935351,3.175877200055185,5.200539027428728,6.605535956681203,7.354095923704649,7.705487482344129,7.837484610244944,2.481703699910077,0.3825959257994006,0.0202309104710741,11.540736438624124,2.913170102754492,7.31510916482211,0.2295828500487834,6.59053446678809,14.64762989855349,0.7861528063863527,6.303430584717122,0.2002342152585912,28.388860792866968,6.59053446678809,14.64762989855349,0.7861528063863527,6.303430584717122,0.2002342152585912,28.388860792866968,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,89.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.4105124073865176,4.0596912860768,4.731107324800714,5.408113645832328,6.077596019261286,6.7300274686528825,7.35907624709273,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_16,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413939463242551,0.574135968865491,1.8408060498717569,4.3047156190832325,6.9048684905227065,8.654208492039933,9.572572514870066,10.000845733467148,10.161285342799474,3.3823015558415293,0.4366473661372276,0.0189317057462107,16.340327511285828,5.503751152460465,9.451572163625508,0.8418244979369357,3.303917781923885,7.333198699227859,0.4968744042867864,5.18280137746393,0.1483754543089608,20.228324022528472,3.303917781923885,7.333198699227859,0.4968744042867864,5.18280137746393,0.1425311656607827,20.228324022528472,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.4074243932821324,3.912048178634647,4.452843663671822,5.018068091839253,5.596245329628471,6.1773890828286175,6.75352596683434,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_17,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1382423948389951,0.5505242055959054,1.6257220356999025,3.630963426611592,5.729234060127212,7.141346633941697,7.883865868621207,8.230498695192082,8.360418670841218,2.8841360374357787,0.4240139551706119,0.0180937864580035,12.015401923372837,3.851715035201871,6.879909460309348,0.4868758103944561,13.97414952611027,31.58285710981231,1.4783000759928069,8.705555346205454,0.3075143411117986,49.81984434543639,13.97414952611027,31.58285710981231,1.4783000759928069,8.705555346205454,0.2138246583089718,49.81984434543639,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.433718462678933,3.946092831508362,4.492857350753632,5.062698826156805,5.644531906422922,6.228707521244784,6.807534994537233,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_18,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401212672068671,0.5371116993735885,1.4191086913358504,2.9161987483302587,4.479818324028992,5.545955769056197,6.111127415086616,6.375991778236662,6.475426921793354,2.363039177022324,0.4198418946259449,0.0185833073293749,9.36103421722678,2.4881193294804587,5.58143144404443,0.1568685521035762,5.752277105559487,12.905810005942143,0.6442335715992799,4.510033680269719,0.1505576668762605,22.478165868545727,5.752277105559487,12.905810005942143,0.6442335715992799,4.510033680269719,0.1318940672951326,22.478165868545727,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.484873807557013,4.020056240928921,4.587011434745806,5.1736335114018654,5.768524784174312,6.362066464493148,6.946809666702567,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_19,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426304347457772,0.5739463465942833,1.8412960429931668,4.254321028470822,6.717047494986425,8.342286974936096,9.188088218123603,9.581046987708977,9.728033329593552,3.361828382072692,0.4373466755494434,0.0192338694059041,15.524070684327183,5.484927445289949,8.960580441239037,0.967095523736155,3.963059254075858,8.874045668867787,0.5321062161896375,4.985937907857785,0.1503595037337968,20.62675714926257,3.963059254075858,8.874045668867787,0.5321062161896375,4.985937907857785,0.1416647132232413,20.62675714926257,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.3518620294166075,3.868236804105295,4.419933016111528,4.994806344612718,5.581179421574839,6.16901712709231,6.75039779761574,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_20,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405726791942083,0.5236103384277153,1.649009529409338,3.9814056917075873,6.575062052328259,8.370088940006957,9.32483398814804,9.772627661986231,9.940773954932236,3.0901941017614765,0.4040836963482994,0.0199053345643688,15.194158492828128,4.482822619269292,9.529640101429775,0.6888108647671136,2.0515432018661843,4.514527495953035,0.4103086403732368,5.334012324852079,0.1436080241306327,18.46388881679566,2.0515432018661843,4.514527495953035,0.4103086403732368,5.334012324852079,0.1436080241306327,18.46388881679566,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.2339936695116327,3.8804597036510384,4.552637015446844,5.233087479706041,5.907973801313423,6.567174631218952,7.203900605040754,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_21,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400494253543176,0.4749181176755047,1.240123479139842,2.680631009748721,4.278596941352557,5.399218253309455,6.000468631971726,6.283673853589345,6.390211975726073,2.134561736428245,0.3792258212903122,0.0199650113619287,9.085747616523555,1.9671500712930583,5.893124317005904,0.0965790970938328,2.453387351837256,5.153578965494969,0.3649984191250447,3.362509884959111,0.0875321502961955,14.414064040748512,2.453387351837256,5.153578965494969,0.3649984191250447,3.362509884959111,0.0875321502961955,14.414064040748512,15.0,31.05706,2.0,15.0,0.3799999999999999,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.581792872258125,4.2413295237099895,4.919710159198121,5.600583901569474,6.271296593100944,6.922832974614543,7.54935628153932,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_22,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430691789926387,0.5321958113614859,1.7111567928981284,4.200748447385572,6.960270776303867,8.854054787420536,9.855696629885394,10.32416616877328,10.49986205992066,3.2481929556875264,0.4099283986216743,0.0205983537489316,16.933517394886856,5.14876308773091,10.4961393080371,0.9237330343868702,1.9883394821352045,4.375444424091588,0.3976678964270408,5.169682653551531,0.1391837637494641,17.89505533921684,1.9883394821352045,4.375444424091588,0.3976678964270408,5.169682653551531,0.1391837637494641,17.89505533921684,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.3362379202024868,3.985518229709139,4.657181628171071,5.334633246586703,6.004766780675644,6.658022953258901,7.288010604516615,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_23,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409801081649827,0.4817289791865368,1.3614433367838907,3.17603655858117,5.200532552515879,6.60533653019853,7.353778178776751,7.705111398845399,7.837086208822644,2.4818680465773744,0.3825387550207999,0.0202202155344491,11.540911234243802,2.9138943764279284,7.314624047273531,0.2296724641411091,6.598500305885912,14.666439007690862,0.7867301456576431,6.305098240266662,0.2003740629363825,28.40278876681307,6.598500305885912,14.666439007690862,0.7867301456576431,6.305098240266662,0.2003740629363825,28.40278876681307,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,89.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.41000333364673,4.059132019790906,4.730510559149323,5.407491264879803,6.076958536029764,6.729383800080087,7.358433705571954,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_24,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413848440410162,0.5741387859304707,1.8408089014407256,4.304632934775139,6.9047221217882,8.65404243636324,9.572402615147643,10.000675407387524,10.161115068313556,3.3822509298317187,0.4366445682183796,0.0189289106812401,16.339834891384694,5.5038172760248925,9.451254116671672,0.8418281665328582,3.304153517934887,7.333851900829061,0.496833687315139,5.181839137465481,0.1483590384168713,20.22548027700321,3.304153517934887,7.333851900829061,0.496833687315139,5.181839137465481,0.1425166989430397,20.22548027700321,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.406673943195921,3.911335528646557,4.45216856980784,5.017429771175332,5.595642496680118,6.176820056927696,6.752988795803064,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_25,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1382448704597642,0.5505222078772447,1.625737986996338,3.631027388553681,5.729287640113246,7.141365500284544,7.883859300868771,8.23047874391061,8.360393468274523,2.884188872978427,0.4240147267159443,0.0180942580845656,12.01525178211718,3.851887308144848,6.8796738154111,0.486870879107743,13.97504307633633,31.585204219660767,1.4783260156490776,8.705484760900395,0.3075356050234545,49.81944355765282,13.97504307633633,31.585204219660767,1.4783260156490776,8.705484760900395,0.21385544638789,49.81944355765282,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.433288379529143,3.945729366871953,4.492557038682667,5.062454466379459,5.644333424889286,6.228542813448012,6.807390698633577,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_26,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401046837903971,0.5371084807506742,1.4194083193717535,2.9173804233032405,4.481918331765242,5.548634522085257,6.114098169093856,6.37909616742137,6.478580978393574,2.3638828924154724,0.4198278355204516,0.0185784831840677,9.367087549287358,2.49056362249682,5.584831297142583,0.1572586977818881,5.756973034123635,12.916523744970371,0.6446962970422688,4.512839498805768,0.1506683216924288,22.49305064008448,5.756973034123635,12.916523744970371,0.6446962970422688,4.512839498805768,0.131998182763336,22.49305064008448,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.484982747032108,4.020123043873256,4.587047004869702,5.1736460130931485,5.768520332186861,6.362049636205996,6.946783883805631,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_27,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426636492265023,0.5740501597304656,1.8418140866358887,4.255630995357303,6.719124669177335,8.344865833536526,9.190928358890533,9.584008663199011,9.731040493096536,3.3628530808195007,0.4374206111256286,0.019242700833862,15.532659336985464,5.488665272788847,8.965159703610928,0.9679473992755095,3.957157295749701,8.860383872349864,0.5316609939143726,4.985385171129041,0.1502925108707985,20.61577626611677,3.957157295749701,8.860383872349864,0.5316609939143726,4.985385171129041,0.1416328663128954,20.61577626611677,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.352013590080933,3.868335299960593,4.419986985832647,4.994823305779954,5.581166008312716,6.168979139571972,6.750340236629725,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_28,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405860818564794,0.523675097558797,1.649189201815176,3.9816042274933854,6.575157850689957,8.370083001616386,9.324768549045023,9.772533432577411,9.94066879442387,3.0904050772565728,0.4041299264275434,0.0199085928371768,15.194028797491807,4.483439751387472,9.529225607160347,0.6890213932975093,2.0517554563808247,4.514994573049737,0.4103510912761649,5.334564186590144,0.1436228819466575,18.465799107427426,2.0517554563808247,4.514994573049737,0.4103510912761649,5.334564186590144,0.1436228819466575,18.465799107427426,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.2339653646042343,3.880441152590996,4.552627321960205,5.233085671846363,5.907978828721586,6.56718541190584,7.203916077990066,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_29,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400544642403936,0.4749219891976685,1.2401219495883244,2.680510839126081,4.2782642285291095,5.398719790557098,5.999879258281784,6.28304146593984,6.389563391733745,2.134499544830532,0.3792299075832311,0.0199665311324034,9.084431301082724,1.966736718528488,5.892397973951785,0.096564048627158,2.45168109028358,5.150022330951108,0.3647586841883651,3.3605100218968884,0.0874807286280555,14.404900246582816,2.45168109028358,5.150022330951108,0.3647586841883651,3.3605100218968884,0.0874807286280555,14.404900246582816,15.0,31.05706,2.0,15.0,0.3799999999999999,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.5814432857007827,4.240957567413908,4.919325274808315,5.600194436303209,6.270909278066769,6.922452896732395,7.5489870776513825,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_30,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1431010894085001,0.5322071733492868,1.711116512356205,4.200631570187765,6.960105297789739,8.853871275763131,9.855506762683554,10.323973890464272,10.499668956674617,3.2481016523816084,0.4099497843419274,0.0206080881357517,16.93303220888197,5.148361571703382,10.495917142041792,0.9233722782616444,1.988569322436485,4.375950199626254,0.3977138644872972,5.170280238334864,0.1391998525705538,17.897123901928374,1.988569322436485,4.375950199626254,0.3977138644872972,5.170280238334864,0.1391998525705538,17.897123901928374,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.3358422638765406,3.98512875164113,4.656803697181791,5.334270661214479,6.004421958128654,6.657697197152234,7.2877043752685084,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_31,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410015434402566,0.4817544667743371,1.3613103541425742,3.1758552032300487,5.200621883427413,6.605710631009822,7.354323250187896,7.705740195020178,7.837746955562308,2.4816589117172283,0.3825704678755868,0.0202261422075532,11.540930908947578,2.9131201191880938,7.315316774216419,0.2295666160542266,6.5893059957277735,14.644827756968622,0.7860490168525319,6.303027629474119,0.2002130239932883,28.385976870989072,6.5893059957277735,14.644827756968622,0.7860490168525319,6.303027629474119,0.2002130239932883,28.385976870989072,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,89.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.410227571971474,4.059379746866976,4.730778827366374,5.407776463783919,6.077256741083977,6.7296911010451055,7.358746447293522,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_32,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413742654367356,0.5740964347509115,1.840722343274103,4.30460295672803,6.904779568557944,8.654154936568098,9.572542117340715,10.000827059122155,10.161271201067557,3.3821921767640446,0.4366133577280432,0.0189264117621497,16.339985727586193,5.503377772616174,9.451584009917934,0.8417106637149653,3.3037244326581883,7.332786874930873,0.4968530375037526,5.182720892587378,0.1483734582181786,20.22761394104392,3.3037244326581883,7.332786874930873,0.4968530375037526,5.182720892587378,0.1425315117071793,20.22761394104392,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.407312765090728,3.9119439881232543,4.452746507075967,5.017977640144136,5.596161329992,6.177311348604559,6.75345436462484,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_33,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1382531979659104,0.5505523848645577,1.6257737856450842,3.630999137867224,5.729260354339627,7.141376770472492,7.883901067816817,8.23053692065074,8.360458134856717,2.8841787746394183,0.4240359610564811,0.018096727592439,12.015506538398888,3.851893675593869,6.879933365256487,0.4868937528226235,13.973279529693166,31.580861143942844,1.4782153461425307,8.705302645006375,0.3075038520095792,49.81713393506445,13.973279529693166,31.580861143942844,1.4782153461425307,8.705302645006375,0.2138309252102986,49.81713393506445,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.4335486233317902,3.94592021982552,4.492683967272282,5.062526818909958,5.644363436024495,6.228544694404256,6.807379828702342,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_34,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401392371228885,0.5371701129862589,1.419198784983103,2.916269462566075,4.479853825117078,5.545968841449651,6.111129697858727,6.375989290839996,6.475422691512256,2.363120852596663,0.4198898354081364,0.0185870566601886,9.361366985474463,2.4882022490766458,5.581622113626519,0.15686930549702,5.752767928654287,12.906952725614945,0.6442766491660926,4.510246495038318,0.1505680564194023,22.479441830251613,5.752767928654287,12.906952725614945,0.6442766491660926,4.510246495038318,0.1319033078986661,22.479441830251613,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.4847629202191928,4.0198955591068914,4.586807495976106,5.173393872373505,5.768257168791994,6.361778204954565,6.94650738889414,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_35,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426836294965837,0.5740519559035377,1.8413889110174768,4.254313795572105,6.716948159809918,8.342135582323333,9.187912158918811,9.580859985378789,9.727842314732456,3.361858363164432,0.4374426766641419,0.0192474810669134,15.52377353469269,5.484888342262181,8.960413494106417,0.967105576594249,3.962959601219229,8.873812024369892,0.532093043080774,4.985852102593969,0.1503570433857787,20.62623768268848,3.962959601219229,8.873812024369892,0.532093043080774,4.985852102593969,0.1416655538411716,20.62623768268848,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.3521933763689225,3.8685828031725946,4.420290410464912,4.995171220912243,5.581547721671469,6.1693849953376105,6.750761778537694,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_36,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405538164065579,0.5235507580591422,1.6488936814162858,3.981280731261007,6.574941569297707,8.369970047912613,9.324715142695323,9.772508645612758,9.940654843047422,3.09006864817534,0.4040373004658432,0.019900341610903,15.193428965335483,4.482523573501863,9.529192864163678,0.6887592579411305,2.051428653563287,4.514275426455998,0.4102857307126573,5.333714499264545,0.1436000057494299,18.46285788206958,2.051428653563287,4.514275426455998,0.4102857307126573,5.333714499264545,0.1436000057494299,18.46285788206958,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.2345473574545154,3.881076843074894,4.553296994190311,5.233772467834212,5.908669334230846,6.567869498182465,7.204586433786737,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_37,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400314194809334,0.4748796413541179,1.2400550343852488,2.680544267324533,4.278504936969856,5.399124947953236,6.000374834572499,6.283579831538419,6.390117867953182,2.134479234281104,0.379193072184882,0.0199600186745644,9.085426922648486,1.967044280300332,5.892929536153471,0.0965656687911113,2.453552511167793,5.153915471719091,0.3650176465657102,3.362607993007899,0.0875344624842869,14.414708404771382,2.453552511167793,5.153915471719091,0.3650176465657102,3.362607993007899,0.0875344624842869,14.414708404771382,15.0,31.05706,2.0,15.0,0.3799999999999999,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.582277927734733,4.241854185340661,4.9202562313718845,5.601136771302113,6.271845318394224,6.92336982134658,7.5498760928300195,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_38,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1431264966144348,0.5323048799680077,1.7113070599286713,4.200882911101282,6.960352344153764,8.85409153813962,9.855708077553054,10.324165500869826,10.499856808009104,3.248339359979943,0.4100251904851753,0.0206145588226276,16.934045898558658,5.149116658197256,10.496441921597722,0.9239102161897632,1.988255736109931,4.375260136608181,0.3976511472219862,5.169464913885821,0.139177901527695,17.894301624989378,1.988255736109931,4.375260136608181,0.3976511472219862,5.169464913885821,0.139177901527695,17.894301624989378,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.3367273823649195,3.986045714174927,4.657734017132238,5.335199068808238,6.005336589431834,6.658589293261858,7.288567789616618,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_39,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409909177932049,0.4817806654450922,1.3615908150342428,3.17622477736617,5.200711789786528,6.605502977096815,7.353937546462395,7.705267503898702,7.837241104954369,2.4820512018807253,0.38257488500254,0.0202229998490845,11.541720598454145,2.9142167066662696,7.315076225449898,0.2297229515914714,6.598176710798416,14.66573651085223,0.7866794936125416,6.304565287919484,0.20035939728286,28.400711499301064,6.598176710798416,14.66573651085223,0.7866794936125416,6.304565287919484,0.20035939728286,28.400711499301064,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,89.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.4095224812162206,4.058608112133369,4.729954982422117,5.406914774502302,6.076370663272067,6.728792610596915,7.35784578298817,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_40,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413836133935679,0.5741003123485515,1.84069333554582,4.304473113554738,6.904578946502747,8.65392930987454,9.572309360038735,10.000592211525747,10.161035759660011,3.382097874041021,0.4366187188540099,0.0189296869795185,16.339040269190708,5.503369485696871,9.450858815638473,0.8416290972055547,3.304344917317065,7.334320383921078,0.4968703223666419,5.182373810100562,0.1483751638159259,20.22716751170835,3.304344917317065,7.334320383921078,0.4968703223666419,5.182373810100562,0.1425324647709827,20.22716751170835,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.4066010039869825,3.9112664599737528,4.452103119345542,5.01736776568864,5.595583771918287,6.176764421162144,6.75293601767044,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_41,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1382704628032152,0.5505219386027266,1.625682759468844,3.630892606579802,5.729049837784964,7.141050119932139,7.883501227350179,8.230100366268525,8.360007424220845,2.884085901312649,0.424025298792067,0.0181023340112971,12.014176350810947,3.8516469523364494,6.879033436209965,0.4868816767850326,13.976249122856974,31.587997570177503,1.4784393721558151,8.70604376019941,0.3075600264311645,49.82299802039727,13.976249122856974,31.587997570177503,1.4784393721558151,8.70604376019941,0.2138713815729922,49.82299802039727,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.433359651408147,3.945822824424064,4.492669113024612,5.062581045268247,5.644470090929073,6.228685032615354,6.807533970396355,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_42,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401530436297008,0.537193587940197,1.4195667365951554,2.9176610118401776,4.482303932324125,5.5490841181807,6.114580171329856,6.379593085317679,6.479083457013248,2.3641212960368687,0.419904846715357,0.0185913973335589,9.368378491402662,2.4910779912816103,5.585535966468681,0.1573313226530325,5.756275683317164,12.914955178539016,0.6446360753389754,4.512720441761951,0.1506613598694774,22.49136689625016,5.756275683317164,12.914955178539016,0.6446360753389754,4.512720441761951,0.1319971391733211,22.49136689625016,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.4850887571556948,4.020236385153384,4.587166363524029,5.173769807566671,5.768646952191107,6.362177587535793,6.946911862378595,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_43,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426685107038741,0.5740664222343482,1.841857764381409,4.255784866149668,6.719415957020559,8.345251091394962,9.191362698115286,9.584465787466904,9.731506133800227,3.362961264200476,0.4374343683701909,0.0192436768315114,15.5339792444312,5.488982874950722,8.965982830651308,0.9679149064182274,3.9559765229975454,8.857665631062387,0.5315765395158493,4.985360987247088,0.1502813393611818,20.61386843068184,3.9559765229975454,8.857665631062387,0.5315765395158493,4.985360987247088,0.1416267133952636,20.61386843068184,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.351991601623848,3.868301131564183,4.419941697334339,4.99476829804835,5.581102868258806,6.1689094919721175,6.750265633410314,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_44,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405348183056465,0.5236042184766558,1.6491931797881896,3.981770787999048,6.575458386853726,8.370458943496919,9.325180658298311,9.772961729810891,9.941103053124698,3.090515323504794,0.4040584739619663,0.0198941034035537,15.19514617429762,4.483930804071546,9.529842173326845,0.6891338040168473,2.052021803287042,4.515580683266907,0.4104043606574085,5.33525668854631,0.1436415262300928,18.46819622958338,2.052021803287042,4.515580683266907,0.4104043606574085,5.33525668854631,0.1436415262300928,18.46819622958338,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.2340757594268754,3.880567245103871,4.552761511527778,5.23322210137467,5.908113357270756,6.567315334331547,7.204039787723197,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_45,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400489641366523,0.4749206364955129,1.240138822738892,2.680591632866784,4.278434100669917,5.398954286039769,6.000148327486316,6.283326740746794,6.3898547467092754,2.1345528368873974,0.3792265066773136,0.0199648833189704,9.084622826359611,1.9669022235573423,5.892384445253391,0.0965754453845717,2.45159072211102,5.149845346776819,0.3647518218414441,3.360544135550417,0.0874819144186623,14.404770821572832,2.45159072211102,5.149845346776819,0.3647518218414441,3.360544135550417,0.0874819144186623,14.404770821572832,15.0,31.05706,2.0,15.0,0.3799999999999999,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.5820012937856123,4.241554666578838,4.91994182838778,5.60081483186534,6.27152193303788,6.923049707733459,7.549562712862063,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_46,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.143116756094427,0.5322011750053265,1.7110227982056347,4.200458605499417,6.959876825948983,8.85361061075059,9.855230359757746,10.32369039933064,10.499382850223675,3.24795270695936,0.4099554364352449,0.020612824041949,16.93196017412759,5.1479004642499095,10.49521796327845,0.9231999001236334,1.988625580158744,4.376073997669485,0.3977251160317487,5.170426508412734,0.1392037906111119,17.897630221428695,1.988625580158744,4.376073997669485,0.3977251160317487,5.170426508412734,0.1392037906111119,17.897630221428695,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.335809966907997,3.9850740086254888,4.65672752376151,5.334175251202478,6.004310145304184,6.657572037517532,7.28756886372895,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_47,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410211569328082,0.4817900049182088,1.361377688197803,3.1758746006074543,5.200511864325796,6.605492509311339,7.354044352442009,7.70543224040268,7.837428013259162,2.481708718130123,0.3826013720644008,0.0202317174915047,11.540645917560685,2.913179932079048,7.315018284102274,0.2295802776721253,6.591066834392587,14.648858403524768,0.786201325182959,6.303702074070277,0.2002463564686681,28.39033590860825,6.591066834392587,14.648858403524768,0.786201325182959,6.303702074070277,0.2002463564686681,28.39033590860825,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,89.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.4104395933632774,4.059614872845777,4.731028981614901,5.408034786574927,6.077517769943239,6.729950683575929,7.359001546367706,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_48,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413490618674474,0.5740931536738201,1.8408193073643857,4.304786101409291,6.90499541384126,8.654376984016782,9.572763982381549,10.00104816272688,10.16149191690281,3.3823526498041097,0.436597515583148,0.0189189440859182,16.340931749141262,5.503944522967944,9.452035488913891,0.8418480706594711,3.303138713840917,7.331493062874482,0.4967911533086336,5.182405644691098,0.1483629840724952,20.22556890836485,3.303138713840917,7.331493062874482,0.4967911533086336,5.182405644691098,0.1425249055292457,20.22556890836485,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.4072621802284986,3.911893634156949,4.452696168059659,5.017927338198687,5.59611125843447,6.177261812247038,6.7534057309725295,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_49,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1383114645868083,0.55064276366326,1.6258720391549952,3.6311324247257337,5.729423295386039,7.141553202786926,7.884082804943858,8.23072075838311,8.360642701726036,2.884298834628968,0.424123457114476,0.0181120777836104,12.016160866668171,3.8521371951966015,6.880248498847064,0.4869648660002499,13.973221368812302,31.5807831557266,1.478215685993877,8.705389212702515,0.3075062894599165,49.81737397622513,13.973221368812302,31.5807831557266,1.478215685993877,8.705389212702515,0.2138278896554741,49.81737397622513,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.433561871308678,3.945944531293755,4.492718069253704,5.062569719239797,5.644414634960564,6.228604283136988,6.807448483763658,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_50,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140188772198499,0.5372260827364279,1.419255975991415,2.916418347657104,4.480115319014793,5.5463027128057405,6.111499915191683,6.37637605549784,6.475815589325211,2.363230869360378,0.4199492722501411,0.0186009455556892,9.362003881620735,2.488519620672439,5.5819379720045,0.1569229353777873,5.752259452191911,12.905790492911786,0.6442346800093036,4.510105748492263,0.1505599673754757,22.47830309291232,5.752259452191911,12.905790492911786,0.6442346800093036,4.510105748492263,0.1318957687698384,22.47830309291232,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.484806877567879,4.019965833556831,4.586899990768257,5.173504265665764,5.768381310697055,6.361912348810395,6.946648297119334,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_51,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426596252804375,0.5740186594257775,1.8414102265135364,4.254458781960191,6.717205632253128,8.342461069772995,9.188271495565669,9.581234728338972,9.72822277089104,3.3619590633625034,0.4374082743471086,0.0192410145271406,15.524769954089242,5.485391004079147,8.960935437420808,0.9671769050539584,3.9624422426029593,8.872656925254823,0.5320583913851525,4.985937707174542,0.1503557967195329,20.625585438087526,3.9624422426029593,8.872656925254823,0.5320583913851525,4.985937707174542,0.1416658312146247,20.625585438087526,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.352226261586841,3.868641136361312,4.420370054978508,4.995267949574874,5.581657561794154,6.1695044146804765,6.750887759217445,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_52,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405521732054223,0.5235591430370786,1.6489109978661287,3.981268780684753,6.57489656908618,8.369906809400522,9.324643759038873,9.772433795534733,9.940578747990754,3.09006918881296,0.4040416844398046,0.0198997643128962,15.193426993219296,4.482423393791401,9.529277986179578,0.6887352350555793,2.0515340251163567,4.51450730203785,0.4103068050232714,5.333988465302529,0.1436073817581448,18.46380622604721,2.0515340251163567,4.51450730203785,0.4103068050232714,5.333988465302529,0.1436073817581448,18.46380622604721,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.234248412939609,3.880756827956832,4.5529676775325125,5.233442968835754,5.908346195589444,6.567557093736949,7.2042874538433175,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_53,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400301533089755,0.4748833132511784,1.2400691279928728,2.6805450285951893,4.278476062464309,5.399074110091093,6.000312528757395,6.2835122481199415,6.390048322256861,2.1344878454226297,0.3791945474611844,0.0199596147868864,9.085315609507091,1.967012539954773,5.8928952867326325,0.096568084089062,2.45316534612008,5.1531187021233,0.3649685072515399,3.362280412572781,0.0875263177068465,14.412949834759676,2.45316534612008,5.1531187021233,0.3649685072515399,3.362280412572781,0.0875263177068465,14.412949834759676,15.0,31.05706,2.0,15.0,0.3799999999999999,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.5817178781606427,4.241225966860188,4.91958303078266,5.600438283570161,6.271137221762262,6.92266402487929,7.549181295282549,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_54,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1431077914512772,0.5322713630122787,1.711273802877754,4.2008771366574855,6.960387834099613,8.854158934247113,9.855793096325192,10.324258897658858,10.499953366529914,3.248321576167347,0.4099946592613256,0.0206092461723881,16.93404634660224,5.149138183277568,10.496407938008756,0.9238827018568836,1.9883319422518624,4.37542783218622,0.3976663884503724,5.169663049854841,0.1391832359576301,17.89498748026676,1.9883319422518624,4.37542783218622,0.3976663884503724,5.169663049854841,0.1391832359576301,17.89498748026676,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.3366440459039644,3.9859440640497774,4.657619112504524,5.335075348978201,6.00520770243218,6.658458110763268,7.288436503168737,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_55,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409832719316743,0.4817443327960448,1.361500273529625,3.1761480538542424,5.200677145758217,6.605494324486873,7.353940703834131,7.705275682038504,7.83725108191865,2.481962472616625,0.3825494031887992,0.0202210229755396,11.541589061228104,2.914092280282349,7.315048123556467,0.2296935081728981,6.598102527009612,14.6654757004686,0.7866989970706644,6.3049273494245845,0.2003639515583416,28.401926654635982,6.598102527009612,14.6654757004686,0.7866989970706644,6.3049273494245845,0.2003639515583416,28.401926654635982,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,89.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.4097501509467096,4.058869072578049,4.730243201794598,5.407223920121239,6.076694668909662,6.729126008404777,7.358183856667665,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_56,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413838906212235,0.5741221347143667,1.8407522908512588,4.304531010238165,6.904579741355335,8.65387370261417,9.572220163357247,10.00048657759558,10.16092385196753,3.382164373217513,0.4366339088013568,0.0189289024524094,16.33923084555824,5.503512827343087,9.451028438019792,0.8417928321660573,3.30423655165997,7.334069307824493,0.4968405626938828,5.181874921539046,0.1483613057182082,20.225702683416728,3.30423655165997,7.334069307824493,0.4968405626938828,5.181874921539046,0.1425169468198452,20.225702683416728,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.406521037485468,3.9111872317637695,4.4520228631650784,5.0172855727222005,5.595499497786346,6.176678514039825,6.752849333338755,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_57,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.138268419830414,0.5505479144401139,1.625728906824993,3.6309543425041744,5.729152007036504,7.141189341000878,7.883662259574853,8.230272048334971,8.360183169240054,2.884139022038994,0.4240429556224582,0.0181008112966109,12.014764135035575,3.8517229944316655,6.87935617539936,0.4868170051560321,13.975336833349916,31.58588925495089,1.4783512311196083,8.705710134113817,0.3075458649102356,49.82017682041017,13.975336833349916,31.58588925495089,1.4783512311196083,8.705710134113817,0.2138713637610317,49.82017682041017,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.433034022425732,3.9454701991668095,4.492293925372452,5.062189804832759,5.644070905741359,6.228287144788763,6.807147307587569,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_58,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401050843181665,0.5371211613992367,1.4194444390027037,2.9174261244183888,4.481968709446315,5.548688630584381,6.114154558145006,6.379153698467382,6.478638950055463,2.3639265046834304,0.4198357683297684,0.0185784835160903,9.367329674057162,2.490629436630869,5.5849612733285845,0.1572592263114473,5.756821564111089,12.916173200297449,0.6446847199351002,4.512781680697675,0.1506649351185986,22.4927596195484,5.756821564111089,12.916173200297449,0.6446847199351002,4.512781680697675,0.1319933107555944,22.4927596195484,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.484806465197444,4.019905836313745,4.586791826595957,5.173357805411111,5.76820511332231,6.361713794570556,6.946433689259329,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_59,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426637999346753,0.5740526698895124,1.841812273351624,4.255618565144172,6.719109545215386,8.344851932940394,9.190915706704295,9.5839967000113,9.731028803176242,3.36284357932843,0.4374225136327176,0.019242700998709,15.532650454653234,5.488572484143752,8.965234564883314,0.9679386656070412,3.957106274867245,8.860287428322891,0.5316562466898771,4.985354385639521,0.150291536678071,20.61565617837101,3.957106274867245,8.860287428322891,0.5316562466898771,4.985354385639521,0.1416296836436377,20.61565617837101,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.352574116982742,3.8689557600269495,4.420655317132863,4.995526651343212,5.5818919237149975,6.169716325724091,6.751078890535763,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_60,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405350727312435,0.523592141534685,1.6491050240750034,3.981597468371328,6.575244950675905,8.370229827907119,9.324945132811427,9.772723501090136,9.940863850020127,3.090365667662698,0.4040527983520158,0.0198942157720775,15.1942895273495,4.48345722754288,9.5294416630333,0.6890236452944406,2.051854419294972,4.515212346088389,0.4103708838589943,5.334821490166926,0.1436298093506478,18.466689773654743,2.051854419294972,4.515212346088389,0.4103708838589943,5.334821490166926,0.1436298093506478,18.466689773654743,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.234011188041812,3.880496843488317,4.552690957230264,5.233155278809119,5.90805258692808,6.567261745971239,7.203993683018787,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_61,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400500839785883,0.4749137745229942,1.2401072861325786,2.680505379383659,4.278275720367215,5.398742552820013,5.999907568258239,6.283072255595006,6.389595091652354,2.1344890196717565,0.3792228840002972,0.0199652894144738,9.084418017806843,1.9667574951544244,5.892355029626784,0.0965613559111213,2.4518046743177604,5.150277311168535,0.3647747023983456,3.360622574061221,0.0874835514505548,14.405481888482246,2.4518046743177604,5.150277311168535,0.3647747023983456,3.360622574061221,0.0874835514505548,14.405481888482246,15.0,31.05706,2.0,15.0,0.3799999999999999,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.581552034611481,4.241077570679829,4.919453795835909,5.600328799337566,6.271047082452682,6.9225921082231245,7.549126044375887,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_62,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430947296961187,0.5321837301368694,1.7110314215038875,4.200458071483482,6.959854802333567,8.853574649789572,9.855187474412636,10.323644376604497,10.499335666681429,3.24795867695384,0.4099331803180188,0.0206063443863573,16.932031651407435,5.147853270848522,10.49534300847993,0.9231866952012042,1.988599718501245,4.376017087747352,0.3977199437002489,5.170359268103236,0.1392019802950869,17.8973974665112,1.988599718501245,4.376017087747352,0.3977199437002489,5.170359268103236,0.1392019802950869,17.8973974665112,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.3358300970098176,3.985109790145812,4.656778178016851,5.334239176263203,6.004385309609454,6.657656274530993,7.287660065720156,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_63,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409312472321121,0.481645722095756,1.3612054054660625,3.175727174694438,5.200421108453608,6.60544671401416,7.354023364870012,7.705423024817348,7.837423235992489,2.481546691709932,0.3824665751964617,0.0202062109732046,11.540205095432595,2.912935690887078,7.314853690150778,0.2295543991091529,6.590227209081365,14.646959135098324,0.7861165454517842,6.3031646693169145,0.2002260572633798,28.38757571887644,6.590227209081365,14.646959135098324,0.7861165454517842,6.3031646693169145,0.2002260572633798,28.38757571887644,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,89.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1852,3.410136547781488,4.059279028820432,4.730671450002822,5.4076650617370206,6.077143491435281,6.729577737229646,7.358634307623205,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_64,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413474650160774,0.5740635217507423,1.8407206527726607,4.304653910735587,6.904874742418794,8.654275496611392,9.572674891224972,10.000965295144791,10.16141144695072,3.3822249715550625,0.4365786671348262,0.018918984188967,16.340375208337594,5.503576934390902,9.45177581712185,0.8417242089963751,3.303628193520243,7.332597220668505,0.4968499092132259,5.182839605739501,0.1483766648672083,20.227719035773216,3.303628193520243,7.332597220668505,0.4968499092132259,5.182839605739501,0.1425345611754307,20.227719035773216,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.407446461275152,3.9120790839993824,4.452882154282122,5.018112822757296,5.596295016285863,6.177442589740802,6.75358234663435,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_65,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1383207015327442,0.5506457822525418,1.6258605776330797,3.631094931968327,5.729376158294112,7.14150869062497,7.884042045057471,8.230682242563542,8.36060510299378,2.884269361510061,0.4241286966584768,0.0181150099734421,12.015793596870862,3.852124658545817,6.880030436433113,0.4869874054832468,13.972816097160432,31.579829716963587,1.4781766550387634,8.705179899568481,0.3074972848808904,49.816105845993256,13.972816097160432,31.579829716963587,1.4781766550387634,8.705179899568481,0.2138230447841078,49.816105845993256,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.433551197714276,3.945904634276455,4.492651293226907,5.06247887139984,5.644302493283493,6.228473250175201,6.8073004021882335,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_66,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401393288025411,0.5371751787089674,1.4192321290172425,2.916351379445797,4.479978218723135,5.546118349657084,6.111291491981841,6.376156623739897,6.475592069520566,2.3631857683743727,0.4198925155510767,0.0185870567316158,9.36185621586428,2.4883735989945173,5.581891370094321,0.1568892906852939,5.75212757634411,12.905476730049156,0.6442177209013584,4.509980546126407,0.1505560348180754,22.477637301222664,5.75212757634411,12.905476730049156,0.6442177209013584,4.509980546126407,0.1318953798910697,22.477637301222664,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.4847753797433065,4.019908721430641,4.586820433302829,5.173405914316582,5.768267857333229,6.36178724041851,6.946514580392817,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_67,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426839098085432,0.5740701071400471,1.8414820950636168,4.254488614427936,6.717171222356785,8.342381702948577,9.188168592112424,9.5811209053053,9.728104868759694,3.3620089092424625,0.4374525049075609,0.0192474811973646,15.524777367055869,5.485460730548046,8.960864655064544,0.9672236017121538,3.962603291912607,8.873005097528829,0.532046731411195,4.985423107428752,0.1503436684057191,20.624460922438995,3.962603291912607,8.873005097528829,0.532046731411195,4.985423107428752,0.1416530973428419,20.624460922438995,34.0,78.89605999999999,3.0,16.0,0.7599999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1852,3.352060821747181,3.868431019010744,4.420121583670118,4.994988327995316,5.581354051236647,6.169183809564683,6.750556103737309,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_68,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160320712554086,0.9181537564450188,2.322562875983554,4.612648420057181,7.002984706922952,8.640435146360812,9.511070716968254,9.919679954659667,10.073174015164229,3.768774597230865,0.7164977336366689,0.0229813891762909,15.973929955445948,7.373748684777084,9.181697051785765,1.973532771980148,2.100382044108325,4.621999907926663,0.420076408821665,5.4609933146816445,0.1470267430875826,18.903438396974924,-2.100382044108325,-4.621999907926663,-0.420076408821665,-5.4609933146816445,-0.1470267430875826,-18.903438396974924,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.692485109216143,10.4688672180205,11.218054177738804,11.937361411245844,12.624716103619129,13.27870231567986,13.898556402310025,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_69,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167067468357878,0.9139223499541655,2.237056984556721,4.283623807282719,6.360531169528614,7.763058029841317,8.503851137824151,8.850510229936003,8.98057694213475,3.5383833375279305,0.7156326223211197,0.0230797147340433,13.930915769923086,6.605120414316936,8.076573198127882,1.832177161831228,2.183858844802403,4.803328349215367,0.4355588870546728,5.648923830746861,0.1520574882592768,19.58074380696735,-2.159601206686248,-4.754681354008087,-0.4331331232430572,-5.64407230312363,-0.1519847153449283,-19.510396656430505,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.780734989832556,10.535608870767238,11.26843759386739,11.975331705223862,12.653240251407055,13.299997686208307,13.914281356789198,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_70,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016431406413777,0.7595611958506886,2.432309822352176,4.978606383611639,7.406239213284523,8.990711538191318,9.815058241927137,10.198333752794287,10.341762779475514,4.0730795914237845,0.5408470597515684,0.0036672686586154,18.083171233569008,8.353590082650099,10.31442370464341,2.149928589428982,1.30148317153925,2.816579262744039,0.2360030470378339,2.800810151521665,0.0748271185368366,10.231439720382271,-0.8156114261389295,-1.8421974883658745,-0.1874158724978019,-2.703635802441601,-0.0733695033006357,-8.822411658721343,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.081340457872082,8.825651302850721,9.562433967790875,10.289134777693118,11.001983727470115,11.696840768320348,12.369826526601862,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_71,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2203209421040073,0.9264309325137888,2.3567035090240203,4.827508893813951,7.476785543375195,9.294825424572508,10.259093494467274,10.710855784042968,10.880418648499123,3.9030438390293374,0.724254127321757,0.0238461475273669,18.14972970350385,8.003875905934253,10.496230628518187,2.0256468278123894,1.8512279304824308,4.073723324878975,0.3702455860964861,4.81319261925432,0.12958595513377,16.661051374341877,-1.8512279304824308,-4.073723324878975,-0.3702455860964861,-4.81319261925432,-0.12958595513377,-16.661051374341877,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.591502431565836,10.363233212814931,11.109169198750738,11.826370913273388,12.512572156500138,13.166208410949748,13.78639367236464,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_72,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190424462674552,0.9194102131069786,2.278822123484435,4.562269383220783,6.995743170532871,8.66260846183091,9.54605958437805,9.959838403870616,10.115126837635,3.710766332586579,0.7205252807662424,0.0234620358695297,16.309172353147094,7.279772728070588,9.445051363300877,1.8958179838322216,1.8735489479618657,4.122390186615738,0.3744782944664309,4.865671381678236,0.1309933246229491,16.847819328974314,-1.868919045443021,-4.113105241207372,-0.3740153042145464,-4.864745401174468,-0.1309794349153926,-16.834392611669664,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.711289308769809,10.46540302989809,11.197097579616509,11.902738488765202,12.579482146941835,13.225308539665615,13.838981244175708,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_73,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006727962051645,0.757351357712939,2.437511530842666,5.018905394466959,7.512932769899288,9.156265838519142,10.015468773641697,10.415860787815996,10.565838130953312,4.0968462534032986,0.5385266581099183,0.0036075978247471,18.43506629019396,8.446033809699268,10.516301980422432,2.14007182741523,1.1008203708304227,2.40542488022287,0.21145793726263,2.653185678476192,0.071224314232815,9.376308986363084,-0.9266976327613335,-2.0562339176169764,-0.1940456634557211,-2.6183611308623744,-0.0707019460186077,-8.871353045962723,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.21734395953723,8.951172952835902,9.6782403936494,10.396409701790768,11.101938856604823,11.790546378832277,12.458161027055294,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_74,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2943579050146811,1.0700640350040975,2.4098035572157945,4.495506558920348,6.67136326008342,8.163964931910023,8.95789578413668,9.330536384822407,9.47052097586921,3.728350006707273,0.8594459753187549,0.0375603190307721,13.956091336189528,7.525072900778805,7.25046903601549,1.7052211038320737,4.633868321555317,9.7947296753907,0.7205175393419174,7.098015756351778,0.1861938579762856,29.12333393315007,-0.5088584502803882,-1.522108007825904,-0.3080278150252235,-6.273186478529044,-0.1738214188089445,-17.16120701337127,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.40755332559446,11.366063447938034,12.270875074526646,13.114808830311528,13.89548849878046,14.613675993846297,15.272054216389302,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_75,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2975529642637363,1.0723744852773989,2.3731658321458364,4.3516308237844905,6.382165442973698,7.755469412062308,8.4799264578643,8.818604717074697,8.94561475682054,3.6275169008438857,0.8631445260380242,0.0383607404709232,13.137664356473602,7.198942056101396,6.877628696242668,1.7055768693460536,4.677100645120038,9.878943106623383,0.7236158365771074,7.077174255590791,0.1854903472292223,29.1738651341824,-0.441031507258068,-1.3837728375565617,-0.3000105938985136,-6.229986051668315,-0.1727825241703851,-16.889324237220542,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.442558026362926,11.406463139022982,12.313406287717765,13.157273133731248,13.936483535900823,14.652358996114296,15.307960017630988,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_76,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160412617985356,0.9181982833950824,2.3226837411635715,4.612796778443323,7.003037253516702,8.640381543557629,9.510952568049948,9.919530072256483,10.073012006577924,3.768930050084443,0.7165326680394155,0.0229800534273242,15.973722376699468,7.3740307932995,9.181338713679544,1.973674179599267,2.1006375855989967,4.622562240265043,0.4201275171197993,5.461657722557392,0.1470446309919295,18.90573827039097,-2.1006375855989967,-4.622562240265043,-0.4201275171197993,-5.461657722557392,-0.1470446309919295,-18.90573827039097,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.692628664841342,10.469077687989676,11.2183177917025,11.937667105946415,12.625054754215752,13.279066255368235,13.89893912712875,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_77,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216761241005802,0.9139746679802871,2.237023469852613,4.283366049220235,6.359998608892911,7.762334117270095,8.503027007064778,8.849639631495899,8.979688993443506,3.5382156115641137,0.7156900324446328,0.0230992312114485,13.928401879193972,6.604401431504036,8.075155445939012,1.832207472465506,2.1843980244655694,4.804497893788926,0.4356580369792794,5.650117233678452,0.1520894112103206,19.58506657744622,-2.159966666188879,-4.755502514960103,-0.4332149011516104,-5.645230962023114,-0.1520161171354905,-19.51421563844382,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.780254540155097,10.53519341624567,11.268074871646292,11.97501323818527,12.65295984642113,13.29975053440501,13.914063515448124,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_78,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1015970864116659,0.7594415341904245,2.4321352678891883,4.978105368329173,7.40515400051461,8.989152644950083,9.813233126763707,10.196381152357654,10.339761926653544,4.072734323797546,0.5407385998154544,0.0036635875398179,18.078370996210943,8.351802310311847,10.311672593885117,2.1496326958217047,1.3026713328687267,2.8191530832885885,0.2362197743082122,2.8033976510858967,0.0748962834829036,10.240857967621023,-0.8163814875580666,-1.843932838807232,-0.1875907897771462,-2.706139682023765,-0.0734374139469716,-8.830617416220111,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.081181794453975,8.825553887263661,9.562385802621591,10.289125321518116,11.002004026568311,11.696883430036694,12.369885584529388,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_79,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2203296106771989,0.9264361089558344,2.3566494606687605,4.827070470877979,7.475846580810159,9.293556139443172,10.257657356275717,10.709343632784265,10.878878327527689,3.902771262197992,0.7242606200531146,0.0238490987925391,18.144964588303093,8.002746818128186,10.493205268542695,2.025494624540742,1.8512532064360248,4.073778945929208,0.370250641287205,4.813258336733665,0.1295877244505216,16.661278857924227,-1.8512532064360248,-4.073778945929208,-0.370250641287205,-4.813258336733665,-0.1295877244505216,-16.661278857924227,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.591156417706566,10.362943753366858,11.108924280019504,11.826162416926842,12.512394303083564,13.166056818685028,13.786264817944788,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_80,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190591168527683,0.9194041688957956,2.278626298748226,4.5617404561370805,6.99502104762726,8.661822992151619,9.545257502982649,9.9590320143735,10.114319365423905,3.7103430820226175,0.7205309201192978,0.0234684785232625,16.305860239135637,7.278065078042772,9.443627810510254,1.895567276877703,1.8732078396711047,4.1216498389899225,0.3744153407460989,4.864910930629941,0.1309729765609353,16.845070698564495,-1.8686832959086608,-4.112576183192404,-0.3739628863698545,-4.864006021877453,-0.130959402929648,-16.831949521653407,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.71190507220456,10.466020680459163,11.197715743302917,11.90335563058749,12.58009651785283,13.225918259309289,13.83958441354527,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_81,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006775058884296,0.757358238171063,2.4374173998812263,5.018649649965862,7.512523716418112,9.155746762343782,10.014888582674628,10.41525126035155,10.565217475353744,4.096646019871338,0.5385385841166436,0.0036074777747153,18.433211370321263,8.444957348520838,10.515587314763811,2.139909891963038,1.1002523509594258,2.4042357954996185,0.2113755304573356,2.652457558865318,0.0712054549450115,9.373099834827311,-0.9267535562684348,-2.056296107662465,-0.1940256509882365,-2.61775779992712,-0.0706849585609385,-8.869953330223437,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.21759137465547,8.951440924121057,9.678533723878074,10.396730832834452,11.102287805626595,11.790921229700858,12.458558568699583,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_82,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2942833415001676,1.0700162053743862,2.4098035212802618,4.495524866337653,6.671422602296484,8.164065610865244,8.95802164534857,9.330674692425443,9.470664052922157,3.728360426279457,0.8593846818448686,0.0375357102963279,13.956468036709293,7.524824392732719,7.250937015526429,1.70507751389021,4.633496563915232,9.793931288761009,0.7204581920431032,7.097400329929443,0.1861766368460954,29.12089121500492,-0.5087771793040226,-1.5219094814276115,-0.3079965566007477,-6.272614432628276,-0.1738048483865777,-17.159572473968375,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.40786759795359,11.366363990071768,12.27117253196559,13.11510834696611,13.895791800282204,14.61398287213703,15.272363502535544,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_83,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2975240240569108,1.072350597824381,2.3730294542718395,4.350950161723121,6.38074774561481,7.753519758817157,8.477691651290645,8.816236011213018,8.943195767693215,3.627067786310766,0.8631200191623258,0.0383493475147701,13.131501729986432,7.197246988240572,6.874036944761535,1.7056105787735023,4.6765060300082855,9.87778763697164,0.7235753872687558,7.077511524884088,0.1855012875183932,29.17330035826698,-0.442006258691878,-1.385764816952079,-0.3001270704712767,-6.230637029077949,-0.172798170081301,-16.89331024003449,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.441787034126044,11.405796634370686,12.31281163869026,13.156729298909635,13.93597715437698,14.651881643098458,15.307506372326957,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_84,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161180899375911,0.9183246338201748,2.322766757243259,4.612846028774541,7.003161567568854,8.640599792975072,9.511230224365075,9.919837405357397,10.073330752922397,3.768978025255626,0.7166554599748858,0.0229982488939793,15.97445385089484,7.374575739628351,9.181879152067545,1.97387241622628,2.100299015145325,4.621817198376075,0.420059803029065,5.460777439377845,0.1470209310601726,18.90269113630793,-2.100299015145325,-4.621817198376075,-0.420059803029065,-5.460777439377845,-0.1470209310601726,-18.90269113630793,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.692522900216543,10.46890216608028,11.21808584137722,11.937389592602862,12.624740734928178,13.27872342516358,13.898574099571643,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_85,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167520779274802,0.9140009632328052,2.237115654609045,4.283632622320788,6.360525038085156,7.763052909941603,8.50384863588568,8.850509316641578,8.980576676653282,3.538405495910189,0.71570525240035,0.0230928959566277,13.930692074077454,6.605278448931862,8.076523667918494,1.832356308709964,2.183682646303913,4.802934184735077,0.4355203517132522,5.648386619249444,0.1520429462844284,19.57895698633586,-2.159359095353304,-4.754155005952197,-0.4330879966181913,-5.643521909059322,-0.1519699756315765,-19.50841868857909,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.780493810498212,10.535365991779768,11.26819413364343,11.975089083890602,12.6529998457096,13.29976069777113,13.914048777200325,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_86,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016204046245759,0.7595050483509228,2.432204929101395,4.978420574323074,7.4059706766214175,8.990389075623591,9.81470816400658,10.19797097112414,10.34139526788318,4.072923653424462,0.5407980964187369,0.0036649440947376,18.08204028376453,8.352892215631089,10.313848548783342,2.1497301493740246,1.301953716288083,2.8176062863535454,0.2360928332671344,2.8019298225774447,0.0748571604465427,10.235410937173336,-0.8159955164784403,-1.843051133709293,-0.1874970132861702,-2.704738182615516,-0.0733992858471137,-8.826132157725374,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.081366252718013,8.825687074441978,9.562478408344514,10.289186358903414,11.002040847482489,11.696901886681417,12.369890255058218,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_87,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2202363582650922,0.9262684667468124,2.356540954127639,4.827365127057472,7.476631147668852,9.294654716124908,10.258912540805248,10.71066977028594,10.88023070009332,3.902897263951192,0.7241031690427383,0.0238276134338963,18.14914536143526,8.003214499551358,10.49592389673377,2.025340305221114,1.851381533693957,4.074061336733305,0.3702763067387914,4.813591987604288,0.1295967073585768,16.662433803245616,-1.851381533693957,-4.074061336733305,-0.3702763067387914,-4.813591987604288,-0.1295967073585768,-16.662433803245616,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.59123384387157,10.362990556064611,11.108945722235102,11.826161650007997,12.51237355528884,13.166018012213272,13.786209832778589,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_88,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190036359480841,0.9193067063483616,2.278670588599483,4.562105832138007,6.995581198776394,8.66244800138528,9.545899677660202,9.95967868102842,10.114967170744618,3.710603939232568,0.7204358104806979,0.0234562914672625,16.30865120182534,7.279153431661821,9.444935507887063,1.8955945264276688,1.8735313506970463,4.122347087440187,0.3744725325809067,4.865571810408258,0.1309905903845963,16.84752416520476,-1.868856599526994,-4.112972201201228,-0.3740050574639014,-4.864636860174247,-0.1309765661310862,-16.833967386811608,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.711368316559945,10.4654859935446,11.197185298340374,11.902830701769602,12.579578010662646,13.225406967661383,13.839081118814557,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_89,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1007031982190713,0.7574577961532839,2.437631245873129,5.018987274784736,7.51298125466448,9.156295938911942,10.015490216303222,10.415878392909452,10.565854328890058,4.096942118028117,0.5386188034069673,0.0036091332383751,18.435214882570325,8.44648663769177,10.516331607480154,2.1402931661598306,1.10043517680519,2.4045948432001465,0.2113899197160218,2.6524006842131067,0.0712033948942024,9.373392536900724,-0.9264928639048668,-2.055765710640451,-0.1939956884259895,-2.617612221633042,-0.0706815679555014,-8.86895982948979,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.217360430197001,8.951188713551568,9.678258454998607,10.39643217632567,11.101966972271832,11.79058062822938,12.458201357406624,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_90,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2942835277489172,1.0700334478258242,2.409915523283389,4.495773490873081,6.671740414081283,8.164402808217673,8.95836269819698,9.331016289067597,9.471005663405784,3.728568050713178,0.8593952854364038,0.0375338831604458,13.957884928895751,7.525817372208049,7.251504611857856,1.705439818497003,4.633216773967096,9.793374467545569,0.7204317729107222,7.097382961468242,0.1861770035685615,29.12017654031877,-0.5090894016758584,-1.5225376718778851,-0.3080294622178685,-6.272717360566135,-0.1738070195550298,-17.160579040467816,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.407586805416994,11.366077284038695,12.270876074160572,13.114801656887886,13.89547623316528,14.61366057358442,15.272036768963256,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_91,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2975186345865973,1.0723196726102913,2.37315057772134,4.351662233348788,6.382207261616003,7.755505478523315,8.47995655187023,8.818631433235684,8.945640117116282,3.6275365297106728,0.8630899403865208,0.0383523035593119,13.137832713557192,7.19903048415548,6.877715630267147,1.705668212596737,4.676643963439804,9.87802583318432,0.723570260853742,7.077083633568993,0.1854888290493171,29.17254435480576,-0.4414884260198093,-1.38469063270581,-0.3000562170381806,-6.230075678290377,-0.1727837097201378,-16.890647150330743,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.442458313688642,11.40634526101254,12.313276953098963,13.157137672101255,13.936345944053782,14.652222137044593,15.307825854967788,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_92,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161099742481975,0.9182870091393668,2.322724300269853,4.612739783485066,7.002895091500898,8.640190841470966,9.51073877647928,9.919306028488496,10.072784203187911,3.768907647144685,0.7166228207950841,0.0229999448482493,15.97307745187729,7.374013131301883,9.180961097023568,1.973768094722665,2.100689888428479,4.6226773353610655,0.4201379776856958,5.461793709914046,0.1470482921899933,18.90620899585631,-2.100689888428479,-4.6226773353610655,-0.4201379776856958,-5.461793709914046,-0.1470482921899933,-18.90620899585631,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.692494417216992,10.468947138870105,11.218195532117203,11.937555843855009,12.624955743959964,13.278979732906045,13.898864670343333,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_93,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167438329058741,0.9139704749573874,2.237065823214897,4.283409394724882,6.359986056124292,7.762265399512499,8.502924389269378,8.849520304370124,8.979563268246936,3.538267200738392,0.7156787536328588,0.0230933192160794,13.928677253172898,6.604482745694135,8.075433454344871,1.832293689870782,2.184267999440288,4.80420017561489,0.4356260914115996,5.649636595109756,0.1520763292815931,19.583533977898654,-2.1597178299111275,-4.754966529136026,-0.4331710744586835,-5.644726561203925,-0.1520026787730056,-19.51233848626409,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.780043883042554,10.534971675281264,11.267844578514604,11.974777185167332,12.6527206697916,13.299510543456336,13.913824645183842,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_94,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016231480882957,0.7595333502399617,2.4322431342848287,4.978155263325787,7.405121806365519,8.989061625542833,9.813110736378045,10.196244068930634,10.339619331679591,4.072809930280148,0.5408176019799336,0.0036649215790363,18.078294045742545,8.352089459868257,10.311587037155125,2.1498204946051684,1.302546436386866,2.818888981482876,0.2362002989515485,2.803205014786061,0.074891228368778,10.240069639606494,-0.8163666698703737,-1.8438894923177065,-0.1875823222998993,-2.7059690614827625,-0.0734326890692285,-8.830148316708664,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.08123408701167,8.825597745375164,9.562421455658368,10.28915337449929,11.002025296615374,11.696898818320667,12.36989598768224,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_95,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2202915820528748,0.9263867896428496,2.356642944794189,4.827117182924299,7.475938798848763,9.29367933498358,10.257797325928456,10.709491564909978,10.879029266298984,3.902800556231768,0.7242086723021458,0.0238391013871193,18.14552861345131,8.002815292668348,10.4936598986902,2.0254783129341,1.8510578426081432,4.073349037667034,0.3702115685216285,4.812750390781171,0.1295740489825698,16.659520583473288,-1.8510578426081432,-4.073349037667034,-0.3702115685216285,-4.812750390781171,-0.1295740489825698,-16.659520583473288,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.59122904587288,10.363048082578285,11.109061160802405,11.826330565280502,12.51259098683358,13.166278453099595,13.78650743299534,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_96,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190429537284382,0.9193740992034312,2.2785862410218543,4.561744345697811,6.995099583683587,8.66195623619756,9.54541992124612,9.959208077773232,10.114500543450744,3.7103252829067856,0.7205044018064892,0.023463776977295,16.306245916203668,7.278010000095604,9.443921326703048,1.8954964655972688,1.8733291705229045,4.121921381988577,0.374441937842785,4.8652823330764505,0.1309830314411999,16.84630486273659,-1.8688512452869863,-4.112941216382711,-0.3739941453191932,-4.864386748029267,-0.1309695976654921,-16.83331887955243,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.711964035043778,10.466081595101686,11.197778571471812,11.903420267930091,12.580162750955637,13.225985782025075,13.839652863046798,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_97,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.100675485458147,0.7573517352866778,2.437407478593236,5.01863556997658,7.512516907904357,9.155748822833887,10.014896000619602,10.415261285022368,10.565228490591462,4.096632071621249,0.5385326301295776,0.0036074152012775,18.433161396750386,8.444905515267056,10.515587074139797,2.139899512586843,1.100134660428394,2.4039927081571246,0.211360139454454,2.652347093964429,0.0712026751670668,9.372537593350836,-0.926798807803898,-2.056379789228382,-0.1940265541920044,-2.61767992343953,-0.0706826676091934,-8.869863620739794,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.217528837012079,8.951392630799974,9.678497355440363,10.39670426515874,11.102269168398252,11.790908923889477,12.458551257973186,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_98,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2942694534984283,1.069972141187277,2.409751663687538,4.495487789243476,6.671402145673969,8.164058118083688,8.958021712250835,9.33067847191092,9.470669254233314,3.728317736374664,0.8593472092073208,0.0375331884805239,13.956427854648195,7.5246257905954,7.250996064464827,1.705020875278825,4.633285194975304,9.793492874929823,0.7204303619238981,7.097196047392066,0.1861713267799469,29.11986809723106,-0.5088532144422402,-1.5220500861907718,-0.3079973199596108,-6.272465377983743,-0.173800366738822,-17.15937758752685,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.40807102281224,11.36658077324438,12.271395948951682,13.115333434228798,13.896015013662636,14.61420176644363,15.272576463059876,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_99,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2975879406106506,1.0724506440420467,2.3731354067506167,4.35101475481071,6.380770805025429,7.753522101694515,8.477685378657522,8.816226217492172,8.943184733201337,3.6271492964316856,0.8632147746652592,0.0383666820922206,13.131582548327348,7.197525634226687,6.874036999849774,1.7057246621596096,4.676467423609677,9.877681161730592,0.7235568699488424,7.077151618874068,0.1854912924578723,29.172293766244103,-0.441751276765468,-1.385225235817332,-0.3000868701261867,-6.230233150718963,-0.1727875154355456,-16.8916745371322,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.441528774301116,11.405527288651092,12.312539634639837,13.156460510494597,13.935715501477128,14.651629608114202,15.307265408581262,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_100,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160812174873408,0.9182415603092094,2.32264199579392,4.612706274315591,7.003033098654987,8.640482737544165,9.511119346895994,9.919729378676209,10.073223785076616,3.768838810798772,0.7165815758532104,0.0229917035465715,15.973923265744968,7.3740540024800465,9.18163206963647,1.97365897118566,2.100515238654849,4.622293009452407,0.4201030477309699,5.461339620502608,0.1470360667058393,18.90463714789364,-2.100515238654849,-4.622293009452407,-0.4201030477309699,-5.461339620502608,-0.1470360667058393,-18.90463714789364,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.692441782411716,10.468847588112068,11.218055882533642,11.937381919750113,12.624752849502777,13.278752805138067,13.89861829183424,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_101,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167241243372255,0.9139390787153828,2.237059342444717,4.283623345704335,6.360545745448367,7.763084051103581,8.503882832687758,8.850544444487246,8.980612077552738,3.538380395175192,0.7156497359602667,0.0230870853880103,13.930908552785835,6.605194204640178,8.076605656817875,1.8322739333156668,2.183691966221715,4.802946439793905,0.4355179855715929,5.648309328030456,0.1520407644947773,19.57878282795768,-2.159283812766712,-4.753997596610637,-0.4330771702260925,-5.643427697339455,-0.1519675400344123,-19.507999182938168,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.780674981579995,10.535548644501675,11.268375672538014,11.975267528752852,12.653173834368488,13.299929371573535,13.9142116481991,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_102,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016161120988604,0.7594959782394528,2.4322406700885444,4.978539883024463,7.406174512280878,8.990647332957952,9.81499407679783,10.198269557741554,10.341698565537293,4.073012171837936,0.5407867275723585,0.0036650323677388,18.08296293352842,8.353252506565617,10.314366251225971,2.1497879535783864,1.3018313483648476,2.8173631042557017,0.2360817333053324,2.8019326329253134,0.0748575550192224,10.235125416857764,-0.8161406210121056,-1.843344348900692,-0.1875126605700582,-2.704794487454765,-0.0734004828371641,-8.826622307534814,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.081384644262346,8.825701943795726,9.562489431644291,10.289193702136991,11.002044955616288,11.696903324361855,12.369889601848202,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_103,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2203255093382902,0.9264417895720256,2.356698342459889,4.827454389923365,7.476682762239097,9.294694920680652,10.258949964140475,10.710706523220804,10.880267295881003,3.9030080497147215,0.7242645995139172,0.0238465008614756,18.14925630096603,8.00368605895127,10.495976671936988,2.0256322540201483,1.8512674968017653,4.073810392622119,0.3702534993603531,4.81329549168459,0.1295887247761234,16.661407471215888,-1.8512674968017653,-4.073810392622119,-0.3702534993603531,-4.81329549168459,-0.1295887247761234,-16.661407471215888,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.59131997908017,10.36307098300218,11.109026783353526,11.826247446270298,12.512466422276642,13.166118966527538,13.786318959251291,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_104,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190529456625167,0.9194428027503988,2.278856107657219,4.562269650626338,6.995707594550219,8.662552830571913,9.545994834806129,9.959769727381264,10.115056742453271,3.71078028060402,0.7205538505672515,0.0234622934816564,16.309010856714234,7.279756313963716,9.444981529179236,1.895868014023996,1.8735073231864248,4.12229812806634,0.3744697332147936,4.865557486144912,0.1309902525699804,16.84743029190585,-1.8688726947365968,-4.1130037051342025,-0.3740062703698109,-4.8646305604549465,-0.1309763486846309,-16.83398986940135,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.711271467654791,10.465382480108032,11.197075712897574,11.902716483122196,12.579460897718375,13.22528866583081,13.838963128889752,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_105,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006860253102967,0.757384000875169,2.437538103022288,5.018928602535418,7.512957963510733,9.156292326216589,10.015495733026778,10.415887909641166,10.565865303894451,4.096869464860324,0.5385573382027836,0.003608574752475,18.435197954525464,8.446131157283595,10.516420773429967,2.140148936680683,1.100588895279453,2.4049149754569576,0.2114113701281259,2.6525773134602244,0.0712079286879592,9.374209112921427,-0.9264607167241584,-2.055713102336813,-0.1939985522725964,-2.6177516777491654,-0.0706855441522933,-8.869237395111076,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.217301326028798,8.95113242692521,9.678203278832076,10.396376909412531,11.101910897469768,11.79052342361779,12.458142989074,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_106,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2942919410405716,1.0699816417869512,2.409773704998313,4.495542603530224,6.671436837140424,8.164054725172939,8.957992249363347,9.330635619979631,9.47062119857918,3.728366363216906,0.8593607474335931,0.0375416362195241,13.956435404984344,7.525112893849742,7.25071452835522,1.7052593388651442,4.633653953678825,9.79431221318798,0.7205036167464308,7.098151145936601,0.1861979592801029,29.12316781263132,-0.5092208761589369,-1.5228512793611677,-0.3080713492211216,-6.273433813908379,-0.1738271992996795,-17.162705655908546,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.40770894525252,11.366217601610746,12.27102752965837,13.11495874596368,13.895634793052254,14.613817538779667,15.272189936436384,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_107,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2975704753143704,1.0723963342930043,2.373197061861671,4.351675440287185,6.382217117690461,7.7555232250393535,8.479980759509457,8.818659117181987,8.94566917393152,3.627557472963903,0.8631657986962353,0.0383661871428891,13.137902019333271,7.199112197308296,6.877720702765979,1.7056331950989294,4.677100759168489,9.878955888400728,0.723622374332493,7.077330741495347,0.1854946965821656,29.174263342517023,-0.4411617388081682,-1.384046888046801,-0.3000301252628385,-6.230168282907739,-0.1727872597033514,-16.8900991392729,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.442588405948774,11.406460864542185,12.313379031826804,13.157227319418666,13.936424327032263,14.652290437037184,15.30788521834423,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_108,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160512645295549,0.9181963610456534,2.322672758377937,4.6127995360361735,7.003048112033696,8.640389865189187,9.510956987148434,9.919532089481734,10.073013030890188,3.768927244439367,0.7165344292078808,0.022984841856957,15.9738460066275,7.373995665315109,9.18145552789871,1.973666198071952,2.100768789486155,4.622850961241338,0.4201537578972308,5.461998852664004,0.1470538152640307,18.9069191053754,-2.100768789486155,-4.622850961241338,-0.4201537578972308,-5.461998852664004,-0.1470538152640307,-18.9069191053754,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.69264755546887,10.469091050409183,11.21832661078226,11.937672151727666,12.62505665195124,13.27906552894301,13.898936223952276,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_109,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167454146464978,0.9139725966152408,2.237047440299023,4.283412347148851,6.360058159910063,7.762398752478938,8.503093175891049,8.849706255198397,8.97975574538667,3.538255190380137,0.7156831368835538,0.0230922705728174,13.928607825727626,6.60447981932097,8.075287667980088,1.8322430544107395,2.184136324682504,4.803921622570422,0.435605498563508,5.649432051222683,0.1520709592578699,19.58269917338997,-2.1597009972226484,-4.7549182838226045,-0.4331619658175224,-5.644544985730712,-0.1519976532754904,-19.51183672375639,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.780262631150205,10.53519073120342,11.268060918395522,11.974988361104725,12.652924922645267,13.29970673821703,13.91401214746317,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_110,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016038449577113,0.7594530828999616,2.4320764560648027,4.977961043325504,7.40494574906327,8.988904746285026,9.812964641208136,10.196103067525716,10.339480243264097,4.072616853014467,0.540754635209342,0.0036635289020904,18.07738860234576,8.351339768970574,10.311225796913924,2.149549264256955,1.3027605046887982,2.819330264848027,0.2362278477700402,2.803395236165608,0.0748959857058437,10.241065098968296,-0.8162754413344091,-1.8437185242452343,-0.1875793414346013,-2.7060982234947306,-0.0734365305157805,-8.83025841524057,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.081162911150104,8.825534311253579,9.56236555272079,10.2891045283191,11.001982886073735,11.696862160953357,12.369864397910948,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_111,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.220284240294489,0.926337815971064,2.3565460751013347,4.826993199179448,7.47579875800659,9.293525317933945,10.257634322916958,10.709323954571554,10.87885986067074,3.9026831984596977,0.7241698033946445,0.023841949384301,18.144806510743848,8.002383870280301,10.493233119781117,2.025337637710756,1.8512132124006384,4.073690936974649,0.3702426424801276,4.813154352241659,0.1295849248680445,16.66091891160574,-1.8512132124006384,-4.073690936974649,-0.3702426424801276,-4.813154352241659,-0.1295849248680445,-16.66091891160574,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.59115655985316,10.36295491641773,11.108947182512637,11.826196981105149,12.512439861668383,13.166112315632551,13.786328979847712,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_112,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190668255476105,0.9194132441011236,2.278616327440138,4.561716853408838,6.994983846191395,8.661774738537948,9.545202861012474,9.958974266205177,10.114260433705738,3.7103238026998926,0.7205421924766159,0.0234697006881182,16.30564391932076,7.278010212135186,9.443470921915278,1.895537779842392,1.8732886648081453,4.121829115806321,0.3744322319342855,4.865138503844934,0.1309791208482498,16.84584242060535,-1.8687786442612744,-4.112784585301009,-0.3739812298795983,-4.864236499735559,-0.1309655907866092,-16.832763361019424,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.711893019198143,10.466012336686594,11.19771008165818,11.903351954342009,12.580094351690107,13.225917271438243,13.839584364386743,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_113,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006733314597935,0.7573626122481696,2.437447019606451,5.018664386990453,7.512517211224797,9.15573013973978,10.01486813580482,10.415229367501947,10.565195094604896,4.096668803448375,0.5385374037167985,0.0036072162045396,18.43312044542791,8.445042015581777,10.51545260471446,2.13996159771554,1.100414791454556,2.4045944227823,0.2114086174259108,2.6528942770218387,0.0712172270222686,9.374598330325988,-0.9269279741545507,-2.056678754764351,-0.1940599356959104,-2.618196913561838,-0.0706967665703686,-8.871486560155972,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.217578903759781,8.951433557641483,9.678530385047685,10.396730551423593,11.10228975734619,11.790924743156856,12.458563114970165,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_114,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2943008342766384,1.0700311688771555,2.409800242423239,4.495500356039505,6.671375043920996,8.164000388086372,8.95794651222843,9.330594803936036,9.470582362408663,3.728343419360277,0.8594021137579975,0.0375410282120479,13.956372954087849,7.524726284412871,7.250872391134351,1.7049761818155191,4.633917476555203,9.794770729438566,0.7204957390117389,7.097379369106111,0.1861754022694452,29.121839979287326,-0.5082695804754109,-1.5208792832842644,-0.3079416723943837,-6.272414209079722,-0.1738009248690493,-17.15784353398819,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.407927079111769,11.366434224003529,12.271249551498368,13.115189354636398,13.89587486777415,14.614066712472306,15.272447300311256,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_115,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2975932405503272,1.0723982498641045,2.373021064251223,4.350911718930398,6.38069925288518,7.7534669363608115,8.477636665895796,8.81618000167122,8.94313936978635,3.627036147226835,0.8631787323063704,0.0383730417762114,13.1314605773796,7.197168101707454,6.8739710085963965,1.7055223707587297,4.676991104741863,9.878759998517031,0.7236227649119892,7.077583088904896,0.1855022182613604,29.17464041499565,-0.441500371281251,-1.384746656028587,-0.300075530292634,-6.23051313602227,-0.1727961689681209,-16.891782869212395,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.441948908554602,11.405974075521224,12.31299898561133,13.15692190806052,13.936171396489891,14.652074783274712,15.307696416062877,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_116,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160918150783161,0.9182805446518368,2.322708700225919,4.612747214208663,7.003020354802453,8.640431632553689,9.511048370401712,9.919649262297272,10.073140268954786,3.7688948121037167,0.716613310688782,0.0229921608826414,15.973920238982414,7.374194166978412,9.181623006437109,1.9737760417498973,2.100558258063005,4.622387675897062,0.420111651612601,5.461451470963813,0.1470390780644101,18.90502432256704,-2.100558258063005,-4.622387675897062,-0.420111651612601,-5.461451470963813,-0.1470390780644101,-18.90502432256704,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.692402940928131,10.468808115918412,11.218016039708624,11.9373418320201,12.624712567052851,13.278712353770649,13.898577703857056,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_117,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167405257835395,0.9139931332309404,2.2371118855734204,4.2836305827963885,6.360512083702159,7.763025800966345,8.503812218231804,8.85046815597192,8.980533676250062,3.538404079796837,0.7156963027328542,0.0230881017918661,13.930722355121452,6.6052414761416856,8.076556640811882,1.832365666079241,2.1835725516103013,4.802676662640614,0.4354905156159084,5.64791276123914,0.1520300021595992,19.57748928741745,-2.1590926574872653,-4.753583948569454,-0.4330425262036049,-5.6430167824145325,-0.15195656247723,-19.506497594460647,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.780610097776076,10.535454714526166,11.26825924145147,11.975134176359791,12.653028147535066,13.29977505600942,13.914051674050423,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_118,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016342883923515,0.7595264467444479,2.4322404941749305,4.978491319043463,7.406076813716446,8.990518664842192,9.814850027723136,10.19811855538612,10.341544994867151,4.072981476252759,0.5408191368975275,0.0036666267614665,18.08254820777138,8.353128594618477,10.314133422165552,2.1497823283440867,1.3016981971424726,2.817087207147073,0.2360638714622017,2.8017968813794014,0.0748541092625568,10.234461928338396,-0.8161828378166162,-1.8434201400942207,-0.187512335529616,-2.70469380951423,-0.0733975631845792,-8.82646738629341,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.081402612863124,8.825719779910825,9.562508275873428,10.289213927187664,11.002066495268874,11.696925893518651,12.369912834429323,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_119,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2203014801106329,0.92639347851739,2.3566596181904447,4.827455442241761,7.476710937466891,9.29473464931813,10.258994161379796,10.710752488241225,10.880313875455462,3.9029957555380097,0.7242205251418738,0.0238407073663523,18.14943378882933,8.003630006323831,10.496077072565654,2.025538881734076,1.8511088563664369,4.073461296094875,0.3702217712732873,4.812883026552735,0.1295776199456504,16.659979707297932,-1.8511088563664369,-4.073461296094875,-0.3702217712732873,-4.812883026552735,-0.1295776199456504,-16.659979707297932,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.591527521285396,10.363261499821332,11.109201352842426,11.82640698714982,12.512611812761378,13.166251103206555,13.786438772230126,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_120,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190191273964964,0.919355272769584,2.2787631284841066,4.562215091873748,6.995679755213223,8.662533493012619,9.545977269807985,9.959752404874912,10.115039418748482,3.71071203370427,0.7204758870560128,0.0234581054283638,16.309068118191114,7.279517938617873,9.445121643384168,1.8957331658837169,1.873676039778821,4.122669427899547,0.3745034920099372,4.86599652072509,0.1310020731008133,16.848949685313947,-1.869041720862284,-4.113375625714755,-0.3740400601182835,-4.865069656941782,-0.1309881701440637,-16.83551016045599,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.71133701414937,10.465465805405204,11.19717344396474,11.9028251403938,12.57957726350065,13.22540995479859,13.83908703600224,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_121,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1007008578690713,0.7574447498424184,2.4376213864520824,5.018982619960632,7.512968219850129,9.15627259839533,10.01546037966718,10.415845306591187,10.565819991325297,4.096937469637508,0.5386079811487556,0.003609138421353,18.435232336131016,8.446410868109949,10.516369477969416,2.1402810790302924,1.1003532564929035,2.404404176165139,0.2113682071268148,2.652059806759168,0.07119409035942,9.372330213958412,-0.9263043730575856,-2.0553613238574497,-0.193963318783283,-2.6172500300721047,-0.070671943709114,-8.86758845199599,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.217365606383142,8.951195081898732,9.678265793025076,10.39644022878924,11.101975494239811,11.790589407266742,12.458210221356152,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_122,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2943015182075732,1.070036156937192,2.409891127060447,4.495727031157584,6.671670672801136,8.164316060943706,8.958266705561657,9.330915925910428,9.470903654402145,3.728529316656711,0.8594039715684579,0.0375401900056767,13.957504570345382,7.5257178519102865,7.251289867394432,1.7054527530486652,4.633146972736591,9.793253942815898,0.7204338945832158,7.097589029434544,0.1861831137184785,29.12053147751189,-0.5093429371593977,-1.5230625133855382,-0.3080640873959818,-6.272990699999879,-0.1738141387769584,-17.161877711552005,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.40739323043097,11.365887462743114,12.270691012960484,13.114622356139275,13.895303565603728,14.61349525651666,15.271879372437972,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_123,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2975361310970718,1.072376616198292,2.373205937911182,4.351696430813087,6.382230651091762,7.755526716550921,8.479977990454648,8.818653246118268,8.945662114003412,3.627577326424903,0.8631404571576308,0.0383531853500528,13.137800417078644,7.199179375201174,6.877647071104192,1.705724111932613,4.676572628101415,9.877885559056995,0.7235642916029278,7.077097787616797,0.1854894619073031,29.17240915274144,-0.4415835595075001,-1.3848832758981784,-0.3000669459188551,-6.23012391191957,-0.1727848537718446,-16.89099653573879,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.442313547754663,11.406217606403008,12.313164032834989,13.157037361437265,13.936256418373194,14.652141864406447,15.307753564342985,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_124,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160530326397966,0.9181984811423124,2.322639419731444,4.612702988146498,7.002921449613756,8.640260305395055,9.510830579925784,9.919408151567913,10.07289017458996,3.768850238625148,0.7165377732244813,0.022985057039838,15.973219693644714,7.373769414783117,9.181102583212814,1.9736122175299529,2.100702026731597,4.622704046328269,0.4201404053463194,5.461825269502151,0.1470491418712116,18.90631824058437,-2.100702026731597,-4.622704046328269,-0.4201404053463194,-5.461825269502151,-0.1470491418712116,-18.90631824058437,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.69248387005128,10.46893672355801,11.218185779869708,11.93754713585428,12.624948323023386,13.278973722784212,13.898860100092266,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_125,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167397208995126,0.9139594261829924,2.2370524714374267,4.28340348301878,6.359986336172655,7.762269805461116,8.502931130603288,8.849528188741749,8.979571590441243,3.538258692458251,0.7156696782009914,0.0230921109425346,13.928559184842651,6.604484011201167,8.075273272225884,1.832268128503057,2.1843591248983003,4.804405091817821,0.4356465663233406,5.649927516983914,0.1520842154431468,19.584491346049223,-2.1598539517719124,-4.755261682474968,-0.4331960490107018,-5.645026482358637,-0.1520106999237677,-19.51342634398269,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.780061459604202,10.534992810243835,11.267870738161143,11.97480904302527,12.652758314612225,13.299553663346485,13.913872679024324,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_126,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016344951604045,0.7595505160901829,2.432228760145124,4.978109724569404,7.4050611046955455,8.988994367382986,9.813040613264263,10.196172701054028,10.33954750982757,4.072772951771405,0.5408369706408112,0.0036659338301604,18.07790963569425,8.351944625756063,10.311427485564106,2.149803083121666,1.3024418736668393,2.818653573724129,0.2361766639794902,2.80286781344072,0.0748820849515806,10.23896250701502,-0.8162076585892875,-1.843544891781155,-0.187553242471735,-2.7056209704252097,-0.073423382306348,-8.82888328329012,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.08122399685356,8.825583083470121,9.56240178669108,10.289128752552596,11.001996105347702,11.696865632931356,12.369859469629056,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_127,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2202974894441365,0.9264012414689764,2.3566491665214846,4.827104216321019,7.475898391384526,9.293617439837336,10.257723386197265,10.709411849349586,10.87894736237881,3.9027956439870986,0.7242232126407621,0.023838369984046,18.14526567388696,8.002806817593608,10.49343749740578,2.0254824076949327,1.85109398884897,4.07342857934958,0.370218797769794,4.812844371007322,0.1295765792194277,16.659845899640732,-1.85109398884897,-4.07342857934958,-0.370218797769794,-4.812844371007322,-0.1295765792194277,-16.659845899640732,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.591196664639025,10.36300625558714,11.109009949165651,11.826270509181937,12.512522966499596,13.16620355151937,13.786426820237269,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_128,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2189847376962649,0.9193237762524118,2.278575587875069,4.56175291433052,6.995125004652755,8.661996656909258,9.545469472180766,9.959262169239205,10.1145563808514,3.710328515573496,0.7204463037260566,0.0234447342733104,16.306351378358425,7.277921394555805,9.443942516266349,1.8954481246857733,1.87330451313739,4.1218623839987245,0.3744345780742316,4.865159944879303,0.1309796784689421,16.845934820488484,-1.868778022072464,-4.112784823022389,-0.3739819289677391,-4.864254646666318,-0.1309660989957473,-16.8328079964002,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,9.71200091248108,10.466105460473754,11.19779082293667,11.903422362744646,12.580156129344688,13.225971811223554,13.839632801407854,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_129,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006615496825549,0.7572893905218496,2.437328446099719,5.018598907219948,7.512538673686741,9.155812852322878,10.014982942643996,10.415359068386207,10.56533036005366,4.096576818423245,0.5384811380590924,0.0036069482424862,18.433283204889367,8.444669355237702,10.515619606585782,2.139749849553455,1.1003923556412627,2.404551046165349,0.2114072024728765,2.652909676938259,0.0712177148957863,9.374583812793428,-0.9269669825337424,-2.056758600174335,-0.1940646651621245,-2.6182246023167544,-0.0706974387764638,-8.87165023078162,10.0,20.0543,1.0,2.0,0.0300000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1852,8.21755544346102,8.951412223442533,9.67850943482667,10.396708845970904,11.10226665174926,11.79089996165022,12.458536635934044,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_130,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2942934355271868,1.06997597414449,2.409699905554161,4.495381627373637,6.671258926636352,8.163891710996644,8.957842979699457,9.330493913359334,9.470482498247543,3.7282277721447983,0.8593585828048288,0.0375431330655689,13.95581945467283,7.524340474925056,7.250602459933452,1.7048883673833215,4.633912994688399,9.794784083825013,0.7205066359970124,7.097650948822944,0.1861830168953577,29.12251929788441,-0.5085011714562557,-1.5213656943129397,-0.3079761972319185,-6.272733318734364,-0.1738092524440288,-17.15920819741748,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.407993211891574,11.366494948369496,12.271305469528508,13.115240762773936,13.895921943725698,14.614109595231067,15.272486118698271,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_131,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.297590417146826,1.0724625097898646,2.3731806272586486,4.3511160558069495,6.380916394252666,7.753692429869336,8.477867598628741,8.816413774576406,8.943374258707646,3.6272316386780887,0.863223610525371,0.0383668042449927,13.132296246608751,7.197843349728219,6.874381834680194,1.705788509892443,4.676552583346064,9.877852166919542,0.7235655243033299,7.077171928332509,0.1854916345597425,29.17254911150034,-0.441668837900475,-1.3850602180473737,-0.3000787599459779,-6.230219868780563,-0.1727873536664632,-16.891443679718513,23.0,51.5353,2.0,2.0,0.0300000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1852,10.441439204852797,11.405440702435037,12.31245628720817,13.15638056447687,13.935639032920728,14.651556623122518,15.30719586017588,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_132,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0076104459128667,0.225364880262723,1.3040964955344392,3.25515088969842,5.134010090899533,6.34835072539828,6.97624265821343,7.267334189476865,7.37613441268843,2.552392435950702,0.1290645241884249,2.780780486704388e-05,10.849291441206876,3.311050521565169,6.68123951941748,0.441135102463863,11.865758779603809,25.51246514532843,1.3301634416238908,8.134612251839382,0.3067042863403395,44.99928676021551,-6.098372975923611,-11.403572245405,-0.9224918000444514,-8.0566698413148,-0.2770861703409988,-34.92746136386562,19.0,47.839,1.0,1.0,0.3799999999999999,27.0,-15.0,-31.05706,-2.0,-15.0,-0.6800000000000002,-74.0,RSM1852,18.46734432761333,19.17303135932192,19.771523311626662,20.281681570861828,20.718754217789417,21.09509946357701,21.42076028237912,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_133,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.007609660167436,0.2253722679713982,1.3041156183127838,3.255101357202702,5.133903633257253,6.348225550961077,6.976113589225917,7.267204607234147,7.376004843965878,2.552370132563504,0.1290668519511141,2.7800763777329483e-05,10.8485675439394,3.3108694306206674,6.68081197031699,0.441161415396564,11.865559871896894,25.51216587616335,1.3301205031586631,8.134276024392754,0.30666525054101,44.99750199204302,-6.098292020490466,-11.403328406414577,-0.9225160478063548,-8.056207702421686,-0.2769992881920036,-34.92900156118353,19.0,47.839,1.0,1.0,0.3799999999999999,27.0,-15.0,-31.05706,-2.0,-15.0,-0.6800000000000002,-74.0,RSM1852,18.467920308493024,19.17352483002362,19.77194753363501,20.28204786520868,20.71907207313693,21.09537674976168,21.421003490545004,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_134,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0076086134600812,0.2253608749112234,1.3041331918962622,3.255259627242084,5.134188043839724,6.348573021100488,6.976487567989069,7.267589489928116,7.376393580319385,2.552475361995977,0.1290585661071705,2.7791522208167468e-05,10.849879144541472,3.311321860782656,6.681453269847347,0.4411629512611642,11.866158566493548,25.513387121005707,1.330212417034807,8.135073360378875,0.3067245021883603,45.001125575890086,-6.098352126348614,-11.403467997190756,-0.9225103383996188,-8.05712679073096,-0.2771048057221528,-34.92852828851498,19.0,47.839,1.0,1.0,0.3799999999999999,27.0,-15.0,-31.05706,-2.0,-15.0,-0.6800000000000002,-74.0,RSM1852,18.46718731481065,19.172860763084657,19.77134769903738,20.28150654393632,20.71858331323388,21.094934808214308,21.42060305589292,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_135,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.007607646858927,0.2253522331219671,1.304047007949663,3.254976805506361,5.133746043164809,6.34805209393313,6.975932962620648,7.267020840488874,7.375819929975634,2.5522622762881526,0.1290528124546957,2.778379568994536e-05,10.847925627760512,3.3105668860831363,6.680586290182847,0.4411394612822121,11.865843865948454,25.51288099385168,1.3301431738934388,8.134447986081636,0.3066814422552111,44.99817579754224,-6.0979450260156245,-11.402500430949106,-0.9224939881728978,-8.056371415154004,-0.2770123453027105,-34.92856663421924,19.0,47.839,1.0,1.0,0.3799999999999999,27.0,-15.0,-31.05706,-2.0,-15.0,-0.6800000000000002,-74.0,RSM1852,18.467975888123423,19.17358778664056,19.77201433143001,20.282116008747728,20.719139860747216,21.095443060790608,21.4210676187972,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_136,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0076098246301987,0.2253638819497033,1.304111455239363,3.255188854886994,5.134067726362419,6.348421497513593,6.976320502508985,7.267415386325261,7.376216875070985,2.55242275808734,0.1290626556332196,2.780217977614176e-05,10.84947010237105,3.3111311837428965,6.681289479502127,0.4411504384092386,11.865938485195937,25.512799859246915,1.3301992927382122,8.13497874147593,0.3067110821095266,45.0008209109809,-6.098767448557675,-11.404441829415893,-0.9225404388867078,-8.057044418714478,-0.2770960394601754,-34.92924373012768,19.0,47.839,1.0,1.0,0.3799999999999999,27.0,-15.0,-31.05706,-2.0,-15.0,-0.6800000000000002,-74.0,RSM1852,18.46730130038804,19.1729652622362,19.77144303317402,20.28159330043587,20.71866219988125,21.09500656458,21.420668402161752,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_137,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0076095919937307,0.2253598616090109,1.3040357645692822,3.2549571362859124,5.133738651780771,6.348058480708676,6.975947655411524,7.26703960007073,7.375840241010253,2.5522423303215622,0.1290608505610951,2.7800788438401672e-05,10.847915291151963,3.310524727423608,6.6806531463764,0.4411317675360581,11.865630469857525,25.51244103888808,1.3300966776848837,8.133860832745384,0.3066693073004454,44.996069348184456,-6.097568201877306,-11.401665527593082,-0.9224347157255092,-8.05578470566066,-0.2770003790082498,-34.92610990029806,19.0,47.839,1.0,1.0,0.3799999999999999,27.0,-15.0,-31.05706,-2.0,-15.0,-0.6800000000000002,-74.0,RSM1852,18.46809556869298,19.17370087841001,19.772120247957933,20.282214659794867,20.71923144902261,21.09552795101348,21.42114625507396,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_138,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0076069476130881,0.2253400016489002,1.304098175844407,3.25522234562278,5.1341247985416985,6.348481437441914,6.976378488614966,7.267471727951278,7.376272486197013,2.552441297336628,0.1290437428958218,2.7779507935567456e-05,10.849848118452076,3.311248751951845,6.681426036540981,0.4411219627126689,11.865956463470924,25.512884238502192,1.3302037092471013,8.135115526622453,0.3067169856544092,45.001088235152416,-6.098631983977987,-11.404144136430263,-0.9225357008697078,-8.057175464857982,-0.2770997621839104,-34.92933275013644,19.0,47.839,1.0,1.0,0.3799999999999999,27.0,-15.0,-31.05706,-2.0,-15.0,-0.6800000000000002,-74.0,RSM1852,18.46714393658941,19.17283608282028,19.77133649187622,20.28150495194865,20.718588507900755,21.094944723733924,21.42061618689901,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_139,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0076101733502885,0.2253723606047537,1.3040831638216523,3.2550333255385384,5.133827711570764,6.348152935676318,6.976044561592192,7.26713761357207,7.375938666758446,2.552310858460317,0.1290684699538198,2.780482652056662e-05,10.848273135934772,3.310679621243558,6.680807106621694,0.44116385912202,11.865558182628456,25.512149138853047,1.3301171955741573,8.134187022318828,0.3066651678570444,44.99729544533489,-6.098269364262548,-11.403277055962793,-0.9225070477498584,-8.056127539543825,-0.2770025644025432,-34.92853524737885,19.0,47.839,1.0,1.0,0.3799999999999999,27.0,-15.0,-31.05706,-2.0,-15.0,-0.6800000000000002,-74.0,RSM1852,18.4679301579926,19.17354361889669,19.77197198834732,20.28207567744293,20.719101641882155,21.09540698096309,21.42103364885884,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_140,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,35.0,79.904,4.0,17.0,2.96,120.0,3.219190376322151e-05,0.0149867379566381,0.3162436025476006,1.4966923234138687,3.1204377827053635,4.330882685515712,4.992938952886109,5.306937337694245,5.425362753815048,0.9973780705018414,0.0056311321291922,6.975950252072953e-10,3.5890634027718207,0.7292260537651761,2.306729516160784,0.0214957407816931,26.81511150629752,63.01411341690899,2.20360070865271,12.781309425344894,0.8003837007313048,67.02493340057309,-26.81511150629752,-63.01411341690899,-2.20360070865271,-12.781309425344894,-0.8003837007313048,-61.73666950850992,-6.0,-16.357999999999997,0.0,-1.0,-0.3799999999999999,12.0,-34.0,-78.89605999999999,-3.0,-16.0,-1.06,-89.0,RSM1852,23.225926985914047,23.3143717579492,23.38209898273214,23.43508509922893,23.477304017622824,23.511479197874944,23.539526551469702,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_141,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,35.0,79.904,4.0,17.0,2.96,120.0,3.227009504370253e-05,0.0150036210603959,0.3164698458784967,1.4973645191554,3.121372529345728,4.331884639869723,4.993947138443995,5.307942343180612,5.426365625213677,0.9979032306802724,0.0056384193738359,7.009754767058308e-10,3.591387336914119,0.7298713574334369,2.308062306810339,0.0215264285219447,26.814235701736656,63.01244884082136,2.203460038256285,12.779847071434586,0.8003286234707604,67.0186206693564,-26.814235701736656,-63.01244884082136,-2.203460038256285,-12.779847071434586,-0.8003286234707604,-61.7311388430925,-6.0,-16.357999999999997,0.0,-1.0,-0.3799999999999999,12.0,-34.0,-78.89605999999999,-3.0,-16.0,-1.06,-89.0,RSM1852,23.22445965461921,23.31315300097169,23.381070953279448,23.434206511776143,23.476544645059786,23.510816416705023,23.53894310117935,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_142,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,35.0,79.904,4.0,17.0,2.96,120.0,3.218694529829178e-05,0.0149861656200329,0.3162492368905044,1.4967312892775502,3.120511187864438,4.33097514716476,4.993040021704212,5.307042101590126,5.4254688508690965,0.9974037548918322,0.0056308015459225,6.973534164967337e-10,3.589271883666702,0.7292643058120696,2.306858318690842,0.0214956438412805,26.815621589681047,63.01524828752999,2.20365606756406,12.781508954569974,0.8003792088068022,67.02639507799371,-26.815621589681047,-63.01524828752999,-2.20365606756406,-12.781508954569974,-0.8003792088068022,-61.73854525814182,-6.0,-16.357999999999997,0.0,-1.0,-0.3799999999999999,12.0,-34.0,-78.89605999999999,-3.0,-16.0,-1.06,-89.0,RSM1852,23.2259017161091,23.31435072769814,23.382081215684625,23.43506989561168,23.47729086327536,23.51146770682517,23.539516428501923,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM1852_143,RSM1852.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,35.0,79.904,4.0,17.0,2.96,120.0,3.2263550764695975e-05,0.0150009312368817,0.3164250864265028,1.497218710935741,3.1211428069721423,4.331611418216673,4.993654556327643,5.307641462445403,5.426061748832785,0.9977933866417672,0.0056373903632742,7.008089282273662e-10,3.590895552439099,0.7297402828007308,2.3077855499524267,0.0215214835556501,26.813683007927867,63.01123663001803,2.203397249563548,12.779562016723755,0.8003296295088752,67.01680302824352,-26.813683007927867,-63.01123663001803,-2.203397249563548,-12.779562016723755,-0.8003296295088752,-61.728964349848994,-6.0,-16.357999999999997,0.0,-1.0,-0.3799999999999999,12.0,-34.0,-78.89605999999999,-3.0,-16.0,-1.06,-89.0,RSM1852,23.22442096815975,23.31312072745809,23.381043638466693,23.4341831057513,23.476524372138137,23.51079869210701,23.53892747612392,S1Cc2ccc(cc2)CSCc2ccc(C1)cc2.[Cu]Br.cat1,"linker S1Cc2ccc(cc2)CSCc2ccc(C1)cc2, nodes [Cu]Br, topology "
RSM0478_0,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0051213536426045,0.2238909113236449,1.3813033799378032,3.578587929764006,5.751300996989124,7.166519485491655,7.899793338661071,8.239952861552416,8.36711977184903,2.776691239887542,0.1239048618916679,6.394609949651049e-06,11.391288078107404,3.827328526863398,6.86439584906792,0.5271187700010105,21.291430846950423,45.43503886348634,2.1607625602058724,6.316194755108294,1.2642172551409891,62.79622497965892,-21.291430846950423,-45.43503886348634,-2.1607625602058724,3.4224686714025907,1.2642172551409891,-62.79622497965892,-20.0,-42.694,-2.0,6.0,1.53,-53.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0478,20.370320662064827,20.82115997785644,21.18005354722815,21.46984863795869,21.706862976455447,21.902955413257608,22.066885742494726,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_1,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0051202880549813,0.2238298642800966,1.3803855834324026,3.57531667194645,5.745339676455826,7.158701892807112,7.890992633798045,8.230692195046235,8.357686583735717,2.7743380233656776,0.1238803087701333,6.386217788244188e-06,11.380253455300874,3.820188155216298,6.860268595410576,0.5260639074275782,21.290220923943668,45.43236226086964,2.1605078131974187,6.314857208030515,1.264303819010505,62.78444230410095,-21.290220923943668,-45.43236226086964,-2.1605078131974187,3.425716570476981,1.264303819010505,-62.78444230410095,-20.0,-42.694,-2.0,6.0,1.53,-53.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0478,20.27238877620454,20.737937607970128,21.1085665791097,21.407848993771275,21.65262706626628,21.85514367210333,22.02444371863579,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_2,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0051202317814306,0.223808581169157,1.380289675762713,3.575173197984228,5.74514854436871,7.158465629328714,7.890728465619954,8.230414090679568,8.357403113667104,2.7742082856750008,0.1238692027736675,6.3884757808210855e-06,11.37935263948238,3.81980714293187,6.859857161351912,0.5260025383876785,21.290051359731528,45.43200425427632,2.1604885183963547,6.314833824232014,1.2643415448057016,62.78393948908717,-21.290051359731528,-45.43200425427632,-2.1604885183963547,3.4260404930976374,1.2643415448057016,-62.78393948908717,-20.0,-42.694,-2.0,6.0,1.53,-53.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0478,20.263027548832955,20.730046625163464,21.101831790384463,21.402038524834627,21.647566256839696,21.85069863674592,22.020510229649304,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_3,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0051192974465217,0.2238645733507428,1.3812630243216173,3.5785350967950107,5.751183347125577,7.166338591427011,7.899575299534797,8.239716815436264,8.366876884095337,2.776649064919547,0.1238857420979907,6.387404678555292e-06,11.390818458499284,3.8270368702498208,6.864293727828675,0.5270864010856978,21.291323614316,45.4348105709863,2.160748546595708,6.3161618516410805,1.2642382869629067,62.79578019011954,-21.291323614316,-45.4348105709863,-2.160748546595708,3.422688012918351,1.2642382869629067,-62.79578019011954,-20.0,-42.694,-2.0,6.0,1.53,-53.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0478,20.3500550998762,20.804064855187416,21.165456314570907,21.45725027944689,21.69588663146107,21.89331181823041,22.05834956505256,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_4,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1501158369291469,0.6086322235384158,1.7845864272051128,3.83497595938443,5.97744824174001,7.437788833195053,8.211790573377552,8.57448823028549,8.71064624459142,3.0768507694498592,0.4646123443930853,0.0210059499850106,12.399415567875916,4.312512043542653,7.785443676579133,1.0643990842681603,4.488493416630759,9.749805405565338,0.7723558707603612,10.567737701364306,0.5376158283846877,31.66513073350691,4.488493416630759,9.749805405565338,0.7723558707603612,10.567737701364306,0.5362403627851016,31.66513073350691,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0478,3.2091479082932723,3.822947715560812,4.464354477579879,5.117434202206294,5.76899806056891,6.408975258667782,7.030259607429721,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_5,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422686343415233,0.5142374510816584,1.5526888257432276,3.5692656478838787,5.671689834365859,7.077984650003003,7.815038807087083,8.158610404256383,8.287303674007434,2.8174549450333424,0.4006278074816136,0.0204121426548271,11.367530565545852,3.464909414603967,7.206882441602036,0.5976764386698837,5.154831688119236,11.157061226741522,0.8500581333447238,11.955296754877027,0.7028832870421068,33.729910893534495,5.154831688119236,11.157061226741522,0.8500581333447238,11.955296754877027,0.7028832870421068,33.729910893534495,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0478,3.1194682830063263,3.718876281734645,4.349691906303079,4.995673397426308,5.643176487541641,6.281640455757201,6.903496499120847,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_6,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1501715881824886,0.6090030457641736,1.7854778380706282,3.8372864446424018,5.980652309053106,7.441142050998683,8.215084367769153,8.577723572395776,8.71385479274856,3.078663204874685,0.4649268463227134,0.0209962153544707,12.404325398558024,4.318658968847146,7.78733033487299,1.0715246864297103,4.4992632235674,9.772413070387929,0.7732401180343146,10.573343199814378,0.5389771772873717,31.678423988005417,4.4992632235674,9.772413070387929,0.7732401180343146,10.573343199814378,0.5374327067765152,31.678423988005417,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0478,3.2156049311703896,3.82967585151866,4.471171861323895,5.124208770940074,5.775636699926957,6.415414715126306,7.036459109521642,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_7,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140837450544116,0.4807597471054189,1.3727208536348947,3.203992302611287,5.202986699073313,6.5695490266914565,7.292274437338404,7.630418287952445,7.757265335190725,2.508221451341208,0.3817422828498507,0.0201860049091299,10.548102576465418,2.7015489949133893,6.83060596384948,0.2816081346997798,6.281450716690641,13.563547604644542,0.947436564615418,10.52607404231648,0.5390107621397691,36.34253559303927,6.281450716690641,13.563547604644542,0.947436564615418,10.52607404231648,0.4929578066408988,36.34253559303927,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0478,3.3412427280067964,4.011569153360261,4.704702367719001,5.402407950358421,6.090599120174325,6.759269052025079,7.40195215332163,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_8,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1927652990157764,0.776545462329868,1.9213187108056216,3.671532945466733,5.4696750234086,6.6983182479255845,7.351100077553497,7.657369024335682,7.77240382961523,3.0329609110491487,0.60619298304095,0.0264720557801827,10.063217011002854,4.189789366607323,6.1116574712400125,1.445215793640013,6.369016121405267,13.6616017310105,0.8950846431053189,11.459899609087223,0.8553155799009751,31.69789883484338,6.369016121405267,13.6616017310105,0.8950846431053189,11.459899609087223,0.8267327151116145,31.69789883484338,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0478,1.9093004652079684,2.396532210324366,2.9373069257347173,3.5193630598637164,4.131013842156479,4.761936927113592,5.403430413011966,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_9,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1928003552598539,0.7766238423217777,1.9214667025502987,3.671612537256979,5.4695280332881895,6.6979806287996215,7.350656016302801,7.656874320699114,7.7718900204117105,3.033090621493751,0.6062602589548144,0.0264811516310368,10.063893692375084,4.190318852822711,6.111658759726889,1.4454837217506995,6.3713961637358,13.666696904981322,0.8953675866660993,11.461339900285756,0.8553789384265682,31.70717751513888,6.3713961637358,13.666696904981322,0.8953675866660993,11.461339900285756,0.8267518375948604,31.70717751513888,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0478,1.9074513469982528,2.394691548036727,2.935456402188525,3.5174953803665607,4.129129645248996,4.760041740207581,5.401532242103931,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_10,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1927677930011647,0.7751653754566231,1.919415006175892,3.672064656201579,5.472756700257291,6.702668034195306,7.355964076640996,7.662438345742956,7.777544551450405,3.032475187063878,0.60516342507931,0.0266096938680905,10.075073985444718,4.1898893736601295,6.116999699582092,1.437211576879044,6.346569204441096,13.613636087695216,0.892300223630699,11.433661787051044,0.8532321347816447,31.60730214898731,6.346569204441096,13.613636087695216,0.892300223630699,11.433661787051044,0.8249045314546762,31.60730214898731,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0478,1.9192818756327752,2.4096377826439226,2.953100345111127,3.537232790475804,4.15025779523373,4.781836259823356,5.423305525321798,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_11,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422903091809154,0.5145354845981978,1.5538297902652192,3.5717675546742145,5.676175012259794,7.0841073940587655,7.822100488890983,8.16612627997858,8.294992204780534,2.8194009710399737,0.4008101966513325,0.0204164656047625,11.384083801064332,3.469985818871148,7.216824928016319,0.5976317025717256,5.1511158458793656,11.149257086966855,0.8496774584075737,11.948535513139957,0.7019170444807693,33.72184285913333,5.1511158458793656,11.149257086966855,0.8496774584075737,11.948535513139957,0.7019170444807693,33.72184285913333,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0478,3.1166330818844528,3.7159320305534687,4.346703445309776,4.9926914314848725,5.6402388068441125,6.278773936585725,6.900719255179528,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_12,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408165905931793,0.4807157497958234,1.371622620662103,3.201071177700104,5.199614475295719,6.56643273446282,7.289415341685846,7.627702363577963,7.754606473607889,2.5058016402738343,0.3817213100387429,0.0201797461821282,10.540252166036195,2.6951403088981323,6.826676005664054,0.2796245542927009,6.26635751688361,13.531786259667705,0.9463517498660816,10.533123797648669,0.5389392896208006,36.3288553568492,6.26635751688361,13.531786259667705,0.9463517498660816,10.533123797648669,0.4933119639890176,36.3288553568492,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0478,3.337558914705157,4.007422886222634,4.700160586713897,5.397552606397138,6.085515435796821,6.754037699641047,7.396644885604624,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_13,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422508025199427,0.5142646425133522,1.5526774925299145,3.568982199309289,5.671243237066504,7.077507923072944,7.814568418881715,8.158147710633044,8.2868446037498,2.81726541042475,0.4006375967878967,0.0204064430269629,11.366231603213716,3.46431775952046,7.206304944217855,0.597691833944749,5.155579571526046,11.15865748874105,0.8501597106499,11.956857256725248,0.7030254607039154,33.733281887862766,5.155579571526046,11.15865748874105,0.8501597106499,11.956857256725248,0.7030254607039154,33.733281887862766,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0478,3.119398495231195,3.7186844017575647,4.349405787846855,4.995317762426709,5.642772242897965,6.281204599168293,6.903042412956102,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_14,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422517108924604,0.5144477485297918,1.5536723359724296,3.571588577577532,5.67600491766413,7.0839500700694655,7.821951466360345,8.165981469223626,8.294849025596415,2.8192239590183736,0.4007369669427205,0.0204056962514966,11.3829305117356,3.4694798815427808,7.216208319494324,0.5975178067658924,5.15077334016274,11.14854268618291,0.8496471327051205,11.947950401803704,0.7018198972515047,33.72143258854473,5.15077334016274,11.14854268618291,0.8496471327051205,11.947950401803704,0.7018198972515047,33.72143258854473,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0478,3.1164742044421234,3.715800873128266,4.346593079414248,4.992597548402793,5.64015851463506,6.278705131523418,6.900660299733604,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_15,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.192785741512977,0.7751921718579113,1.919575031421369,3.672650478421647,5.473798251287682,6.703990767296504,7.357424685273651,7.6639609107231665,7.779089942780358,3.032894717982934,0.6051860215231777,0.0266167059505862,10.079248869333547,4.1913796592718,6.119032575372532,1.437204894441921,6.3469842909224665,13.61454036574807,0.8923637296267521,11.433966179396014,0.8532079095985069,31.609937311491944,6.3469842909224665,13.61454036574807,0.8923637296267521,11.433966179396014,0.8248717617377098,31.609937311491944,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0478,1.917770146266005,2.408128300136424,2.951576626679179,3.535687061791496,4.148688522740754,4.780245790912628,5.421698285494067,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_16,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140823361346914,0.4807668399610367,1.37302818927214,3.2047571977435365,5.204009626081709,6.570672327975788,7.29343461018288,7.631592622020586,7.758444521511021,2.5088467657666165,0.3817332189745983,0.0201819695260554,10.551188959208044,2.703192377762818,6.832307110367252,0.2819884132614679,6.281385182498504,13.563401360353655,0.9474387000817338,10.527023783779669,0.5391214169052341,36.34258495010286,6.281385182498504,13.563401360353655,0.9474387000817338,10.527023783779669,0.4930822459615156,36.34258495010286,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0478,3.3405743183336365,4.010811864054155,4.70388286745004,5.401549573618963,6.089721251192928,6.758387113154798,7.4010779629762835,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_17,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407955579307333,0.4807135862995502,1.3719159511575965,3.201802867715809,5.200590907502254,6.56750494488327,7.290522930005184,7.628823569552393,7.755732348688716,2.506400660577975,0.3817031055430264,0.0201737173251202,10.542391487562854,2.6964702892717813,6.827781462039177,0.2799532816386724,6.267959512852768,13.5352060295791,0.9465838999486234,10.537398019415733,0.5393335454601896,36.33674658629381,6.267959512852768,13.5352060295791,0.9465838999486234,10.537398019415733,0.4937174749374492,36.33674658629381,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0478,3.337944046022151,4.007785666371179,4.700509584967276,5.397891993641493,6.085846869303204,6.754361475511757,7.396960639422424,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_18,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1501223833791863,0.6085941580291456,1.7845226197974529,3.8351012244517846,5.977775356818995,7.438214170071831,8.212253782489663,8.574965876928657,8.711128776058896,3.076896322043875,0.4645913531650807,0.0210083435362179,12.400290198811089,4.312691994556036,7.785827271265091,1.064010860697816,4.488210919206204,9.749210565955726,0.772316725983131,10.566644181462696,0.5374935735200549,31.664016456620374,4.488210919206204,9.749210565955726,0.772316725983131,10.566644181462696,0.5361112326521271,31.664016456620374,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0478,3.209204001479077,3.822994828426723,4.464397844595484,5.117476913440413,5.769041662882255,6.409020302541494,7.03030605936917,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_19,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1501827574069557,0.6090373812208252,1.7854409153061834,3.83699288229126,5.980125100328637,7.440488943735984,8.214374869428335,8.576989973203522,8.713112517520782,3.0784648086108555,0.4649558672291251,0.0209991931308884,12.40269760956972,4.317959102072697,7.786631588184823,1.0715825836087092,4.498845185310712,9.771530119329356,0.7732052333241399,10.573394735421637,0.5389655459900156,31.677751398914324,4.498845185310712,9.771530119329356,0.7732052333241399,10.573394735421637,0.5374314140004997,31.677751398914324,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0478,3.216049801527435,3.8300935337330095,4.471568048335247,5.1245851940645535,5.775993579861235,6.415751928431858,7.036776673718501,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_20,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005844662947718,0.7109113958839535,2.1859462554370865,4.388454621448084,6.485952302500868,7.867066107051253,8.590541753814687,8.928122631359875,9.054650350031109,3.60794909422672,0.5131209259093806,0.0036684038139928,14.100335747638406,6.193474695297594,8.383030819009866,1.6889946666622078,0.939360646927609,2.015256545440431,0.1375763952244439,2.039971808723161,0.1600597468369535,7.448331139126925,-0.4364033053168306,-1.0121835711989753,-0.1375763952244439,-1.5370144671123822,0.0637562701798428,-7.448331139126925,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,7.715977111609754,8.5079758667748,9.28919008031093,10.055888230610794,10.803751135695665,11.528569698655629,12.226709725404897,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_21,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.219131437887347,0.9187616125466912,2.218015043622595,4.152653276023777,6.065930876530382,7.342328594722251,8.012975596713224,8.326110794309374,8.443493312178184,3.45588033076798,0.7204269323795599,0.0234437044586813,11.947687438475512,5.988127259082529,6.883744821720056,1.790949709650864,2.1191424341644893,4.650629792224144,0.411555735296647,5.4115883165376655,0.1713513795219843,18.826826876755387,-1.996414918801981,-4.405868171960927,-0.411555735296647,-5.288860801175157,-0.1167376351856682,-18.826826876755387,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,9.63892034441836,10.41523766752785,11.159809383439889,11.871971251237186,12.551004946944932,13.196365742119731,13.807821540046485,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_22,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190951251372728,0.9186769605446672,2.2175761690742526,4.151107231687836,6.063234606394636,7.33898082099669,8.00933600702199,8.322347705316952,8.439686060798367,3.454766070992424,0.7203546061069379,0.0234391100062214,11.939485489599129,5.984472279292427,6.878577886614205,1.7904282889700085,2.1204019513936694,4.653422258888123,0.4118278456330768,5.415024716458284,0.1714016578081636,18.83856666962988,-1.997876504937099,-4.409063634747462,-0.4118278456330768,-5.292499270001715,-0.1168778341349898,-18.83856666962988,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,9.64226077102982,10.417968343164407,11.162015484712304,11.873739263513462,12.552413416669069,13.1974821396271,13.808702042227289,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_23,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1593587768019123,0.8046891496792428,2.040209453378385,3.881751055074558,5.708284634371803,6.934345364752865,7.581414560261702,7.884239352180274,7.997872044030836,3.2185606023802142,0.6173112173782173,0.0102207595843452,10.607896961909333,5.106347747183702,6.186220267572659,1.4155027447724065,1.9754261648143523,4.076698766050822,0.1328867753497237,3.0385203676121426,0.629901939561655,12.534866331066238,0.6465584113171153,1.1524561733569705,-0.1328867753497237,-0.4165357914806743,0.5368811968168484,-12.534866331066238,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,6.77373963419235,7.546292399229343,8.314634899744549,9.072507556837914,9.81491556447667,10.53770629264977,11.237440614589906,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_24,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2311503664976766,0.9323038502937564,2.211592651683278,4.186882647156716,6.197082963170253,7.560758403445599,8.283164128619106,8.621711961402626,8.748814769718335,3.467476498428616,0.737571341896673,0.0251034043527154,12.75662766394953,5.8780274087097215,7.639221319185441,1.7782946181292658,2.055614240452542,4.436011093196436,0.3258639874197374,4.662526139810441,0.3154207173244002,16.795350950657458,-1.203025633744831,-2.734795399248344,-0.3258639874197374,-3.80993753310273,0.0873159261305843,-16.795350950657458,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,8.967311816207074,9.730348747023662,10.47699312488703,11.202589686217074,11.90299123932514,12.574878514427327,13.215874678515071,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_25,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005274863478066,0.710656062227675,2.1846625087147333,4.3852343232044415,6.481307482147316,7.8617360161174705,8.584921524572351,8.922381590913197,9.04886629651362,3.6053820241061385,0.5129363254990309,0.0036644865963523,14.078153712124694,6.183574015069251,8.37232329527404,1.6868349034801642,0.9384592861597324,2.0132877040966104,0.1374103323381425,2.0377419448648726,0.1599700092070637,7.440503077561511,-0.4356440372216925,-1.010498112377031,-0.1374103323381425,-1.5349266959268324,0.0637827765703641,-7.440503077561511,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,7.719356620019064,8.511748583274297,9.293287172332638,10.060246192106424,10.80831058552536,11.533275435231694,12.231511333964754,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_26,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.157382155341457,0.7809208188267805,1.9823514616712523,4.049389066937407,6.283155836283767,7.81978375991488,8.635417066764504,9.017650733053497,9.161132303558048,3.273112883654228,0.6030888950318701,0.0099513065222377,12.408391259686711,5.570768005545152,7.138880727075327,1.3637065661460837,1.881867322867996,3.904199878318773,0.1465531691806923,3.054292676313534,0.5626437664624602,12.340399997953826,0.4163356310610732,0.6792211828496656,-0.1465531691806923,-0.7560897223844649,0.4600565480359758,-12.340399997953826,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,6.611465968261269,7.42159005415206,8.225218519109188,9.015500735613465,9.787129890308012,10.5358482763881,11.25826137063062,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_27,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.228981389557696,0.9431786891362368,2.218422432756287,4.095659226864113,5.972695548437521,7.236592316443327,7.903825712958951,8.216034909745192,8.333174328404803,3.417809752982566,0.7431826221977763,0.0244829011901999,11.497937844855697,5.827026264555372,6.650129074018132,1.7957524198760786,2.2468640966918034,4.852482334900188,0.3598293594221087,5.125498972068671,0.3377541778868824,18.43090767190119,-1.351429497529284,-3.0657498304502147,-0.3598293594221087,-4.230064372906154,0.0858736262914066,-18.43090767190119,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,9.321057290518024,10.047151794079074,10.759843798419867,11.455074538127835,12.128715467036438,12.777189247383356,13.397754064583268,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_28,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0998574907313847,0.7072700496624328,2.167842949955216,4.320776035762468,6.326305275948455,7.623385323667778,8.296303494940048,8.608890220311158,8.725830194808864,3.562856197594987,0.5105223213091128,0.0036203352316235,13.56393703005907,6.022790721755567,8.197679116091615,1.656838416867623,0.7925968658226307,1.664836346442017,0.081590660700336,1.4453221514253192,0.1997231164779405,5.594797543119873,-0.0233097411807297,-0.1306085694124419,-0.081590660700336,-0.6760350267834182,0.1426096539877053,-5.594797543119873,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,7.3153904028489025,8.138070402049355,8.952216263864665,9.75137200769767,10.529716867529553,11.282340100379535,12.005392980033516,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_29,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1574501923252775,0.781077611692547,1.9833129899477984,4.052728845529332,6.288940886570135,7.827095735056154,8.64348856143123,9.02606632018986,9.169675132164796,3.275549722512562,0.6032250500388611,0.0099591946858614,12.432856121114805,5.57886286174315,7.1546805735705625,1.3656511786612406,1.8820720067967776,3.9044885173451287,0.1464371932279762,3.053569552620587,0.5629523057221106,12.339103898543412,0.4177000745170158,0.6820619330230343,-0.1464371932279762,-0.753797471306794,0.4604462704625274,-12.339103898543412,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,6.60184916811931,7.413054922619664,8.217490650570722,9.008368073724494,9.78043313807131,10.52947199430728,11.252125203342564,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_30,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1573868491771715,0.7809465656810913,1.9824220011747784,4.049610280222288,6.283595881454806,7.820381089142972,8.63609700513985,9.018368940710433,9.1618647900759,3.273267947799748,0.6031091947865973,0.0099511675966248,12.410085892918582,5.57122023696361,7.139785897232236,1.3638235336165545,1.882416437866649,3.90531019304968,0.1465678996230194,3.054959634850805,0.5628605030574975,12.343440181793632,0.4167374416364546,0.6800073465373339,-0.1465678996230194,-0.7558057553477009,0.4602629733213839,-12.343440181793632,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,6.607338596311172,7.418191620330226,8.222356373499565,9.013041303522542,9.784978892503512,10.533938136304895,11.256542980770496,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_31,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0999865552076905,0.7078549459240124,2.169544954968169,4.32439355426482,6.332254536400744,7.63111251708123,8.305022014467792,8.618083236901104,8.735202854882544,3.56573805651346,0.5109665065401567,0.0036285313371762,13.587117227149829,6.0334740388853865,8.209012629391571,1.6596545686821755,0.7840060100906753,1.6454374238555194,0.0793930588754532,1.4191504810943012,0.2000206890988757,5.507891227962441,-0.009924578663857,-0.1016481210894444,-0.0793930588754532,-0.645069049667483,0.1444455478860584,-5.507891227962441,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,7.322713903114323,8.143437657393376,8.955962032370172,9.753763735146215,10.530976860018017,11.282657737891842,12.004931408950236,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_32,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1574286701296026,0.7810280903582368,1.9832926876443489,4.052834903430817,6.289166417303614,7.827390191991246,8.643816459032761,9.026409292447571,9.170023675465588,3.275608118539896,0.6031792980641408,0.0099566463969471,12.433652344145017,5.57922307783127,7.155114781028427,1.3656338582601557,1.8814999255766272,3.903296524095371,0.1463876659989962,3.052601253568597,0.5627905931334811,12.335252947863063,0.4176232655866642,0.6819598122011384,-0.1463876659989962,-0.7534780624053059,0.4603192269341837,-12.335252947863063,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,6.604213881744465,7.415005198077215,8.219132471055001,9.009772302859044,9.781649227181504,10.53053580173308,11.253063594586838,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_33,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290091303234454,0.9433183589266247,2.219332345864912,4.09801930850454,5.976414938721439,7.241182299658131,7.90886088019722,8.2212748029465,8.338490429227853,3.4196557064543387,0.7432726891154575,0.0244879846649989,11.50865966322518,5.833075432383714,6.655897250110348,1.7970714726787766,2.247463004099484,4.853986102946162,0.3601300094540478,5.128503079731867,0.3374396238198818,18.43991520957838,-1.3538370904409942,-3.070862022695076,-0.3601300094540478,-4.234877166073377,0.0853486172020485,-18.43991520957838,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,9.318938618934071,10.04519541501759,10.757908784369429,11.45308124935882,12.1266260592318,12.77499276487142,13.395455780373092,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_34,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2289760426484116,0.9431919472976692,2.21844539607997,4.095711881948676,5.972808868623938,7.236748625559603,7.904003111671551,8.216221605854171,8.333364407793125,3.417846398681364,0.7431913748356144,0.02447847674411,11.498824302575931,5.827164358228195,6.650692927853382,1.7958254206004407,2.2475796144743057,4.854102285221591,0.3600165220817152,5.127711791128028,0.3377214039912291,18.43822851400583,-1.3525856063428463,-3.068248491778033,-0.3600165220817152,-4.232717782996567,0.0857098385340287,-18.43822851400583,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,9.323342481694684,10.049169594501384,10.761619515982057,11.456633163305828,12.130081479881472,12.778385904341468,13.398802814465308,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_35,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1593054870413862,0.8040990143463205,2.038087494885121,3.877746417574895,5.7026689510344095,6.927739388566616,7.574312782364142,7.876911642784003,7.9904605375031155,3.21519098530467,0.6169226704907248,0.0102207399745521,10.585869348578887,5.09736636428614,6.1728289946689445,1.4120650774156862,1.9725842365028765,4.069919896154195,0.1318091231750268,3.027057221903091,0.6306578792906047,12.499103646014918,0.6544930047526074,1.169391599943678,-0.1318091231750268,-0.3999799806476072,0.5383914930680859,-12.499103646014918,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,6.7425267987861845,7.521213530298472,8.294525556943153,9.056404218088447,9.802028830843367,10.52739591899972,11.22919169178011,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_36,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1000142128067899,0.7079515986553371,2.169770275118693,4.324840131847934,6.33290595879586,7.63188970736884,8.30586217518597,8.618952129255858,8.736082412565287,3.566105359252386,0.5110459026972903,0.0036304573652333,13.589778797988275,6.0349843222323925,8.210064116989052,1.659981170553632,0.7844260153010622,1.646395454897257,0.0795098314095724,1.420504666577642,0.1999886429160243,5.512326704696761,-0.0106722987946622,-0.103259730382718,-0.0795098314095724,-0.6467509500712421,0.1443317609293236,-5.512326704696761,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,7.3232019272309135,8.143840801741845,8.95625865183009,9.753947291808077,10.531050507473566,11.28263028088672,12.004814491337688,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_37,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005139806216839,0.7106309829766779,2.1846887204280536,4.385607195775876,6.482220059666331,7.863055121121564,8.586461365507528,8.924025526424778,9.050549381881396,3.6055974675944698,0.5129116259708308,0.0036631318015232,14.081169429750773,6.184505297217704,8.373808811940329,1.6868902188339792,0.938749486313016,2.0139643439532287,0.1375052675772935,2.038791626931364,0.1599211447018667,7.44385278311095,-0.4363031894599193,-1.0119105718242556,-0.1375052675772935,-1.5363453300782677,0.0636674573977613,-7.44385278311095,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,7.717478098657136,8.510075586519232,9.291777449507824,10.058872845813356,10.807055206635413,11.532124382282149,12.230453745555034,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_38,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2191337020556406,0.918738186257874,2.217864563592535,4.152211720931377,6.065251246852302,7.341530290281181,8.012126369423383,8.325240234719843,8.442615137371687,3.4555424395205,0.7204124990953154,0.0234467692085483,11.944951348353818,5.986920978893756,6.882252007014322,1.7907018958761751,2.119175263682785,4.650721081084111,0.4115807741518977,5.411821456897967,0.171319040804031,18.82749180145188,-1.9966324778361924,-4.406327876130958,-0.4115807741518977,-5.289278671051374,-0.1167875011022971,-18.82749180145188,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,9.635299879536898,10.411720025075844,11.1564590628548,11.868825057797087,12.548079319531306,13.193663263255528,13.805335971546942,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_39,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2311490563185277,0.9322868668178834,2.2115044452312507,4.186548084496435,6.196459818859671,7.559941956311682,8.282247068976787,8.620748176025243,8.747833509468812,3.467241205350072,0.7375587485735736,0.025105112065171,12.755077199410856,5.877021685319418,7.638762992756827,1.7781610472437817,2.0551882629938043,4.435080996138271,0.3257858162377858,4.661474792896091,0.3153789926024869,16.79165763972474,-1.202669899384054,-2.734005298798651,-0.3257858162377858,-3.808956429286341,0.087328921236037,-16.79165763972474,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,8.970051470581213,9.732923577437104,10.479401063349954,11.204831552083077,11.90507158481879,12.57680484473549,13.217656362181792,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_40,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190830238077414,0.918687713340237,2.2176773142672235,4.151281000308187,6.06336177531402,7.3390290030073375,8.00933129875794,8.322316039688946,8.43964394783568,3.454928758047509,0.7203556355584492,0.0234338030785465,11.940269604194938,5.98466332590808,6.879103616666278,1.7905411947678858,2.12013651223307,4.652813353658923,0.4117507109406294,5.414142199758106,0.1714281649300363,18.835696779977944,-1.997370597173223,-4.407975150959316,-0.4117507109406294,-5.291376284698258,-0.116797332728404,-18.835696779977944,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,9.647472299282486,10.423001561072308,11.166822298272312,11.878288621758353,12.556689807873562,13.20148217889496,13.812430963041209,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_41,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0998388147325816,0.7072169197183542,2.167827323279817,4.3210124068219855,6.326926664291956,7.624306886842103,8.297392306237109,8.610058959191996,8.727029169918126,3.5629810797009047,0.5104748834959345,0.0036189122901897,13.565449085345456,6.023528593020145,8.198290389437679,1.656809501278134,0.7925155129594164,1.6646199798326051,0.081538167973146,1.4448208567445846,0.1997853383172914,5.593340924260002,-0.0228661667720441,-0.1296698062638197,-0.081538167973146,-0.6751715105572126,0.1427086207360892,-5.593340924260002,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,7.31425937167595,8.137127794915447,8.951455482598444,9.750779480220064,10.529275426290551,11.282031278912246,12.005198493120549,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_42,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2289647951771398,0.94325254156352,2.21926139460803,4.097980236014302,5.976505806321139,7.241408338765438,7.909171302911632,8.221627515732887,8.338859450202465,3.419593930824753,0.7432078870756015,0.0244766685923225,11.508380570331529,5.8329538872971085,6.655705838282862,1.7969651621073688,2.247360865858904,4.853763597428643,0.3601117791605039,5.128255099142935,0.337428067672161,18.4390399125046,-1.353756925746136,-3.0706833611234114,-0.3601117791605039,-4.234651159030168,0.0853498222598084,-18.4390399125046,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,9.316861196392328,10.04324210077762,10.756095607436796,11.451414835350642,12.125105724678816,12.77361284765565,13.394207599013413,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_43,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1593067116151133,0.8041044379674357,2.038173091072823,3.878039584854116,5.703188447611358,6.928413390048853,7.575068622419356,7.877705820309138,7.991269105292229,3.215404989748216,0.6169251287983893,0.01022110569339,10.587211218969214,5.098484712462661,6.1730835006892,1.4121024851701012,1.9731147119611208,4.071129938503165,0.1319566373783991,3.0287678109883145,0.6306173517382004,12.504706307373588,0.6535483381771293,1.1673555155400543,-0.1319566373783991,-0.4021047608500639,0.5382477055733211,-12.504706307373588,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,6.741243722824616,7.520509429497484,8.29422952824572,9.05639848627333,9.802230309317457,10.527744876275086,11.22964456354974,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_44,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2311541589145636,0.9322625189870536,2.211338408496327,4.185954691968424,6.195562400513289,7.558973027366772,8.28128469179092,8.619799098047517,8.746891074268179,3.4668028560018467,0.7375428303122995,0.0251105916155476,12.757423481971154,5.875620907719767,7.641203552914628,1.777893633392983,2.0568396722514968,4.438834015133225,0.3262306326803412,4.6666847336942245,0.3153049500224913,16.808811014864308,-1.2054666545519157,-2.7400406969266764,-0.3262306326803412,-3.815311715994645,0.0869435071462526,-16.808811014864308,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,8.969714590421459,9.732199782118505,10.478557987197046,11.204030884033054,11.9044047161433,12.576317021923115,13.21736324183194,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_45,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.231168458520113,0.9322836002058338,2.211358561829926,4.185921257822178,6.195412675060446,7.55873012901868,8.280991199348387,8.619481911255773,8.74656501379969,3.466798195632685,0.7375635540684029,0.0251138910168569,12.75640350140031,5.875602804579798,7.640327598199474,1.777906148364589,2.0570110751148407,4.439214619549056,0.3262681875525017,4.667156575534854,0.3153121089088823,16.810419126624236,-1.2056708004101762,-2.7404865070012696,-0.3262681875525017,-3.8158163008301895,0.0869243776221312,-16.810419126624236,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,8.970226159995514,9.73258828254994,10.47888437251301,11.204333709046178,11.904706684590986,12.576630216331676,13.217692946937683,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_46,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1593604065242276,0.8047151866878683,2.040314871737181,3.882106969289056,5.709049588921901,6.935445825817552,7.582706133837245,7.885623109528581,7.999290804384369,3.2188048525827373,0.6173286630319235,0.0102204063010973,10.610754417271092,5.106974014213373,6.188082868095644,1.415680983056416,1.97537537488164,4.076586028369965,0.1328756747992421,3.038380773275577,0.6299001515737507,12.534390370393044,0.6466186268892183,1.1525877090617458,-0.1328756747992421,-0.4163867715047187,0.5368871792142813,-12.534390370393044,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,6.774959227036312,7.5472787425730194,8.315415898093693,9.07311155972866,9.81536920404574,10.538033537460509,11.2376624897773,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_47,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006107626788137,0.7109827595806911,2.1860910914510323,4.388691815256102,6.486238168280421,7.867374258124802,8.590860445366475,8.928446147652279,9.054975669926394,3.6081594581695287,0.5131828975628173,0.0036706772684476,14.101155048499397,6.194534390980757,8.383218763637014,1.6892314681173062,0.939269601297057,2.0150189056148635,0.137522018475163,2.0394457490983613,0.1601211879362596,7.446788375988546,-0.4359505834545733,-1.0112246223807062,-0.137522018475163,-1.5361267312558775,0.0638557750036456,-7.446788375988546,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0478,7.717166753455018,8.50916807693922,9.290346271441424,10.056982482221008,10.804768113782174,11.529502101035812,12.227555929417584,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_48,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0992793303588483,0.6355312352020517,1.955673367378032,3.907821934567793,5.75823167412263,6.980316363762135,7.622291695650355,7.922295282969572,8.034813496559599,3.218664190881616,0.4609955948178151,0.0049292825494966,11.74865007859274,4.789103701428222,7.135312407278884,1.2886928949471186,5.118411411211434,10.871491436488846,0.5353321569093948,4.63385073687521,0.6337738126639021,20.219138283525503,1.3859281265192185,2.935887142853044,0.0605700842920279,-4.386484731759496,-0.5348274106176165,-0.0081746467477375,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0478,10.201305845122032,11.035278554361138,11.830923161936497,12.58783301205812,13.305453189676555,13.98342480413574,14.62177688336897,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_49,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0992642334854962,0.6355169108126513,1.955757686362597,3.9080069101415984,5.758452016109486,6.9805459065660544,7.622524224218991,7.922528997921681,8.035047635928343,3.2188233578785184,0.4609742169880642,0.0049276827338597,11.749638029683052,4.7896923981916055,7.135670451119891,1.288842859097124,5.118551074987019,10.871788858114828,0.535348314538664,4.634027115541186,0.633794792709113,20.219789949872663,1.3858916969146058,2.9358118629000773,0.0605654949307291,-4.386679343068187,-0.534855683719914,-0.008261696809719,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0478,10.20202205554898,11.03612087338456,11.831849198223976,12.588811015816493,13.30645941219253,13.984441517138048,14.622790914328462,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_50,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0992933725815943,0.6357040240580761,1.9562678823246475,3.9087313013057954,5.759543593827271,6.982064556771552,7.6243263800224765,7.924476837800781,8.037052207492545,3.219474952359445,0.4611058215542951,0.0049302504695954,11.753673552830326,4.792332209509635,7.13737002801412,1.2892639603396523,5.134073516224488,10.90473734298322,0.5366236965707862,4.630507015506762,0.6341491196418849,20.244353381941263,1.4096496444150186,2.986328502231038,0.0629458125897158,-4.382263701052527,-0.5348517938601913,0.0560214504272791,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0478,10.145769469865035,10.985542076911775,11.786182477000384,12.547397048305667,13.268738724971351,13.949943423912243,14.59112011447767,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_51,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0993120094852145,0.635744404190596,1.9562738574372105,3.908814186148232,5.759895446419942,6.98266263636387,7.625067979136772,7.925288069491645,8.037889924596424,3.2195035100638614,0.461145190974808,0.0049321317277366,11.75428972988504,4.792551782963266,7.137638617870884,1.2892192144041432,5.13429989432929,10.905187142608606,0.5365920930006435,4.6291346109980696,0.6341115155263723,20.24214084014605,1.4113292533606037,2.989915669845247,0.0631456604164024,-4.380751874187159,-0.5347584208020083,0.0623698527218615,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0478,10.142536778820295,10.982285831017556,11.78295282455604,12.544229863494415,13.265659079312869,13.946968121869066,14.58825965042864,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_52,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669539273263509,0.4095730177807359,1.5141888097024416,3.5169586299956497,5.504263062570699,6.806848844727581,7.484386414046695,7.799289892394724,7.917111440768771,2.7864962453087343,0.2918816379110957,0.0043965137645438,10.928069304473988,3.574992904139585,6.635978138812135,0.6661521651041341,6.515681066725898,13.84546652460651,0.6968054466270011,6.752173827161634,0.9474656520539044,25.10527419601711,0.6015866833811316,1.347764941546966,0.0149213283837019,-6.752173827161634,-0.9474656520539044,1.2393300575016364,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0478,14.563577203202277,15.33066206830896,16.026718412607455,16.658996804929863,17.233976461965693,17.757417597080686,18.23443742329802,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_53,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0954658279420939,0.5198048959656324,1.5014563196798212,3.292762647462525,5.253491976703205,6.614008524078534,7.339843423419495,7.680842758436765,7.80898317963691,2.6164816768274264,0.3908846290850723,0.00588183155615,9.900067802848374,2.87599916192582,6.489738554659051,0.482272602511589,4.169868173943912,8.81271648629832,0.4816233935572094,8.02285532240159,0.9520390727178538,20.84934086971956,-4.169868173943912,-8.81271648629832,-0.4816233935572094,-8.02285532240159,-0.9520390727178538,-12.8642966792851,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0478,15.346357327606462,16.035787438656875,16.654020685479043,17.211851514335198,17.717710839161896,18.1782728048812,18.598910927870527,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_54,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0679013807531453,0.4010854133780757,1.527551541215186,3.710892297867257,5.951792230334899,7.440766822776518,8.219371404748328,8.582016138869722,8.71781320519475,2.902146501746909,0.2869640398868564,0.0045924437766498,11.977706077132996,4.106645360467059,7.161633589238525,0.735699587794642,6.941173517251328,14.758893230498249,0.7729055757558886,8.336010201493819,1.0613187904823878,28.00209649573018,-0.5566296215118359,-1.129807376263155,-0.1344511861819393,-8.336010201493819,-1.0613187904823878,-3.7553901720938025,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0478,14.692982798131094,15.462657128379986,16.155202031232534,16.78049480323993,17.34673807049153,17.86079116811682,18.32844721675648,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_55,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692498094543109,0.3793401917599976,1.3653645591994756,3.5445334318448074,6.022495878569023,7.741919165673601,8.65574734038795,9.08404400237023,9.244811503967265,2.7011328569133,0.2782168969744013,0.0047860362448174,12.453619275313988,3.516584352069565,7.704121172468429,0.4894171888564511,4.666221363338241,9.843449892089009,0.4166448801875984,3.653418392131169,0.7676953027712405,17.2467599989002,1.128394653605571,2.5263169192809496,0.1628167215067828,-3.653418392131169,-0.7676953027712405,8.362774445071661,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0478,14.511359807972047,15.29817010004986,16.00439089798121,16.640722073018683,17.216036096014427,17.737713332099254,18.21193735361789,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_56,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0950174132933082,0.518049371104566,1.4992026443493682,3.2934585824122795,5.258069960146654,6.620942369112886,7.347891563760424,7.689380262039594,7.817699019973634,2.6158460140702635,0.3894224996750114,0.0058641733270179,9.91489342971802,2.8767626125254577,6.495355683118105,0.480207426226292,4.15112382643569,8.772316150436298,0.4786969130807907,7.980699131082017,0.9491763769789172,20.75561913217845,-4.15112382643569,-8.772316150436298,-0.4786969130807907,-7.980699131082017,-0.9491763769789172,-12.753164783476908,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0478,14.94261347150094,15.679549167364254,16.337130654981785,16.92794514192388,17.46175938843565,17.94625284794583,18.38756373477955,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_57,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0678485393634666,0.4003326013267451,1.5250216029537964,3.70588510094413,5.944480126731988,7.432075154351093,8.210017145118455,8.572367990408896,8.708057467517163,2.898022315411142,0.2864712907360077,0.0045888379664003,11.957917367242782,4.096144609657127,7.147226971185218,0.7307956460573222,6.93317681983171,14.741590184701437,0.7719036557461193,8.332964895997021,1.061207777112213,27.98026646143345,-0.5659219267601859,-1.149411164461656,-0.1351781664389668,-8.332964895997021,-1.061207777112213,-3.767597315044565,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0478,14.775623584357026,15.53292006654553,16.215725740335085,16.83322592007392,17.393139078065747,17.901979013012603,18.365287901531925,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_58,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669414197650133,0.4096203818347721,1.5144717645173464,3.517450523836517,5.504839501418614,6.807454010013081,7.485002350694739,7.799910205010661,7.917733308692763,2.786933546630617,0.2919005666910513,0.0043943925220076,10.930104205139385,3.5760581924561983,6.637192559053301,0.6666776142796059,6.515115545495858,13.844253366440082,0.6967272856743257,6.751174750412706,0.9473846382549383,25.10271501481043,0.6018965618078184,1.348432379021076,0.0149739250560419,-6.751174750412706,-0.9473846382549383,1.2413473931705052,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0478,14.523882217799368,15.296066215536928,15.99631477303334,16.632082202242298,17.209996283004052,17.73592808197769,18.2150791290592,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_59,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.066907539000355,0.4090533171650206,1.510027620766275,3.507683339191882,5.493125621859358,6.795794111957213,7.47369483706074,7.788832339007992,7.906751447626881,2.778670312110363,0.2915969916090225,0.0043909762995679,10.893258021065671,3.556827165858683,6.6160703469369055,0.6591688985896034,6.506891486108546,13.826827738010875,0.6965668921831312,6.7762623135874245,0.9482129809156306,25.11002739656209,0.5639942605396822,1.267392065359093,0.0105216824816915,-6.7762623135874245,-0.9482129809156306,1.0984450570116997,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0478,14.501493069100375,15.27678812582477,15.979040770657209,16.616147948435156,17.195011793258306,17.721669813224793,18.201422195707043,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_60,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0950154754390018,0.5180683460678046,1.4992412663450996,3.2930314524129547,5.256830569846104,6.6190923238895145,7.34571279043136,7.68704725107684,7.815308133531178,2.615647935909025,0.3894327700284846,0.0058630574446839,9.910391571036708,2.8760721550534143,6.4925200133936585,0.4803463185937086,4.151190641425763,8.772504674735028,0.4787505277620247,7.98119486352196,0.949105433507083,20.75595320712881,-4.151190641425763,-8.772504674735028,-0.4787505277620247,-7.98119486352196,-0.949105433507083,-12.75658373621292,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0478,14.938585188964522,15.675711897976615,16.333548299599162,16.924639207389973,17.458728024424392,17.94348208875979,18.38503401900856,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_61,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3184056043376955,0.9528168874314384,2.1182320407407964,4.018479556040408,5.879333509175781,7.094966995634419,7.726583555406106,8.020030533085777,8.12980865093776,3.3307620520395367,0.7861599765002109,0.0516491141501767,10.798459246338696,5.551288803876485,6.004332058126349,1.2836832370376103,10.735364080990127,22.94055796933114,1.2204243754065651,9.536791818521792,1.1661972620896472,38.33006623294144,3.880592273304349,8.260124060181278,0.2411712600228826,-9.536791818521792,-1.1661972620896472,4.056207194512548,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0478,14.508042214099463,15.485226976394529,16.31966366982922,17.035907588876515,17.654579987810493,18.192633002256347,18.66385271166232,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_62,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692342060817049,0.3793198188764879,1.365306598191106,3.544418085674146,6.0223437239738695,7.741745553189236,8.65556268534788,9.083854199076145,9.244619769654246,2.7010346056544727,0.2781966328560313,0.0047836727112861,12.453482473908092,3.5162731755493235,7.704321320538477,0.4897177862289425,4.666998442082669,9.845103453994044,0.4167320390674457,3.6543308549263713,0.7678093356674724,17.24985875083913,1.1283667575118168,2.526262637580302,0.1628044808920028,-3.6543308549263713,-0.7678093356674724,8.362394214698627,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0478,14.58917514682628,15.367781816874796,16.06680719387521,16.69684068227852,17.266645337803144,17.783499058980304,18.25349290384494,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_63,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.067868232723776,0.4002980256229279,1.5247653239560417,3.705444770352348,5.943967331553633,7.431548044987672,8.209490300890224,8.571842824265637,8.707533167018397,2.897630938164629,0.2864661303781686,0.0045918068634159,11.95641462205486,4.095067572673835,7.146453334781504,0.7302247425483847,6.932741307768221,14.740699529939777,0.7719297416566472,8.334711937282352,1.0612040678793708,27.980852313606444,-0.5681182361161594,-1.1541386588841194,-0.1354674344914409,-8.334711937282352,-1.0612040678793708,-3.778048851576637,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0478,14.827554203336492,15.577752302498745,16.254836336401894,16.867650181478023,17.42367261173861,17.929244618259773,18.389780875478287,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_64,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0679117947644571,0.4010151947590416,1.5272382780913631,3.710461848479664,5.951393454683116,7.440436261566656,8.21908827087838,8.581757563731246,8.717564211020779,2.9017343611857336,0.2869319653737733,0.0045941258729982,11.976021236444884,4.10548010478214,7.160937624620448,0.7350728707475901,6.941400441050455,14.75942578883384,0.7730045802124191,8.337918927289396,1.0613418727136457,28.004476787607697,-0.5580429004365703,-1.132872446885387,-0.1346688261510306,-8.337918927289396,-1.0613418727136457,-3.76409243511305,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0478,14.761761760914045,15.520938693323208,16.205181133397115,16.823803878641,17.384613224983816,17.894183957999168,18.358101198819263,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_65,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692560781384769,0.3796269999313515,1.3679356793567314,3.549744914724539,6.028230722064219,7.747407583266711,8.661006277911223,9.0891803137074,9.249899815044737,2.705696874332669,0.2783557109618048,0.0047861070369429,12.473866732780175,3.527437818663605,7.7151920467501744,0.4935466764345092,4.661044912290129,9.832399815994473,0.4159562325190954,3.6433788095687074,0.7667507210988999,17.221782213426785,1.1327097048754506,2.535528165268889,0.1634192291974624,-3.6433788095687074,-0.7667507210988999,8.38298709716963,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0478,14.571803360779418,15.348232475773736,16.046230820499808,16.675976512070218,17.245963129009787,17.763292121012892,18.23393867732904,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_66,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0954603995984722,0.5197859780166953,1.5011844018670917,3.2918944456028085,5.252120477343568,6.612366034052396,7.338076571167122,7.67902166063231,7.807142341480266,2.615825390623625,0.3908745859605502,0.0058806426056051,9.896557437280016,2.8742244957357013,6.4878905702368295,0.4818416385011623,4.169505552226955,8.81196763885413,0.4815985201673763,8.022293713565965,0.951924122496336,20.84752776113477,-4.169505552226955,-8.81196763885413,-0.4815985201673763,-8.022293713565965,-0.951924122496336,-12.864368650581572,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0478,15.36826505550702,16.05533497276539,16.671498679308396,17.227522069820417,17.731804805265753,18.19099082306705,18.610426116357274,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_67,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3184563439410841,0.9529084940172152,2.1185451882831616,4.019135676036988,5.880105666867097,7.095719797131634,7.72730326613242,8.020730267400813,8.130500214639117,3.331320271553661,0.7862381424012608,0.0516652845370334,10.801340338982168,5.553596818850539,6.005232113193653,1.2840799457770409,10.731938366510942,22.93324217524693,1.2200637558604674,9.534988035956337,1.165892811981432,38.31924730414102,3.878008803406855,8.254612048376588,0.2409309611313121,-9.534988035956337,-1.165892811981432,4.049599488620587,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0478,14.48144465396806,15.461031366919734,16.297684937789995,17.015937022294498,17.63640948620082,18.17606703238648,18.648713402288035,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_68,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692828485570315,0.3796540232164949,1.367837773302517,3.54939276906565,6.027675094078885,7.746749028812552,8.660302727788276,9.088457677539376,9.249170323150784,2.705433643759978,0.2783902689232551,0.0047900596425269,12.471445857225984,3.526667786801664,7.713649214374934,0.4930758555160322,4.660246270020004,9.830702876799515,0.4158828597423781,3.6431425877694377,0.76667224338271,17.219398165834587,1.131975810232784,2.5339535979161067,0.1633393482829005,-3.6431425877694377,-0.76667224338271,8.380375264752873,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0478,14.533511137018923,15.314099842224715,16.015730715522263,16.648643597988478,17.221390903404178,17.741128336626577,18.213879703434564,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0478_69,RSM0478.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669168975007159,0.4091255240366138,1.510276507785786,3.5079289202290616,5.493138348754904,6.795577630107736,7.47334073185832,7.788410496958328,7.906303680173884,2.7789524250349604,0.2916439708653309,0.0043921111058338,10.892868955406794,3.557236704524993,6.616093698088818,0.6597550014874056,6.50540373115681,13.82364750762191,0.6963831309523264,6.774258807894571,0.9480115160199888,25.103924696550862,0.5642095633509897,1.2678559921638914,0.0105781984984538,-6.774258807894571,-0.9480115160199888,1.1007520606653285,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0478,14.618255201063231,15.37634630769056,16.06497525063947,16.69110326410675,17.26098337742561,17.780192157987678,18.253695405527083,"[Ni][OH2][Ni].[O-]C(=O)c1cnccc1C(=O)[O-]kgd,.cat0","linker [O-]C(=O)c1cnccc1C(=O)[O-], nodes [Ni][OH2][Ni], topology kgd,"
RSM0116_0,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0006439542303837,0.0792325270543019,0.7732249229304302,2.34081475761083,3.941310884254389,4.984126113227274,5.522920210828686,5.772419202478554,5.865616773874728,1.7564589402920856,0.0371725549721114,1.4372568308136605e-07,4.986384876878549,1.5215523786897234,3.0659090449281075,0.1679787944697626,38.34691005976602,92.76911789790977,2.826893763281608,4.153222441660988,1.6887156632022575,71.9615610384547,-38.34691005976602,-92.76911789790977,-2.826893763281608,4.070335978323175,1.6887156632022575,-71.9615610384547,0.0,0.0,0.0,5.0,1.75,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0116,21.275867356593068,21.416861302927085,21.52685986896262,21.61424373897635,21.684761727175463,21.74245804443934,21.79024131954839,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_1,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0002798661593335,0.0477949663883935,0.5042112963459314,1.583808136389775,2.7623030262852315,3.5679797371639608,3.994624459266549,4.19441487062921,4.269392932999877,1.172753791857485,0.0214553177678924,4.0746643421081416e-08,2.3980160964808244,0.7227690027384366,1.450347850156583,0.0704883377316067,35.01084676168857,85.5560077692618,2.465428428941357,5.0773230958465065,1.4551462908138102,58.59780399095615,-35.01084676168857,-85.5560077692618,-2.465428428941357,3.352150435944978,1.4551462908138102,-58.59780399095615,0.0,0.0,0.0,5.0,1.75,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0116,21.26081412099545,21.40502178885836,21.517543830855853,21.606886714066235,21.67892314195304,21.73780001151577,21.786505938756413,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_2,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.000641718119098,0.0791966268330244,0.7736711841352656,2.342192717139084,3.9432811070294815,4.986365133475559,5.525272976295791,5.774819859442596,5.868034610103955,1.7575411520220858,0.0371366657527716,1.4276783509873684e-07,4.991814380380435,1.5234395643449763,3.068602303565436,0.1679972367086517,38.34685732621364,92.76896264291828,2.82690546971076,4.153439003047787,1.688694289806868,71.96231915796224,-38.34685732621364,-92.76896264291828,-2.82690546971076,4.069962553207932,1.688694289806868,-71.96231915796224,0.0,0.0,0.0,5.0,1.75,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0116,21.284467895039818,21.423972963786994,21.53284096319788,21.619345465021976,21.68916557858884,21.746298532786746,21.79362032439312,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_3,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0002801880666927,0.0478179917126053,0.5043729954702039,1.5843215766049952,2.763259023633178,3.569257200180976,3.996075770095348,4.195948204393449,4.270957133360903,1.173125481875957,0.0214673895014008,4.087344130193459e-08,2.400412918502329,0.7231227947021815,1.4522637282918756,0.0705534641737746,35.006867977850185,85.54743526484896,2.464915156777564,5.075366487591926,1.455441935276731,58.57942641487207,-35.006867977850185,-85.54743526484896,-2.464915156777564,3.3568497750829294,1.455441935276731,-58.57942641487207,0.0,0.0,0.0,5.0,1.75,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0116,21.270799128763848,21.413327942987856,21.524558246342625,21.61288680784444,21.68411269164656,21.742331938702883,21.79049716537229,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_4,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410166400715855,0.488198333483733,1.3446842483273576,2.8962033657229327,4.524017939314897,5.633140098071912,6.220918772649868,6.496351450387048,6.599750935461119,2.3204870542844374,0.3858558303476876,0.0202277617615127,9.067138377494564,2.288519660752933,5.8369817210813375,0.2116523110987687,10.00235580677314,22.256248866658503,1.295944678482785,13.26633440364493,0.775316124043385,46.99163139391479,10.00235580677314,22.256248866658503,1.295944678482785,13.26633440364493,0.7079446446347663,46.99163139391479,47.0,111.40306,4.0,16.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0116,3.4868015663224665,4.151146255732883,4.837728155672848,5.528984606498483,6.21109799463493,6.874121344893116,7.511558482610202,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_5,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415371594641646,0.4977593262518686,1.5104171836858606,3.483915585660596,5.517685162223309,6.862919295331515,7.563049398675635,7.88825894897683,8.009887003207956,2.750435629153852,0.3897359554233174,0.0203764214067662,10.88992175925432,3.4011218932616147,6.69090117627599,0.54614437682538,8.441153621732985,18.47802900140209,1.181923074048174,13.615317455902328,0.8265127964035192,44.02158105032712,8.441153621732985,18.47802900140209,1.181923074048174,13.615317455902328,0.8001418505948951,44.02158105032712,47.0,111.40306,4.0,16.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0116,3.3595002733697776,4.037327745379407,4.733138826686254,5.430397051400109,6.116272364001119,6.781617220144824,7.4205189562643,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_6,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401036863184855,0.4766147838133756,1.2841040024682435,2.749653272190528,4.268051554308907,5.291197969866519,5.83020898638865,6.082098278863295,6.176550941553065,2.207434737452992,0.3793628239745363,0.0199970271220736,7.99283760454241,1.99909390917114,5.152714498083435,0.1725901289674149,7.64378757620805,16.469550064670592,1.106805655009998,13.658266148893365,0.8984548889925136,41.209935053493446,7.64378757620805,16.469550064670592,1.106805655009998,13.658266148893365,0.8984548889925136,41.209935053493446,16.0,34.445060000000005,2.0,16.0,1.2399999999999998,71.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0116,3.313075254729036,3.980532760024422,4.672014889185984,5.369347556344871,6.058254061457086,6.728452900718817,7.373208305974052,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_7,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410175763005088,0.4882687501679896,1.3448891082365175,2.8963110423576466,4.524136256090008,5.633385790073711,6.22126853172794,6.496758005170795,6.600180078543582,2.3206342727944342,0.3858953803445586,0.0202276726894933,9.068483991791403,2.2887477300838186,5.837940918731944,0.2116390352185183,10.003234222206297,22.25939794089922,1.2959503549240723,13.268927239372143,0.775615145994371,46.98914396992844,10.003234222206297,22.25939794089922,1.2959503549240723,13.268927239372143,0.7081162387866591,46.98914396992844,47.0,111.40306,4.0,16.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0116,3.486502014532639,4.15059081296639,4.836973572422647,5.528079134703776,6.21008198686668,6.87302796453022,7.510414534560095,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_8,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414957317544155,0.497586524286196,1.510028049735844,3.483399462274176,5.517061009399529,6.862230468012816,7.562330768682534,7.887527562228629,8.009151034779018,2.749960032891034,0.3896102575859147,0.0203653373823132,10.888154674944763,3.3990348676247706,6.689465660616673,0.5447642074322666,8.436395936150637,18.46695978256409,1.18149679909129,13.615565646805418,0.8266685465287373,44.00810018156709,8.436395936150637,18.46695978256409,1.18149679909129,13.615565646805418,0.8003765125925913,44.00810018156709,47.0,111.40306,4.0,16.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0116,3.357988999647278,4.035758027140616,4.731563382320327,5.42885256642369,6.114783046785169,6.780197844244386,7.419177406519846,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_9,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400890094640854,0.4765234011660423,1.2837051819687486,2.749015130825622,4.267245486336928,5.290259813549987,5.829192010013287,6.081042218904719,6.175479858514678,2.206862298856401,0.3793070002912075,0.0199931125398617,7.988750860070512,1.9979840304806609,5.150317643236175,0.1725685499902881,7.637853686625985,16.45676520357011,1.106083539956168,13.653520549115171,0.8982174086459999,41.18426786559943,7.637853686625985,16.45676520357011,1.106083539956168,13.653520549115171,0.8982174086459999,41.18426786559943,16.0,34.445060000000005,2.0,16.0,1.2399999999999998,71.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0116,3.3142962448875504,3.981513029037049,4.672796972970789,5.3699671150144965,6.058741004263975,6.7288321761545005,7.373500576033129,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_10,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0981469057402561,0.7202267664675199,2.2057011574394347,4.294434912977475,6.212987853812952,7.455323771449135,8.10109822641023,8.401384869973322,8.513773218742337,3.566245674768062,0.516440055080843,0.0034257949713451,13.126367383403096,6.192266267986281,7.735367518203539,1.7847366127127455,0.7449773945307885,1.5769594571642889,0.0714858256196647,0.7250698355921811,0.1083400215925057,3.3422338581159656,0.3999904907690942,0.8177978361176854,0.0024884448673259,-0.1718961141882236,0.0841909383291871,-1.4189028254542084,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0116,7.95525382313649,8.74033202500328,9.514511558154249,10.27434939122572,11.015684804217209,11.73435165722324,12.426687477946617,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_11,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2153731247617004,0.8918105320234636,2.1605964392973007,4.100845328038039,6.000497395100016,7.246679571409077,7.894584720617877,8.195534498405419,8.308097425692635,3.4016324356315,0.7015331680418138,0.0232137991217638,12.667639196240849,5.877249815875903,7.429470703117186,1.708547859114007,1.629178924049875,3.5556747689282044,0.2957061347380293,3.939207867683078,0.1621578358438152,13.889680653804929,-1.2931198394110237,-2.874995619603203,-0.2887536179541504,-3.6587689173152578,-0.0424030775984474,-13.708915217424076,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0116,9.44237414860538,10.215256520097718,10.967460448007662,11.694331464676118,12.392004076069584,13.057657272563372,13.689525017080356,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_12,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1027072962730022,0.7308838448447703,2.212603650163491,4.286639118063511,6.154574394477408,7.341879732453501,7.952575597431795,8.23513076534485,8.340658192628261,3.567146802087474,0.5267763462811249,0.0037770313767692,12.949357196298424,6.228097996343413,7.569984706868379,1.7829356071052271,0.9669244709377134,2.0660901368212152,0.1127213087962353,1.1425198272629884,0.1095488090213721,4.865137243851663,0.2935708292532396,0.5843404339051634,-0.0219494195406593,-0.6081996411166432,0.062414054103459,-2.5050681232066885,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0116,7.927524747000374,8.710670799013371,9.47850011245038,10.22949268574516,10.96096434188001,11.669789071891142,12.352975538204817,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_13,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2131935723087069,0.8854377256121818,2.1806350893715405,4.205276701359837,6.182360171432838,7.47280301301738,8.14191759700091,8.452344811744409,8.568394997438563,3.4749188517626126,0.6955680729540565,0.0231472131411418,12.869277446519554,6.113357120855319,7.463513441153038,1.7266113381501715,2.823443297048607,6.208706170766802,0.3561816897578291,3.463592060796338,0.2238545698922835,14.400093065913191,0.5178395302553942,1.1351051905424638,-0.1049390636008134,-2.580818669130709,0.0410307036229403,-8.116989467154255,42.0,100.4003,3.0,3.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0116,9.322065644340986,10.15877714680098,10.966170963788658,11.739893101067944,12.47660367831564,13.174166379716585,13.831587907596676,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_14,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003705229565195,0.7233691129381705,2.180555929146532,4.148641675646664,5.889850513626227,6.996395283682981,7.567050655390247,7.8315344677956835,7.930392388093676,3.4729716540610083,0.520470138890822,0.0035899214290962,11.92504621366685,5.755247635500383,7.069909405877484,1.7320152096211616,1.5889999749354873,3.491111592283353,0.1340612610514744,1.1242247839359472,0.1937235744891438,5.847084757218946,1.090402463568224,2.393921841449099,0.0343417587780217,-0.2196390258127797,0.1383923282100836,-1.7061576426212532,42.0,100.4003,3.0,3.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0116,7.951022024421405,8.729294177451761,9.495862603076594,10.247790332513906,10.98137428501632,11.69280199120522,12.378647284881104,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_15,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216140478537877,0.890810019702016,2.1264833382335824,3.985646716642764,5.771006897513846,6.925498719373349,7.521251190127601,7.797026115075306,7.900024856655726,3.3197680938544223,0.7024611270962576,0.0231015372396241,11.578825856101702,5.554056622517674,6.805255200053019,1.6568163049293785,2.551239004488392,5.547083903107186,0.4090219239447428,4.562356582612991,0.1784384164525442,17.074643947697204,-0.7508191015631969,-1.7192666662808491,-0.2513896972655749,-4.022994493121138,-0.0527056509710667,-12.97620605403884,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0116,9.466226059225235,10.260760401664465,11.028359809231771,11.765811297323662,12.47041651688416,13.140267231489023,13.774297448467394,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_16,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1578967340902728,0.7798158940194727,1.885250908120406,3.5817533924763807,5.331927625272497,6.515180240941361,7.138602277248578,7.429815987565155,7.538985354914643,2.959003263812901,0.60394096986778,0.009960260241822,9.368825906477486,4.56408271905047,5.324513995898946,1.2698185621700535,2.540490188189601,5.392488211596472,0.1274196049044628,1.5901697036970863,0.5649366767545883,9.148561086798304,2.380433885939616,5.040275995567662,0.0954083444544657,1.1272598856329277,0.5336244597449845,-3.588851564537145,42.0,100.4003,3.0,3.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0116,7.117340826660965,7.917860441316336,8.710301068584958,9.488779083117793,10.24841716140378,10.985096591879866,11.695436861588924,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_17,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1582203156708861,0.7811490794428015,1.865130932205224,3.402780933796373,4.9047546642396265,5.901220018598145,6.423289364365253,6.666722531542537,6.757924074147736,2.852396348643754,0.6050596199153759,0.0099685636138161,7.905667753260468,4.185083688602982,4.397284882554177,1.2400420448965406,2.3720345001189806,4.890157281692386,0.1154553418798429,1.9285037188157004,0.6331460756292235,9.982310444394312,2.071964529034316,4.229837706682085,0.05544134766291,1.1483217939955723,0.612141177653297,-5.538996516282736,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0116,7.086786153824702,7.878650888705901,8.662711359776845,9.433604864742822,10.186759038355428,10.918187358937343,11.624515417158824,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_18,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1584409788786506,0.781253560366652,1.853958027085932,3.3238641374765976,4.736842150437091,5.673532165409163,6.165082973094373,6.394539860646026,6.480550249795155,2.802614844425352,0.6051730265302455,0.0100939036265502,7.287639459189904,3.9324302654896655,4.102960038852355,1.217526050599436,2.697647304255683,5.6376194614136805,0.1887438142382016,2.515175897383452,0.588799303313945,12.073431975260196,1.8569083650263185,3.787529707214624,0.0205960263923286,0.3248288564537014,0.5280444840265273,-6.652725113533417,42.0,100.4003,3.0,3.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0116,7.328440449692741,8.128730564559552,8.919757849081433,9.69566337150762,10.451637954402225,11.183684960988934,11.888584738192494,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_19,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0981020673277819,0.7200794851048437,2.2055331858074334,4.2943742430087495,6.212957096986805,7.455248486347325,8.100980271691585,8.401242773133026,8.513621406852197,3.56614835990802,0.5163141573161091,0.0034226153199719,13.126451437191331,6.1918769487725935,7.735378831215932,1.784455009038769,0.7442612735325286,1.5754926502904658,0.0714831533733817,0.7255440922270221,0.1082088788978175,3.342310809734311,0.3985437449815613,0.8147232514025775,0.0023396476631883,-0.1733214820054925,0.0840086518992498,-1.4229179827834904,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0116,7.959959718342481,8.744150185115693,9.517698796373876,10.277090006281584,11.01810960389628,11.73655220056164,12.428726862573892,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_20,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2154260961483234,0.8919630224171046,2.1607871422750016,4.100879787957079,6.00027801770914,7.2462872802364915,7.894105766395749,8.195016449099809,8.307564966559237,3.401743390048721,0.7016665464519464,0.0232179091580231,12.66711432085479,5.877466755531114,7.42895880333767,1.7087828071409024,1.628901142424403,3.5550814433304705,0.2956942529188872,3.939750257547722,0.1621943573541366,13.890856989052187,-1.2938508191221074,-2.876586231154626,-0.2888561393904149,-3.659404842473205,-0.0423982799541188,-13.713066037311908,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0116,9.446275911849826,10.218464945192864,10.970075332091133,11.696434721674873,12.393666667334896,13.05894205964868,13.690487907664004,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_21,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1027111752659049,0.7309078772053877,2.212678122948867,4.286689734720127,6.154556029537873,7.341811488686576,7.952481614269717,8.235024979036853,8.340548022307354,3.567215413638952,0.5267919749817903,0.0037775372408801,12.948583177013523,6.228036364072074,7.569570946532382,1.7830747046094657,0.9683104428329796,2.068963609686808,0.1127379804380654,1.1409242285002272,0.1096651187775636,4.862861020799549,0.2967369246006228,0.5911311609935584,-0.0215767232084059,-0.6051669189039006,0.0626549725012986,-2.492668332828403,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0116,7.92206939379618,8.705223807168238,9.47317932028302,10.224359222221151,10.956046534305484,11.665096706416396,12.348508183805643,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_22,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2131472100215244,0.8854050952180139,2.180723182353336,4.205076285784661,6.181672209797846,7.471789879912129,8.140742239548272,8.451096220123883,8.567119386482943,3.474867573863792,0.6955168272009891,0.023135441621015,12.865963371658232,6.112734417229067,7.46093850557027,1.726629498393758,2.818906207235151,6.197531396686228,0.3558722212575164,3.4635353070853045,0.2238161222671426,14.393345918119657,0.5134240123939384,1.124197941864008,-0.1052242177107261,-2.5800095599607613,0.0412371696309249,-8.122953628197678,42.0,100.4003,3.0,3.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0116,9.322405469523432,10.158513536447384,10.965509188858997,11.738974347237203,12.475526095225048,13.172998528046016,13.830377622000755,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_23,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003829669045038,0.7233435937023757,2.1802771539296018,4.147938501874095,5.888759206346464,6.995082463527238,7.565635049439664,7.830074122886217,7.928915804903588,3.472420990541629,0.5204682563545405,0.0035911932446126,11.92230193312636,5.752810479779176,7.06898319397929,1.731531480581611,1.5939805588623244,3.503687356561664,0.1346856580139817,1.126450473057703,0.1932122353695543,5.859829679467851,1.0924639624133052,2.400074007212583,0.0343823387241779,-0.2256105217125457,0.1374154006969193,-1.7046509842896982,42.0,100.4003,3.0,3.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0116,7.951643830915677,8.729399244828086,9.495590796795746,10.247239017637945,10.980613669570523,11.691884433913676,12.377612965613856,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_24,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160819751641903,0.8906311127822986,2.1260284266842,3.9848170402477976,5.7699175533701785,6.924286117012834,7.519987192565471,7.795740973698337,7.898732236038601,3.319059650792438,0.702315382345698,0.0230941755131111,11.575041549690992,5.551854232482002,6.803721243550739,1.6562038071497431,2.5513283497027235,5.547242156800074,0.4089976992683252,4.562081669168297,0.1784979206157723,17.07408414266947,-0.7503809713048856,-1.718340892961862,-0.2513441649331966,-4.022362565451487,-0.0526217318547601,-12.975092249956132,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0116,9.472845214433711,10.266740520967756,11.033827883374665,11.770859962106416,12.475113556054955,13.14466252457541,13.77842812819955,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_25,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1578862808372834,0.7797572050951719,1.885139855672007,3.581744718949864,5.332104105719456,6.51549529323442,7.138992926711056,7.430242492161179,7.539425387447149,2.958941403785748,0.6038960655118581,0.0099605326132423,9.370571759340963,4.564215510149733,5.325806160002975,1.2697146866420537,2.536836416916654,5.384248062591567,0.1270453892868297,1.5888323502235655,0.5649025739110594,9.13928153043321,2.377555598646115,5.033742339384695,0.0951892256327218,1.1280796573123346,0.5337052135067553,-3.5942943695640133,42.0,100.4003,3.0,3.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0116,7.125786143473712,7.924675926758782,8.71585275080162,9.493355152534129,10.25224300804658,10.988346713676004,11.698244958977243,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_26,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1582363128532155,0.7811744059810893,1.8650837987730624,3.402675461790698,4.9047949490028815,5.901446327563308,6.423635137411469,6.667128464132354,6.758353225361768,2.852287813065223,0.6050858249832222,0.0099711383078789,7.905226961223957,4.184677290801034,4.397308535368211,1.240017095508843,2.373041233830692,4.892301250180282,0.1155393961107436,1.928509065578991,0.6331843511906551,9.98389912138428,2.073176858434287,4.23243409917297,0.0555665210314625,1.148861689548337,0.6121938449129066,-5.535145275686917,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0116,7.1011120062110304,7.890369477716477,8.672391773045247,9.441685126834242,10.193579012114874,10.924011073489655,11.629547729224168,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_27,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1584189892460361,0.7812108530572991,1.854146597319677,3.3247027662719546,4.7382482589504935,5.675239013699366,6.166924904787879,6.396439904873838,6.48247130080253,2.803216608888232,0.6051286172442978,0.010090760986876,7.292518203472726,3.9329449363659976,4.105656368407509,1.2178525825702224,2.6998157432161287,5.641865783018516,0.1887009579440224,2.506742853024881,0.5883737483230854,12.0521738771208,1.8662068398638072,3.80746604352876,0.0219791772735581,0.3350498363081498,0.5281678818481239,-6.596039701467187,42.0,100.4003,3.0,3.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0116,7.341195295284752,8.138209410703249,8.926645248945595,9.700509191223649,10.45488391625044,11.185684636515072,11.88961977719053,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_28,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,4.755864886886298e-05,0.0154203025081981,0.2571278392100595,1.0927127227980191,2.196818862102308,3.0103545841953747,3.4536571943661225,3.663620295686834,3.742768104327825,0.7462732406316948,0.006173293231485,2.12852350567497e-09,1.9482982463049656,0.3060198848197191,1.3587882489476502,0.0079141097591561,15.212145530106,35.67879294685843,1.2724347641978304,4.020283634681919,0.7069338485921824,35.7778085470771,2.589418905419125,8.513877886339717,-0.1239467360994353,-4.020283634681919,-0.5188658758730332,-11.659559957010806,31.0,76.958,2.0,0.0,0.2799999999999998,42.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.4700000000000002,-71.0,RSM0116,22.336694594492712,22.61455545631322,22.831628698579102,23.00412448109584,23.14328126687044,23.25705791913036,23.351202075212694,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_29,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,4.324573902174522e-05,0.016286469496107,0.2825152204269251,1.188761357580968,2.36483333156432,3.2251949459434432,3.6929453871103655,3.9143207510275486,3.9977485430995134,0.8157241505488262,0.0063878875943836,1.5028982556296419e-09,2.111352752067013,0.3569380108033298,1.4703223918026345,0.0143705273921763,17.61411914744867,41.137231286728266,1.5147949240125456,6.099613460218757,0.8618297026130406,43.12318175586013,2.028666998383014,7.62630213943027,-0.2475183984750174,-6.099613460218757,-0.7258952138163839,-16.51037471957205,31.0,76.958,2.0,0.0,0.2799999999999998,42.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.4700000000000002,-71.0,RSM0116,22.388875250544725,22.65992383454703,22.871260508732643,23.03893698247464,23.17403699923056,23.284384348563155,23.375614202523582,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_30,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,4.748728913648648e-05,0.0153992717969361,0.2567877089071696,1.0918746976182294,2.195985593029646,3.009749163497285,3.453224668540241,3.663278911687189,3.742462447131382,0.7455601290765828,0.0061652032891579,2.121956375479119e-09,1.947853398050554,0.3058211359796874,1.3586746126164408,0.007911302510302,15.214424994927024,35.68352614626155,1.2725600428447614,4.022353005710784,0.7071936848572185,35.77606677870705,2.587255346781236,8.509432425905684,-0.1240645369280993,-4.022353005710784,-0.5194585301724416,-11.657661154457152,31.0,76.958,2.0,0.0,0.2799999999999998,42.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.4700000000000002,-71.0,RSM0116,22.33227003498734,22.61095444138544,22.82864099629359,23.00160553918369,23.14112855394125,23.25519674630722,23.349576770055894,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_31,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,4.313303750034508e-05,0.0162684791888313,0.2825712979992703,1.1895543098207102,2.366599275005405,3.227603978654382,3.695678332657777,3.91720087753452,4.000683137756998,0.8161967434489846,0.0063786142992453,1.4963872836457703e-09,2.114485211632432,0.3573277107463888,1.4726652299649083,0.0143791865823872,17.61243675612304,41.13331973143109,1.5145613185115467,6.097413261551153,0.8617428467584808,43.113657531926506,2.028905571660358,7.626629393135196,-0.2473779425255211,-6.097413261551153,-0.7258404274021545,-16.50280663621996,31.0,76.958,2.0,0.0,0.2799999999999998,42.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.4700000000000002,-71.0,RSM0116,22.39188800041735,22.662559773161703,22.873571331961,23.04097088431409,23.17583585115872,23.28598346959832,23.3770430224869,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_32,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0639589126766174,0.3519450437768662,1.2522567753479523,3.033294229420184,4.924968325256799,6.20320941702629,6.875816988074064,7.189819640894254,7.307503972663997,2.36491184622677,0.2572661674388282,0.0042047194376988,8.778920090059009,2.6639716400978983,5.425189552818256,0.3714336905687337,11.633381619621678,27.08753171714896,0.9479041660682896,5.038881343808921,1.0224797029153587,31.52331011215948,6.9608495398852455,17.314289555370742,0.5069988319242388,-4.853233156025816,-1.0224797029153587,16.091623417117706,40.0,96.4116,3.0,1.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0116,15.512220682163436,16.252998021020385,16.914956359055086,17.5092639843587,18.04485057029565,18.52896398496439,18.96759864898332,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_33,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0705326363585494,0.3517078822208348,1.1168250883918172,2.583118221428496,4.176405570148842,5.273722824220599,5.856687670305536,6.130013158630134,6.23263436844582,2.030041137520867,0.2635420151040049,0.0051286854762121,7.012087357954869,1.8658926742495248,4.448912363779951,0.2130996576331607,9.086399083408985,21.022672753486145,0.7607285305654173,3.5236257094116272,0.7450612393292425,25.59089493278057,5.900538654402215,14.368667077277578,0.4694753617126191,-3.196907057281792,-0.7450612393292425,15.397034022932637,40.0,96.4116,3.0,1.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0116,15.5570467564803,16.244175347914645,16.8603343544419,17.415649286593965,17.91841596986271,18.37537724488086,18.79203147658057,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_34,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.069184786664422,0.3494983212677318,1.1591881727280589,2.763124722257007,4.450272408277739,5.574342605287725,6.160662828430345,6.433209789673984,6.535169060881907,2.161487740542736,0.2609969099214855,0.0049338921564086,7.250770556962611,2.149612706740668,4.416011021113352,0.287848569792729,10.116339913374922,23.69252599935137,0.8267628609925416,3.1759785106466354,0.7136164521514319,25.9844784571524,7.536516683630266,18.29206632424066,0.5790550629406771,-2.9241210363148524,-0.7136164521514319,17.31470552533715,40.0,96.4116,3.0,1.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0116,15.978777992335734,16.644304570236155,17.23535051453847,17.76525593541036,18.243809935732752,18.67834901177933,19.07451463294545,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_35,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0655048491101697,0.3524924907988441,1.1011299258892315,2.322518749750225,3.5537460574514013,4.3890340242774695,4.832354331144882,5.040357644387394,5.118492246000497,1.8797122971511493,0.2603510413660861,0.0043953877917645,5.398103442068325,1.4130562912196585,3.477220183715405,0.1704740433595621,10.691712544840762,24.76210345660032,0.900384745683636,4.881389670452383,0.9350137853946072,30.19905832466207,6.206078191375932,15.357358347213928,0.4553645843333024,-4.609343440296424,-0.9350137853946072,14.623352677400394,40.0,96.4116,3.0,1.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0116,14.981319832887024,15.74369901753104,16.429954565838518,17.048925308290883,17.608466894297234,18.11539408247906,18.575575632000483,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_36,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0753573158555076,0.3458634716475164,0.9857951833214345,2.147968277727948,3.384155887241952,4.229507126464747,4.677785671941002,4.887866668156809,4.966732897698841,1.7139089904631513,0.2653576383296033,0.0058637349407352,5.146078013112921,1.1122994519779847,3.3588443843868103,0.0650973516161061,7.203094786365424,16.241820573212102,0.7092457230807967,5.26435749517888,0.7227542228026472,24.83607705932465,2.338143963230808,5.937154505135743,0.1251084266842142,-4.898938284270284,-0.7227542228026472,4.391271685444276,40.0,96.4116,3.0,1.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0116,16.596140290187186,17.15690759003531,17.65907925885186,18.11292662265513,18.526207190879084,18.904776801322488,19.25309120641244,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_37,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0589853902168554,0.3524105758127941,1.308470811525286,3.0643350468279165,4.826927502093233,5.989809341735341,6.59601351435372,6.877951061597884,6.983460463668376,2.4214524337354586,0.2525368715544555,0.0035678010010885,7.708902775215151,2.658713744773484,4.630845820015331,0.4337831958765742,15.517616877269882,36.54258338592401,1.2673570959855731,5.751315025003089,1.1312941595273769,38.65203903228432,10.804779152585963,26.60940994007766,0.7492966216710835,-5.620625746795494,-1.1312941595273769,20.51992243127717,40.0,96.4116,3.0,1.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0116,15.56132859713261,16.32922647793468,17.013474568653276,17.625709291172836,18.1753041230253,18.66996044989378,19.11613193762196,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_38,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0639310220496859,0.3519192497871241,1.252181638325842,3.0326739529163222,4.923749377041997,6.201658089822373,6.874116767302099,7.188055936176952,7.305717445595164,2.364517017845561,0.2572306657329933,0.0042009782394669,8.77578435393689,2.663007650995722,5.423365927763264,0.3713829861560709,11.629810571293234,27.079489631381136,0.9476155139355616,5.036682572654099,1.022009682446037,31.511377093282764,6.95973338563251,17.311331629484883,0.5068927598654918,-4.851167258710646,-1.022009682446037,16.086080700830326,40.0,96.4116,3.0,1.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0116,15.552472450050104,16.28753348003899,16.945070310972092,17.535865846196362,18.068597065612085,18.550342332142595,18.986979601624096,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_39,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0705646534977116,0.3517192462756064,1.1168458243564396,2.583817492954108,4.178046050955607,5.276013239116248,5.859316927493453,6.132799435575641,6.235479283395154,2.030439282276915,0.2635720436396279,0.0051334548527476,7.016995330971284,1.867139465378692,4.451972770629047,0.2132419336837174,9.0844395542039,21.018600200476804,0.7604990241937553,3.5237878895045505,0.7450211342252759,25.58190507204489,5.89824661758861,14.363869715788882,0.4691860383359854,-3.197684505980542,-0.7450211342252759,15.385950567022944,40.0,96.4116,3.0,1.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0116,15.572536977280386,16.2599184326216,16.875948714023394,17.430904971359986,17.93317766266614,18.389569435601643,18.80561688389497,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_40,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692062200106952,0.3495045422231452,1.1589376275841448,2.7626105682038404,4.449761726336077,5.573924697776221,6.160313559336898,6.432896423481988,6.53486973199363,2.161031596274608,0.2610197375750509,0.0049369930108685,7.248905612749122,2.1484178264361167,4.415442348888753,0.2877018861910803,10.111441870457952,23.681471854765537,0.8262452403438001,3.1743633025324773,0.7134234992571677,25.968156208663657,7.532497501328743,18.28294548613013,0.5787125626175242,-2.923094533063793,-0.7134234992571677,17.304512488244,40.0,96.4116,3.0,1.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0116,15.97172563515572,16.63719896047266,17.228573281262697,17.758979759412565,18.238094110946,18.67319289861213,19.06988756007024,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_41,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0655016092125719,0.3524925267831025,1.101341607411941,2.3232740310679443,3.554933213339348,4.390416201192244,4.833810986868146,5.0418429162956375,5.119987271150541,1.880273446549081,0.2603449705634494,0.0043950210858151,5.399775303237338,1.4138490098908132,3.4780905110871374,0.1706775196713768,10.682100536252833,24.739125110873747,0.8996468721641332,4.881298914868626,0.9346713022159496,30.179106369213294,6.195585527548404,15.332497888673364,0.4545047158410092,-4.60952927419155,-0.9346713022159496,14.59913089790395,40.0,96.4116,3.0,1.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0116,15.217857754097407,15.952187683128228,16.61512918596848,17.214478278763227,17.757334162402135,18.24994593516304,18.697749849589457,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_42,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0753224615415322,0.3458465112665803,0.9863339904877144,2.1497158303932205,3.3868865923119107,4.232734253854889,4.681226638653083,4.891397178924862,4.970295347934804,1.7152311182139877,0.2653164325153662,0.0058582341724957,5.148591230389766,1.1145937635672207,3.359606702638911,0.0655361574331218,7.2201175170769885,16.28380893758462,0.7101806208578451,5.253507654325588,0.722702274607527,24.85609646427716,2.3672954806086053,6.0051678869322815,0.1278240751195654,-4.887511589245617,-0.722702274607527,4.473617363437367,40.0,96.4116,3.0,1.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0116,16.797480317061673,17.3308693641431,17.811026467136333,18.246907540375886,18.645327799122967,19.01145611405192,19.34923963265428,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM0116_43,RSM0116.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0590133015940915,0.3527755543186886,1.3103212175969072,3.0680191841176443,4.831905234525896,5.995486527338374,6.602021005807667,6.884105326739169,6.989668610739235,2.424556052722715,0.2527484878658534,0.0035707101074671,7.722407320779988,2.666234692681466,4.637520977215124,0.4353031690451338,15.510482793898042,36.52525989386137,1.2672056874352762,5.76815759261377,1.131965938602394,38.64698995940344,10.78124635365768,26.55673608142343,0.7465791970573222,-5.639218520534018,-1.131965938602394,20.42506279617505,40.0,96.4116,3.0,1.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0116,15.571045730954564,16.335551673483025,17.017574673596382,17.628335455824296,18.17694513010297,18.670937970714665,19.11666006030893,Cl[Cd]Cl.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Cd]Cl, [Cd], topology "
RSM1162_0,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.000881009907648,0.1308320483603542,1.1747012574598874,3.1073489284949942,4.81353915792582,5.849333328049749,6.368533991588224,6.605918381408213,6.694137472284215,2.429787749735156,0.0606750050129349,1.1703527403849105e-07,7.085338767089272,2.757561451180213,4.045596130848885,0.4019303417627769,41.00148397974845,98.8215595750113,2.999999999999999,2.998516020251549,1.659339629011939,75.99258010125774,-41.00148397974845,-98.8215595750113,-2.999999999999999,2.998516020251549,1.659339629011939,-75.99258010125774,-41.0,-98.8186,-3.0,3.0,1.66,-66.0,-43.0,-102.8073,-3.0,1.0,0.7699999999999998,-76.0,RSM1162,21.82206042057931,22.017445152123976,22.169417074542785,22.289856056524208,22.386869642098205,22.46613424902869,22.53171465500868,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM1162_1,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.0008810645227909,0.1308349607797913,1.1747095235336094,3.107358751657351,4.81355050765459,5.849346178331157,6.368547751160705,6.605932588452871,6.694151850414754,2.4297971924907498,0.0606767395562253,1.170449165365019e-07,7.085340058219503,2.757602113436439,4.045558077976789,0.4019412295459216,41.00147134213849,98.8215343711939,3.0,2.998528657861508,1.659345252748371,75.99264328930755,-41.00147134213849,-98.8215343711939,-3.0,2.998528657861508,1.659345252748371,-75.99264328930755,-41.0,-98.8186,-3.0,3.0,1.66,-66.0,-43.0,-102.8073,-3.0,1.0,0.7699999999999998,-76.0,RSM1162,21.817327143169845,22.01272974675719,22.164715454925908,22.28516527953528,22.38218753804815,22.46145918547693,22.52704538149211,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM1162_2,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.0008993470909008,0.1319637575167077,1.1794974225998984,3.113352896487258,4.8175082584144135,5.851049570886568,6.368881161733389,6.605591134822723,6.6935521746828215,2.435882160391836,0.0613024957120716,1.2269026471879888e-07,7.096441590136649,2.77336763451783,4.047007415008921,0.4058681741510718,41.00186531559458,98.82232009215603,3.0,2.998134684405418,1.659169934560411,75.99067342202709,-41.00186531559458,-98.82232009215603,-3.0,2.998134684405418,1.659169934560411,-75.99067342202709,-41.0,-98.8186,-3.0,3.0,1.66,-66.0,-43.0,-102.8073,-3.0,1.0,0.7699999999999998,-76.0,RSM1162,21.98998649698208,22.188942599093533,22.34375779994692,22.46649121546337,22.56537923882908,22.64619238077289,22.71306516008284,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM1162_3,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.000900498467312,0.1309937590675187,1.1736013798678475,3.1069506291779723,4.8177341851849,5.858014005950516,6.379904074605682,6.618610693442036,6.707335559810027,2.4285965687297204,0.0608575543695654,1.3016047347786948e-07,7.097335353232109,2.7555490924952744,4.055345487631743,0.4011570043043676,41.00181900611117,98.8222277348378,3.0,2.998180993888828,1.6591905422805282,75.99090496944413,-41.00181900611117,-98.8222277348378,-3.0,2.998180993888828,1.6591905422805282,-75.99090496944413,-41.0,-98.8186,-3.0,3.0,1.66,-66.0,-43.0,-102.8073,-3.0,1.0,0.7699999999999998,-76.0,RSM1162,22.128702009444844,22.326390484710785,22.480270366146858,22.602297429149125,22.70064085552104,22.78102630904995,22.847557660884245,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM1162_4,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411948998291952,0.4839969331596518,1.320721470739855,2.738914355732502,4.100408755679012,4.976057580965044,5.427009089961139,5.635615453288921,5.713509608467938,2.2287281086994075,0.3833419621642175,0.020325928691627,7.084661236498496,1.8583067392692,4.828537075540741,0.4094226966598666,4.822306685251948,10.494963412694368,0.8512003520452226,11.631909501613729,0.5499258148523242,35.47249121690584,4.822306685251948,10.494963412694368,0.8512003520452226,11.631909501613729,0.5499258148523242,35.47249121690584,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1162,3.715455099947346,4.422098731770571,5.142713787036994,5.859416352954769,6.559048560203656,7.232751991386765,7.875225092248717,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM1162_5,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406142348969445,0.4738464109437523,1.262455407387754,2.6544631107030003,4.033961432222042,4.931492595353629,5.395358486768331,5.610187167882371,5.690436865875273,2.1463954903239,0.3779806705037494,0.0201851762982168,6.929749969759726,1.7035595763088307,4.704418380246106,0.2967257940546278,5.695950848174402,12.277147561440234,0.88983422797414,12.814624671967524,0.8662589499860961,33.8086417173178,5.695950848174402,12.277147561440234,0.88983422797414,12.814624671967524,0.8662589499860961,33.8086417173178,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1162,3.736676640839224,4.441272606344939,5.1597241447228015,5.874351898764276,6.57210900819057,7.244188741767837,7.885306153113008,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM1162_6,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412198032583087,0.4840873752631977,1.3208096883043317,2.7416680792056245,4.108627053597179,4.988827120117241,5.442357898227255,5.652203260720616,5.730566937402262,2.230107422141054,0.3834315853297357,0.0203313410499863,7.092732999544013,1.858415842522104,4.834229376095978,0.4115749635251882,4.806361959504098,10.45938527304792,0.8475352315796364,11.586643812141183,0.5497025127675055,35.29565641305405,4.806361959504098,10.45938527304792,0.8475352315796364,11.586643812141183,0.5497025127675055,35.29565641305405,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1162,3.685864695202005,4.391695256720576,5.111609652972155,5.827749480081994,6.526961320380296,7.200376619379536,7.8426755056984065,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM1162_7,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406377634044594,0.473568439696501,1.2618623765901338,2.6550218579038,4.035814453292049,4.9341489394846105,5.398414532747306,5.613424446954667,5.693741189889477,2.146478304379261,0.3778408203622596,0.0201928948898492,6.926501892412419,1.7071191025402814,4.696645543631403,0.2931876788721681,5.709535457574361,12.305949389486418,0.8914921772562702,12.841472875624524,0.8691954462650848,33.856775120067084,5.709535457574361,12.305949389486418,0.8914921772562702,12.841472875624524,0.8691954462650848,33.856775120067084,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1162,3.7260450524060382,4.430754095075795,5.149129969686846,5.863551919163835,6.561016740258969,7.23274474325969,7.873464478441052,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM1162_8,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412411176643238,0.4847715116537379,1.3246802207987962,2.745891905285162,4.107800804351225,4.982865055897389,5.433325988437582,5.641668811273098,5.719459089080944,2.234983418801359,0.3837825826202377,0.020336009169207,7.093833843647697,1.8652888474995808,4.838486888441074,0.419670217575631,4.770599872844167,10.382901385378643,0.8425287135642566,11.510829581358218,0.5431756054826724,35.124010585277134,4.770599872844167,10.382901385378643,0.8425287135642566,11.510829581358218,0.5431756054826724,35.124010585277134,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1162,3.695917659453665,4.401875599224014,5.122179836119847,5.838876840696901,6.538740910836072,7.212853671032328,7.855863643722014,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
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RSM1162_17,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405899957536105,0.4737986165818509,1.2628887062433336,2.656908243560192,4.0386686456618826,4.937562649949038,5.402075202160956,5.617188316783464,5.697541724158727,2.148026905784975,0.3779341470198959,0.020178403495079,6.945043828117453,1.7074176013537228,4.713509634604731,0.2968120049179838,5.695413600071755,12.276375740692366,0.8901248556165855,12.81641244500444,0.8654749477508331,33.83167189280222,5.695413600071755,12.276375740692366,0.8901248556165855,12.81641244500444,0.8654749477508331,33.83167189280222,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1162,3.733794008137895,4.438668658580961,5.157268427045701,5.871949493213501,6.569699017809912,7.241737808459513,7.882801159918007,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
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RSM1162_19,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407121060628544,0.4740372398331056,1.2604420352970764,2.645384439037933,4.018473627887021,4.912637443924569,5.375021392745359,5.58922202101598,5.669246413044029,2.1399520974920634,0.3781761891710378,0.0202122079624596,6.895069165762202,1.6961290956505473,4.6816295093941065,0.2923840846679374,5.747195026000362,12.385978186344172,0.8962665602082937,12.917327507666707,0.8770019861796102,34.002684084578746,5.747195026000362,12.385978186344172,0.8962665602082937,12.917327507666707,0.8770019861796102,34.002684084578746,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1162,3.7349785251169503,4.440427420147336,5.159488129450824,5.874510014968102,6.572477563362803,7.244609944186287,7.88564090681459,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
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RSM1162_101,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0673026550737065,0.3398413266364604,1.0191015817132945,2.1895465761053323,3.3868542456210182,4.193760249935511,4.619451875157807,4.818555581598027,4.893244092803535,1.7600819140768158,0.2555184725000027,0.0046681191210801,4.787609125111674,1.1933910445115854,3.0628730180102828,0.1289278681084481,6.017543554665218,13.091424570994928,0.6329691953440666,3.7983945876944274,0.7359699333657665,23.51588648925392,2.2430452689185603,5.10895156151857,0.1918460701585591,-3.7983945876944274,-0.7359699333657665,8.076577107761153,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1162,15.069884071026332,15.83304459283891,16.51278985632031,17.122808428442184,17.67344080132062,18.17266905232933,18.62680981150533,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM1162_102,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0660277380133925,0.3559659506012363,1.2095031897235498,2.7284645268944727,4.233949460640045,5.2230055001040245,5.738013517646278,5.977463813560181,6.067065143598107,2.1756381366010142,0.2614001783454784,0.0044773679252219,6.344017050683452,1.9982483621488187,3.907981238041667,0.3222171467802701,6.372430338440608,14.4659536920681,0.6166289531222673,6.324277240550567,0.7990073012012506,21.49807380107408,0.2155881659979522,1.4125527806809777,-0.1345788186511531,-6.324277240550567,-0.7990073012012506,-4.794198210995631,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1162,14.401375878008908,15.241741813060376,15.990030608389525,16.66007146810096,17.262841783885825,17.807144443803402,18.30015013257614,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM1162_103,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0670936967868029,0.3355936475140385,0.9963589325787382,2.1435333561659524,3.2906067319300205,4.042742063701993,4.433133131277375,4.614304715948187,4.6820410179706045,1.7239495277846462,0.2532305101801877,0.004645353562755,4.990182006968325,1.1979822397711857,3.22602271649366,0.1086479689870789,5.3548569677335145,11.366167197398305,0.5593962408946866,2.588621064754973,0.7274324142427131,22.562591868392776,2.487404823384145,5.3730177606525285,0.2932045912864254,-2.588621064754973,-0.7274324142427131,13.245884132103637,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1162,15.738506420061404,16.343546189503062,16.892213344375506,17.3924485651337,17.850263057703316,18.270337039765444,18.656440135556675,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM1162_104,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0652549793672035,0.3539421774685242,1.1943017486912255,2.730654234347628,4.27143774117246,5.2783380659182,5.799627669516456,6.041223451953635,6.131498054648692,2.166680836659169,0.2600994411833948,0.0043696268217657,6.50636059253821,1.9012394996494344,4.1402192972684535,0.336581814700438,6.238121481821412,14.096290008872469,0.5657291023241617,6.001885326184056,0.8734110900113068,21.282431640143287,0.060098774419125,1.0837418987697545,-0.1048837177211957,-6.001885326184056,-0.8734110900113068,-2.189017061444224,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1162,14.50481829894143,15.35307229064384,16.105651390323104,16.77780687028359,17.38131695869665,17.925453561901843,18.41767720046442,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM1162_105,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0677731082404307,0.33975145288378,1.01609647399151,2.1862769561335496,3.384956653403277,4.192884210327248,4.619095040654976,4.818434481830226,4.893210155986054,1.7565495995902614,0.2558423031793758,0.0047356974487669,4.774602967484396,1.1824509362538989,3.0601995039604497,0.1276528441607921,6.051376409946742,13.158607466746073,0.6394705422189281,3.938294997732053,0.7460989631624168,23.76057500334873,2.1436238554259,4.891046584648917,0.1795966564287648,-3.938294997732053,-0.7460989631624168,7.664989000693019,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1162,14.86259180082864,15.6501225811475,16.349846800705233,16.976410280768203,17.540909474701785,18.0519094925041,18.516170647893336,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM1162_106,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0663405856411943,0.3563768016937656,1.2081157641125226,2.7275084827532123,4.238063902431173,5.232080998251014,5.7500356093186165,5.990926041967201,6.081076742838645,2.173872544597196,0.2619005726058364,0.0045200919732581,6.351558817753983,1.9844264008192776,3.929127148955296,0.3272933546153077,6.3860447397124815,14.494595938327144,0.6150593015796628,6.311525169886628,0.8055676856812156,21.537413638276163,0.2202376241904028,1.4279302666868452,-0.1316727871477444,-6.311525169886628,-0.8055676856812156,-4.598209467183091,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1162,15.187956758931527,15.950268580752022,16.629906729696838,17.23999230874479,17.79051832769386,18.289271626746576,18.74248095093357,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM1162_107,RSM1162.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671194003336544,0.3364578913834996,1.001604805262296,2.1544929467144045,3.3048209468162018,4.058258985114895,4.449137059511136,4.630497208425976,4.698298332905848,1.73317619949874,0.2536958730194125,0.0046473634687294,5.009815945279285,1.2111517759946715,3.2358645172777423,0.1126289187134493,5.33631384840611,11.332847879819932,0.5568129345778495,2.507930994722809,0.7180262984315953,22.405080245555293,2.5573710594554124,5.525992799617528,0.300102981174313,-2.507930994722809,-0.7180262984315953,13.42023187643152,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM1162,14.81607919828765,15.619299245503948,16.33170838016783,16.968506807785626,17.54120729345063,18.05870533459964,18.528035561015106,"[In].[O-]C(=O)c1ccc(s1)C(=O)[O-]dia,.cat0","linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [In], topology dia,"
RSM0574_0,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,58.0,140.116,6.0,3.0,1.12,204.0,0.0005292796472571,0.070192883500418,0.6626330957105191,2.014664471693404,3.4750998114707783,4.469228496928183,4.994759973102703,5.24068843556795,5.332956655179546,1.502405740826365,0.0328986387662681,1.0773567617062138e-07,3.829860446944825,1.098907623435574,2.4707578364073863,0.1212848741945815,50.2207180350916,124.5886051383469,4.030859181833316,12.65584523757514,2.279641440321704,139.05655255287405,-50.2207180350916,-124.5886051383469,-4.030859181833316,12.53240851024188,2.279641440321704,-139.05655255287405,-50.0,-124.11660000000002,-4.0,13.0,2.32,-128.0,-57.0,-139.10806000000002,-5.0,-2.0,1.08,-173.0,RSM0574,18.39208217151545,18.691113400215777,18.927762260152893,19.11790381721983,19.272764265801488,19.400431957144303,19.5068366066142,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_1,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,58.0,140.116,6.0,3.0,1.12,204.0,0.0005341375122396,0.0708527123226529,0.6670539445787975,2.026886074562652,3.495296655311021,4.494402661846398,5.02239916178648,5.269440924031462,5.362120205167737,1.51169587752497,0.0332362769868184,1.0499400134634813e-07,3.880657557133498,1.1117092219539293,2.504745247863979,0.1234039047321335,50.20410050698859,124.5531699166716,4.028634126302249,12.68136298780241,2.282864261206796,138.98388630621452,-50.20410050698859,-124.5531699166716,-4.028634126302249,12.566826482593417,2.282864261206796,-138.98388630621452,-50.0,-124.11660000000002,-4.0,13.0,2.32,-128.0,-57.0,-139.10806000000002,-5.0,-2.0,1.08,-173.0,RSM0574,13.871519616092284,14.124329663625788,14.324663555966076,14.485809114652184,14.617182879672194,14.725581522915116,14.815995447562427,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_2,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1447498022740992,0.5083618261219164,1.5011394787870849,3.330846745657185,5.185983494063279,6.4169110435542445,7.06060170662992,7.360433874308277,7.472714534448783,2.6581407896451856,0.3980117152041328,0.0212573297200612,10.416621025158395,3.122090756526558,6.616893155836094,0.5174459438641139,3.0602870007472185,6.637400073227539,0.5178754763524123,7.203290811566517,0.3957720629869102,20.94984834093276,3.0602870007472185,6.637400073227539,0.5178754763524123,7.203290811566517,0.3957720629869102,20.94984834093276,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0574,3.692958873871907,4.397952636353261,5.118963511834087,5.837174177771333,6.538636640470171,7.2139305678433425,7.857403432933134,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_3,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425485580190003,0.498115071704293,1.5237458133572013,3.559393697725942,5.684656918712914,7.102338504490198,7.84347970202775,8.188460476357086,8.317597163990031,2.799170885480168,0.390368817866081,0.0206677381653922,12.02157937127108,3.3648915577503464,7.752204559993997,0.6357676054289636,4.685134938321078,10.303696604089852,0.7693538581724209,10.059023395184,0.520220828607005,31.316903592251183,4.685134938321078,10.303696604089852,0.7693538581724209,10.059023395184,0.5024646643712628,31.316903592251183,57.0,139.10806000000002,5.0,15.0,1.2399999999999998,173.0,0.0,0.0,0.0,0.0,-1.08,0.0,RSM0574,3.4657717193786324,4.136896987440359,4.830677238376103,5.5282149448639935,6.215125989600632,6.881337552178215,7.520449339538577,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_4,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140304217320915,0.4839770249697067,1.307707634460895,2.987186645282069,4.898093389011603,6.2362430120532295,6.951341665531655,7.287369858822099,7.41364179585398,2.3401622815052896,0.3849615821767394,0.0199212700746282,10.013084451256471,2.1959079598651745,6.884041716930135,0.3422462281229761,3.986522759159224,8.719215196019263,0.7451560177729406,9.94777090134275,0.3885685146648445,32.228307448309714,3.986522759159224,8.719215196019263,0.7451560177729406,9.94777090134275,0.3885685146648445,32.228307448309714,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0574,3.2805318097280645,3.8761543709054207,4.498089400476401,5.131873181939148,5.765394717571531,6.389282427680542,6.99681805611328,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_5,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1423747935351278,0.4883701254297691,1.3227036875705689,2.815917703754488,4.376112730924466,5.434913890908367,5.994452634371385,6.256266977441179,6.354490260256382,2.262669329159664,0.3870139432341642,0.020616479194023,8.859669612027616,2.096912494309606,5.85722851925201,0.1877860002572584,3.798803853484488,8.185934201949529,0.5912791237472335,8.529036843462357,0.5865933771774252,22.39551939488392,3.798803853484488,8.185934201949529,0.5912791237472335,8.529036843462357,0.5865933771774252,22.39551939488392,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0574,3.403720896837056,4.084101395104359,4.789198222009505,5.499213070664495,6.198864176710598,6.877372767161862,7.527866042700963,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_6,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1396912402629962,0.4815971404405018,1.3383883131433327,2.936209687792288,4.6169284370241614,5.7565672763146285,6.358326670165479,6.6397827529539,6.745356978310355,2.3411213562342192,0.3813608980478714,0.0198701892041673,9.028398159590877,2.207047353141249,5.970927472152709,0.2917784641531827,5.225824402788981,11.499806292939574,0.7921677089057602,10.340466671939469,0.6482779515138973,30.71263377184067,5.225824402788981,11.499806292939574,0.7921677089057602,10.340466671939469,0.6204776282662502,30.71263377184067,57.0,139.10806000000002,5.0,15.0,1.2399999999999998,173.0,0.0,0.0,0.0,0.0,-1.08,0.0,RSM0574,3.3935052337491385,4.061072601430281,4.7538479019063065,5.452449860300472,6.1419975239598585,6.811996763468269,7.455724835175138,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_7,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1390645013212549,0.5050316510399249,1.4546712573601532,3.15152532862599,4.867168615173168,6.005310780648868,6.60040060158763,6.877573742012047,6.981365679506583,2.529051934776527,0.3940594435937254,0.0195325584856026,9.011165890109467,2.5483729846199035,5.937486672425938,0.5205275702973415,1.7812769204560972,3.897307306340075,0.3342705748266502,4.455441519069299,0.1708574838875221,14.492555635585031,1.7812769204560972,3.897307306340075,0.3342705748266502,4.455441519069299,0.1708574838875221,14.492555635585031,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0574,3.0605641269767863,3.636244858419629,4.242237772353084,4.864142303611153,5.489691786346317,6.109209334881756,6.715585246105235,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_8,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1463408694959165,0.4915935419130156,1.3271563254144745,2.773373497017401,4.201206571305142,5.136609411648332,5.622741044180085,5.848540189074354,5.932996393913709,2.248014751608808,0.3909542371611431,0.0217904682456394,8.928634073259047,2.167630154904167,5.746428036512542,0.1675311368837758,3.694603179441904,7.962995999609503,0.5766671478621082,8.307940362338767,0.5659716736710713,21.893684453138054,3.694603179441904,7.962995999609503,0.5766671478621082,8.307940362338767,0.5659716736710713,21.893684453138054,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0574,3.745928244771712,4.45412992053541,5.176471604338631,5.894563729598883,6.5948166088370215,7.268086738523579,7.908924755367081,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_9,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1454280531258015,0.5135611280154941,1.55497269849851,3.4789136828102167,5.402735930601393,6.661949497418824,7.315172360624678,7.618266620530838,7.731580898813456,2.773895836184133,0.400468147522601,0.021467858428908,10.587138820107292,3.317233216200107,6.752473263476566,0.6243612865365749,3.6871394838389495,7.992677357610185,0.6200043918254682,8.647174618442694,0.4782688356355795,24.96461000858802,3.6871394838389495,7.992677357610185,0.6200043918254682,8.647174618442694,0.4782688356355795,24.96461000858802,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0574,3.671726010593495,4.359586620225322,5.061557702678255,5.760376358618741,6.443273657264236,7.101575064022858,7.730006040592388,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_10,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1455504959916327,0.4921002780053645,1.2925675051331,2.764961176789399,4.314730126936142,5.3618085226743855,5.913300702710642,6.170929236993738,6.267515506791669,2.2157295896650733,0.3925392680628177,0.0214395647302122,8.326711649414028,1.8937931717310983,5.658920317900393,0.3012251074199369,3.990866646249603,8.716607403122106,0.7341288055926096,9.86389709099048,0.4138541649178252,31.43468316023466,3.990866646249603,8.716607403122106,0.7341288055926096,9.86389709099048,0.4138541649178252,31.43468316023466,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0574,3.338268172900636,3.9540476517255496,4.5903677325086445,5.233147437235595,5.870859594717309,6.494773166618298,7.098791309346795,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_11,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1446220634263733,0.506273822180312,1.492019065626993,3.3182480059696884,5.17605440252556,6.410090132868087,7.055593199635887,7.356294182774936,7.468903058213463,2.64576813611515,0.3967833211045604,0.0212309930613139,10.383773861341227,3.081819611538175,6.595434794522818,0.4981635191405854,3.076577164422356,6.671971057989309,0.5198964455287713,7.235748728652527,0.3992061615005489,21.00986536490221,3.076577164422356,6.671971057989309,0.5198964455287713,7.235748728652527,0.3992061615005489,21.00986536490221,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0574,3.649950456195171,4.352431263424595,5.071388102554928,5.7880111810412105,6.488324868701114,7.162860286285382,7.805907142245138,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_12,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1441274177768994,0.5016552443237521,1.533843968687286,3.582105499991485,5.721636245095215,7.149118301040638,7.895410038743469,8.24278888797112,8.372822997382055,2.8170279912117966,0.3932087440311575,0.0211233838244242,12.14140443684571,3.433780535970303,7.817142654093098,0.6757156102871125,4.743140375209523,10.436640077064675,0.7767128957400737,10.130580462789096,0.5251404993613326,31.59353148323997,4.743140375209523,10.436640077064675,0.7767128957400737,10.130580462789096,0.5063538862116842,31.59353148323997,57.0,139.10806000000002,5.0,15.0,1.2399999999999998,173.0,0.0,0.0,0.0,0.0,-1.08,0.0,RSM0574,3.5789112824965086,4.259309873789024,4.959045606079117,5.659671852497775,6.347324575724149,7.012419876162367,7.648974795589343,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_13,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1392599150429479,0.4830956114442309,1.3171964680174069,3.024412856722215,4.962927726300279,6.317983466042172,7.041449367878161,7.3812669812428675,7.5089406451926015,2.366967575629392,0.3837303488883821,0.0196246319200893,10.213791732055428,2.26942879186166,7.004514141779077,0.3647259217939214,4.030427074082419,8.81392837231021,0.7520786229826177,10.047056057943358,0.3955441580368882,32.49336823837113,4.030427074082419,8.81392837231021,0.7520786229826177,10.047056057943358,0.3955441580368882,32.49336823837113,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0574,3.198852789604042,3.785697809257749,4.4007130958351,5.029522252960641,5.659914591263792,6.282320639094775,6.889786540365451,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_14,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409733021471658,0.4838410859522051,1.3023158844523015,2.759235589434,4.280038654004735,5.3127645479437975,5.858820595530783,6.114398728174631,6.210294289195868,2.2198978376627383,0.3837548268405236,0.0202266239301379,8.582291058282033,2.0001754378288457,5.693215579987967,0.1742670542560399,3.676560124298533,7.91624009671292,0.5661853464780533,8.206042896122957,0.5785533328247879,21.250173631971062,3.676560124298533,7.91624009671292,0.5661853464780533,8.206042896122957,0.5785533328247879,21.250173631971062,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0574,3.3525935341002,4.030484151276959,4.733807999834102,5.442791543175564,6.1421293734008025,6.820995277795903,7.472459958629247,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_15,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1396466524223171,0.4823629230417244,1.339556751481663,2.9246744402127485,4.583534545365939,5.706388366389184,6.298980170226846,6.57610372911279,6.680047173087003,2.3357100500961376,0.3817680245896966,0.019852456744937,8.93856373954837,2.186847079679856,5.912273954250447,0.2892361744910609,5.151224281710292,11.30716728302156,0.789607677088356,10.438528994980077,0.6501941955757109,30.68685939785665,5.151224281710292,11.30716728302156,0.789607677088356,10.438528994980077,0.6267853273712471,30.68685939785665,57.0,139.10806000000002,5.0,15.0,1.2399999999999998,173.0,0.0,0.0,0.0,0.0,-1.08,0.0,RSM0574,3.372756008930985,4.036795042801671,4.726535586856546,5.422693920272923,6.110405668996147,6.779140691015178,7.422111596162388,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_16,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1392454249863085,0.5056708762702484,1.4549790490443963,3.1511987202619034,4.867348030969413,6.006178158421783,6.60168935350393,6.879068552514779,6.982938957145088,2.5288008067518253,0.3945862123775415,0.0195758981467839,9.004380763094007,2.539072645166179,5.935459460946,0.5168911956750702,1.7963540197421055,3.930116736676253,0.3369256846875212,4.491759497242276,0.1726695318298371,14.603027829415955,1.7963540197421055,3.930116736676253,0.3369256846875212,4.491759497242276,0.1726695318298371,14.603027829415955,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0574,3.0686860173519914,3.643484972290126,4.24827754600273,4.86881707763516,5.492958297831273,6.111109614500605,6.716214888433911,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_17,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437652551523894,0.4884810846342368,1.328016283534274,2.7824183405947527,4.217799610389544,5.158003633935197,5.646625846799729,5.873584712337876,5.9584754157334245,2.2541451943484865,0.3876758037036722,0.0210303134704054,8.94276592896922,2.1852209240921114,5.748678351808679,0.1697835789325106,3.7494620906210647,8.081645935028131,0.5856141538519143,8.434375321436379,0.5740886146308057,22.24568031652868,3.7494620906210647,8.081645935028131,0.5856141538519143,8.434375321436379,0.5740886146308057,22.24568031652868,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0574,3.535164869899295,4.22212450987764,4.929687087389947,5.63885488062021,6.335163922702396,7.008554597731539,7.652735274310784,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_18,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1443154512952397,0.513286475827958,1.5580302994535866,3.4860599846678566,5.413319553702894,6.6747397529947365,7.329130306516932,7.632774878991024,7.74629647828412,2.7796739616417314,0.3997226177068578,0.0211312913569346,10.605617547790692,3.332319173481063,6.76090696086782,0.6264130804864637,3.6301804342825705,7.86866876808669,0.6099052569570085,8.509422489938638,0.4718579364613527,24.54246581557774,3.6301804342825705,7.86866876808669,0.6099052569570085,8.509422489938638,0.4718579364613527,24.54246581557774,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0574,3.581110783758488,4.262812245865935,4.961263302425343,5.658786786355869,6.34217829193587,7.002370918195229,7.633763658657815,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_19,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416946959460661,0.4861211072171277,1.287999262491696,2.756649872501741,4.295241103048768,5.332597558468349,5.878511264958537,6.133446576365083,6.22901014435492,2.209897221523424,0.3867722957551219,0.0203356249137215,8.302679996423425,1.891369279738342,5.648492538317198,0.3023019622172854,4.0639569670534685,8.873871262334177,0.7452512379203858,10.025966870416555,0.426311314223389,31.847801819159663,4.0639569670534685,8.873871262334177,0.7452512379203858,10.025966870416555,0.426311314223389,31.847801819159663,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0574,3.147337967341817,3.748911245532301,4.375953360108299,5.013847793831,5.650421515109684,6.276308406741004,6.884842925771364,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_20,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1589995868611749,0.7810733315245784,1.8361687439155847,3.28735985936696,4.687791725640986,5.613500438324661,6.0979556169313245,6.323764574497644,6.408351874403056,2.771147284885316,0.6059391679516966,0.0100707193296968,7.390811655695596,3.919904163736176,4.278244853938806,1.2036222861528507,1.570217694968536,3.1943779403108,0.0609249962175924,2.057617664709276,0.5845125063530128,9.06958839919453,0.9609677327926116,1.8536917175446448,-0.0609249962175924,0.4735677630518719,0.5418650090006981,-9.06958839919453,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,6.57741179421517,7.350562607863228,8.119746880310888,8.879295117461922,9.624458178120616,10.351083054114582,11.05558435340357,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_21,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1135575745680558,0.7393863374737047,2.1449841286774074,4.151637604128792,6.018930832513963,7.231026681893284,7.861035994589114,8.153914707903688,8.263514334733493,3.44726464449176,0.5416858010347487,0.0047802956507895,12.58540396529262,5.561981832929215,7.710866373375049,1.6396181701766224,1.1666336485850006,2.5032940669543846,0.1708057651635996,2.533079769893798,0.212958380963091,9.249283546196995,-0.541424003050996,-1.255375614468511,-0.1708057651635996,-1.9078701243597933,0.0933943453485714,-9.249283546196995,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,7.170852233511209,7.958516112408965,8.742664004258723,9.51707025672262,10.275896481595776,11.01394039359588,11.726864921348886,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_22,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2207921906647819,0.9020767933326016,2.170431717358413,4.101183201500333,5.987133779875212,7.224132134996167,7.867399016700866,8.166237637556513,8.278018524542757,3.406298860193546,0.7111594260683956,0.0243810766717669,12.285869256395578,5.70736173744773,7.303743525654174,1.720913641827243,2.0671729613647787,4.546471083771452,0.411057786319827,5.355635251923395,0.1491586184576508,18.55702053322044,-2.043404901833491,-4.499069254245229,-0.411057786319827,-5.331867192392107,-0.1385818319662277,-18.55702053322044,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,9.31780687720464,10.087581911605168,10.839400964225591,11.567130411711789,12.266100660245169,12.933095156866225,13.56618116221733,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_23,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1038456421340975,0.7366497933815642,2.2163238103618,4.232616986296685,6.007763771277717,7.124129421617262,7.695993198541832,7.960167546673342,8.058771238720452,3.539796042714201,0.5310181920211617,0.0038639554663512,12.37739487333192,5.963445688138111,7.337730113766887,1.784981400971522,0.5810512919001493,1.2607380629032947,0.0988529877520411,1.3718751939164786,0.0732184728604892,4.882316214541571,-0.4074785856202624,-0.9145733361340024,-0.0988529877520411,-1.1983024876365918,0.0040213814340604,-4.882316214541571,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,7.862506518081457,8.60751632604822,9.34384824896854,10.068743146374027,10.778614440541006,11.469681366111454,12.138453429973284,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_24,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2217187371597216,0.9253991399090584,2.213719171460386,4.1088320629403405,6.004422491424664,7.280465958678467,7.953554260896204,8.268324721658878,8.386392859739669,3.424691155405396,0.7260588508424101,0.0239994657069842,12.041496631204314,5.810619026804974,7.1585221407587705,1.7896578319333312,1.4560181755495922,3.188523370171845,0.2760286790399112,3.664247607868882,0.1337886800354866,12.800664458546184,-1.3042686148495195,-2.8856312470145005,-0.2760286790399112,-3.5124980471688096,-0.059431395292451,-12.800664458546184,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,9.570906414082184,10.288403162162329,10.98915552602972,11.669127986088869,12.324803892817515,12.95344217568989,13.55313791197156,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_25,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2309798249369734,0.9460924538012894,2.1194201076177905,3.728220277243832,5.410491984574197,6.595016481454455,7.234549438466279,7.536786128394361,7.650647181345753,3.1438562596807627,0.74794353403781,0.02436438307845,9.896682503559488,5.008690057795548,6.01554852832688,1.657149308157072,1.6434303331238225,3.543244951666226,0.2571062680893621,3.700280477838719,0.2653577002430125,13.359277027406351,-0.927632347769799,-2.1145121728995946,-0.2571062680893621,-2.984482492484696,0.0853833125804591,-13.359277027406351,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,9.0512825135081,9.792879845959291,10.516569370501406,11.218478405717786,11.895338086191988,12.54455542808845,13.164259809999994,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_26,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1558403617999132,0.7681882119780659,1.8165356215163808,3.268681893672617,4.6702180764639305,5.595163643928954,6.078779748196637,6.304107842799528,6.388501460825622,2.751657160812252,0.5951215465874868,0.0101967600207621,7.489816198747929,3.9376735341992473,4.307982282605625,1.1934296798627526,1.7921617338550335,3.683884808945201,0.1063879642597207,2.6432654479328,0.5980345385785136,11.088567954469582,0.7282820912578265,1.3427623336686316,-0.1063879642597207,-0.1228216228199389,0.5235629635967093,-11.088567954469582,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,6.851723220225192,7.652311726757269,8.447123218494237,9.227822468995834,9.98829849414311,10.724071521838937,11.431922738031275,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_27,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1130705434431737,0.7379506620586633,2.143217063324732,4.160848739853144,6.0483290412395645,7.277031874103886,7.916432747073104,8.213817851135152,8.325124211868491,3.451159259508999,0.5405919159068916,0.0047049236339914,12.685852717538816,5.575691258052787,7.773032334933106,1.632102530420945,0.973447562498176,2.079644069650551,0.1336019544215574,2.042263197870636,0.1964252013388356,7.539276900922029,-0.3625719817173988,-0.86033641041212,-0.1336019544215574,-1.4313876170898585,0.1029038332437454,-7.539276900922029,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,7.096996493801707,7.888984029700977,8.677025025496539,9.45484439847553,10.216602693335796,10.95712570562128,11.672120074636052,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_28,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2200671029645198,0.9045739233401044,2.1550837607981257,3.9848295133405713,5.756223250311654,6.922770420577219,7.531705307564534,7.815169232254739,7.921294284599141,3.3310844939061024,0.7126339865461068,0.0238586019889217,11.618143560863851,5.511214114317651,6.882135221360126,1.695607684289583,2.160464522081179,4.751320238695214,0.4292630261460944,5.594568731249934,0.1571752609129792,19.387583133327784,-2.132165739379765,-4.694835868423192,-0.4292630261460944,-5.566269948548521,-0.1433088573892865,-19.387583133327784,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,9.205494883241684,9.962883593726032,10.702827258463952,11.420076898641504,12.11038949823284,12.770668108313664,13.398912975512928,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_29,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1022652326901068,0.7297684697065057,2.196476094789174,4.175978142170886,5.908794799154155,6.99709294721944,7.554475413344039,7.811958873641023,7.908066186101309,3.4978217271236267,0.5255162938178383,0.0037878745976041,12.06056376581893,5.814424183334195,7.200207824656122,1.7568273625062143,0.9945882067009928,2.1848413579640824,0.1952302770389783,2.55643042301282,0.0765349825338573,8.877546574284532,-0.9577145636887908,-2.111302408022697,-0.1952302770389783,-2.5195567800006176,-0.0601262113934274,-8.877546574284532,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,7.831863980558277,8.583536823091572,9.326438597342394,10.057345041254182,10.77241181052742,11.467744236033926,12.139835130321828,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_30,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173865284446144,0.9147568474573616,2.1709955202424607,3.9080822009280407,5.554241154891937,6.635973662399048,7.201289187976499,7.464694335941985,7.56335498258658,3.2951147125872504,0.7172383997682328,0.0230770107330367,10.586805247996466,5.391223152632525,6.240400735490349,1.7283895943759255,2.3497702595845515,5.170791644269303,0.4699540519169102,6.109402674919833,0.1644839181709184,21.14793233626096,-2.3497702595845515,-5.170791644269303,-0.4699540519169102,-6.109402674919833,-0.1644839181709184,-21.14793233626096,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,9.55518545346614,10.280878280927036,10.98928254662834,11.676138572542,12.337807304155753,12.97149898840852,13.575316072986908,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_31,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2259351581082684,0.936129644981687,2.146876095976505,3.805070095836143,5.4361345045364455,6.53543376713816,7.116554393320003,7.388641706580263,7.490753677776674,3.2134051915576576,0.7378358069028733,0.0236277896988685,9.862792939647234,5.094156222549698,5.858497804438644,1.681274489188507,2.439165886032251,5.321925870691248,0.4432621164015749,5.985262817244851,0.2643408397124959,21.06107175819276,-1.9934552779834973,-4.432287497025935,-0.4432621164015749,-5.539552209196096,-0.0459426417686062,-21.06107175819276,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,9.065885441111092,9.814392697305763,10.546389228903983,11.257013323013016,11.942248706678033,12.598997636925914,13.225096871066004,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_32,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1569998714984531,0.7801187261871452,1.874175214672911,3.410643727659719,4.896714819637546,5.879174910998877,6.393265947935997,6.632860708641051,6.722606649244269,2.863207887125828,0.6033612406703276,0.0097886649097023,8.074103191896151,4.235369594461727,4.479555045888892,1.2426035251628391,1.880742895719026,3.91407431042264,0.1172630724297616,2.6664919175957493,0.5874051706255052,11.306518691532686,0.7915946687153105,1.5173470011931591,-0.1005665729709814,-0.2112088461255557,0.5051957961787314,-10.772230708851724,52.0,128.1053,4.0,2.0,0.8900000000000001,128.0,-5.0,-11.00276,-1.0,-13.0,-1.4299999999999995,-45.0,RSM0574,6.596613754671584,7.3624591758618685,8.12805820370504,8.886878820430175,9.63334267567148,10.36258564338731,11.070458296012184,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_33,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1128161629148875,0.7368253360048741,2.1619875006756897,4.1863861842514325,6.006889510719224,7.155924537737967,7.74426591505339,8.01587822091577,8.117223277291446,3.482690638893252,0.5391410602104342,0.0047397530961712,12.814239670672132,5.797565047504893,7.732682427675994,1.6580857696239215,1.1796471200214715,2.5376581739978974,0.1790082936710853,2.611713469390154,0.2021096721012419,9.478401473529065,-0.6104358166893816,-1.401512412547045,-0.1790082936710853,-2.0425021660580645,0.0768038665314823,-9.478401473529065,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,7.163965718680572,7.9577741519542835,8.748234893970109,9.528742261598332,10.293195587110263,11.036236872996218,11.753458421544112,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_34,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2222197697935217,0.906014842108822,2.1971965748916578,4.080262212006367,5.796274913737698,6.872680750891718,7.420411760113453,7.672418203859725,7.766305859432056,3.4188919410040226,0.7135691675577162,0.024884158788095,12.09888898565598,6.003167533851958,6.903100259845988,1.7632728253948942,1.976671557924326,4.349768550133492,0.3953343115848651,5.139346050603248,0.1383670090547026,17.79004402131893,-1.976671557924326,-4.349768550133492,-0.3953343115848651,-5.139346050603248,-0.1383670090547026,-17.79004402131893,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,9.244587591511705,10.020337221963407,10.778308324269132,11.512171500752943,12.21711124911355,12.889808081554838,13.528262481256403,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_35,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1032000544009623,0.7372221873742708,2.2482702694482923,4.303352051735487,6.06521346221166,7.150168206799594,7.699948474240779,7.952673377961424,8.046810538943275,3.602676904288668,0.5303455460498342,0.0038078368421661,12.938704378893858,6.311791294683669,7.473341972719257,1.824341818836413,0.9495112641494056,2.024460199471407,0.1268682261229669,1.9644570731331408,0.1846545885659223,7.284920843206368,-0.3191709970802642,-0.7673410878420651,-0.1268682261229669,-1.3341168060640003,0.0958468302798455,-7.284920843206368,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,7.810025060668153,8.557933367880697,9.298249933140898,10.027528474976483,10.741756373517518,11.43690343720998,12.109347217577517,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_36,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2223200212959376,0.9226171239098644,2.2273773670232977,4.136716467170517,5.960379321203831,7.145447768004794,7.759449449364727,8.044272462800542,8.150749122032813,3.4565620804493364,0.7240011497190572,0.0246251136013631,12.04091219708036,5.942895657490176,6.973956948419258,1.8150501352837007,1.520352650073877,3.336296163252592,0.2950319158667271,3.880607977007695,0.1233720870327618,13.502401567703927,-1.4299665085933946,-3.156034561990991,-0.2950319158667271,-3.790221835527212,-0.083150254073947,-13.502401567703927,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,8.87691529226923,9.602389441480788,10.312256602779462,11.001457413694752,11.665821916524283,12.302224063027955,12.908564519902589,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_37,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2329011251547635,0.9446960673468332,2.123859977030855,3.6640854516580816,5.14483284780863,6.140571706451891,6.667821189173044,6.914999749245311,7.007821014750934,3.121449348414467,0.7471607178366589,0.0255700365060577,9.371793029922264,5.010426392294583,5.509933389142043,1.6631220593922411,1.863779968696172,4.0383280467806415,0.3111416454134716,4.352913132003945,0.2598547292928337,15.541732751750292,-1.2476364854385442,-2.808505654198417,-0.3111416454134716,-3.736769648746317,0.0420555775034038,-15.541732751750292,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,7.845471525050985,8.5931421489953,9.326118223110026,10.03875257785057,10.726503122837531,11.38592819998988,12.01464473485763,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_38,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1606497144283122,0.783458841642083,1.838769076791324,3.292051072566635,4.695766359516401,5.624270312116673,6.110363126277741,6.336972801034369,6.421865884048952,2.77493491245754,0.6083486061229115,0.0103511756790185,7.42275762188497,3.939307440116734,4.292452331463164,1.2081343616844074,1.550415451751723,3.154005321722688,0.0600714498614362,2.0309870506432133,0.5773009075393237,8.953506255987342,0.9497009531373604,1.8321018303678551,-0.0600714498614362,0.4691293542458699,0.5352508926363185,-8.953506255987342,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,6.465487220078754,7.236979508694462,8.00285289951821,8.757786722288557,9.497469616851603,10.21816971679607,10.916654091021549,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_39,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1125006951139629,0.7357486446086932,2.1365731405128763,4.140457126502692,6.0077907612530925,7.220415736622508,7.850763542893797,8.143807346414336,8.253469606042575,3.4365749709709945,0.5387851291326037,0.0046778195042697,12.541075838628336,5.533100486220811,7.689475562856062,1.6253416706680572,1.1694226370548595,2.5091325280564227,0.1710713603337269,2.537993519724675,0.2137672354560548,9.268540391948838,-0.5412909662824092,-1.2553817131946114,-0.1710713603337269,-1.9098618489522248,0.0940172832224461,-9.268540391948838,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,7.132449778035396,7.9256825231150305,8.715825378453044,9.496243368780044,10.260792649161983,11.004068783400824,11.72162103252444,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_40,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2209732229926758,0.9027804907651992,2.170898258154524,4.102082778230164,5.990642365352727,7.230108821973999,7.874819030383604,8.174357959463913,8.286405170172829,3.4067438439203315,0.7117566754205712,0.024376064670343,12.285020888453657,5.721836557992599,7.284321577207223,1.7212689470274485,2.053127719174823,4.515638622103182,0.4083213114973408,5.319698211153551,0.1480393759752822,18.43206482582093,-2.030085395798585,-4.469684164477782,-0.4083213114973408,-5.296655887777311,-0.1377855420728561,-18.43206482582093,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,9.17391141001688,9.941886695527993,10.69200741739612,11.418215936193732,12.115892125713469,12.781842658695435,13.414136915252127,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_41,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1038393931251741,0.7367868650966919,2.2185248431793005,4.239811107419884,6.019672756516614,7.138711497984267,7.711823770807052,7.976545677384857,8.075348968417492,3.5451308030359048,0.5310255822706551,0.0038791074665162,12.438711038802118,5.997941464004608,7.35900422818702,1.7883267739421116,0.5767149718742146,1.2509557514256662,0.0977529289418397,1.358738403408933,0.0733514207180759,4.838633438207868,-0.400814317544183,-0.9001482814625678,-0.0977529289418397,-1.1828377490789013,0.0049243704587881,-4.838633438207868,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,7.812074691763611,8.559335682089376,9.297352873269848,10.023392972123467,10.73394534953069,11.42532263961268,12.094125879643324,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_42,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2229011067859103,0.9254383197391932,2.212202734733808,4.120464349901488,6.036985431553647,7.327874056893072,8.008721092289125,8.32708246974719,8.446490308950168,3.430030999837921,0.7266690370297598,0.0244248412031406,12.179976074727492,5.845894373485984,7.250529802445821,1.7885933577965676,1.459922451869972,3.197286331743685,0.2769771185920655,3.675739400606496,0.1337100523729486,12.839154631191173,-1.309848734050683,-2.897739190976384,-0.2769771185920655,-3.525665682787208,-0.060173930641497,-12.839154631191173,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,9.587779832789863,10.310864392494135,11.01684623118935,11.701528375288248,12.361323407114275,12.993477079060082,13.596106766809998,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_43,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.229401606828225,0.9433052070227278,2.119688478251263,3.74237783947036,5.444777728761818,6.644534561707914,7.292426138430436,7.598629533379045,7.713986781209674,3.1519972090312733,0.7452239150473088,0.0240351879015721,10.015819174520844,5.046353592409955,6.081186279588475,1.659922005349611,1.646491268627622,3.549701135255061,0.2574451123179699,3.706052167171382,0.266145985759798,13.381358589497513,-0.9279598545520772,-2.1155124327602723,-0.2574451123179699,-2.9875207530958368,0.0859344071372192,-13.381358589497513,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,9.059331446388745,9.802798571586706,10.528326367249084,11.232085559127407,11.910794360438857,12.5618246647476,13.183268821783056,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_44,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1544655424575468,0.7649428895329229,1.810721192878726,3.257771796208614,4.6540961881805325,5.575716579666143,6.057646356670659,6.282201700072061,6.366308036264015,2.7426579119837355,0.5922532273632827,0.0100150149141367,7.416743897401142,3.902278969043328,4.27479392672086,1.1862763474818734,1.42445751595178,2.8645905784653247,0.0230101856692869,1.6085390013060754,0.5907394964686294,7.582491293144641,1.1943556592589113,2.3582394775161184,-0.0230101856692869,1.010274173904616,0.5746323665001286,-7.582491293144641,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,6.793888734732819,7.598593834141508,8.398448264165937,9.184664915491153,9.950769433185764,10.692006255271789,11.404961894522144,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_45,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1114448764927587,0.7320982631401056,2.1310165392177494,4.141623435908709,6.023263035791171,7.248241586962771,7.885701450163594,8.182181263019256,8.293148276527917,3.43425247399694,0.5358479528128373,0.0045730248214217,12.578451818023364,5.515239314992383,7.720992491128942,1.613535449578105,0.9729034332350952,2.079454655284766,0.1344786680624159,2.0487327777344224,0.1943174793541232,7.554090527423795,-0.371883247389064,-0.879818364336088,-0.1344786680624159,-1.4477125918883913,0.1001824117104321,-7.554090527423795,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,7.08075696776641,7.880189863747189,8.676496296998598,9.462786817080774,10.232737157734192,10.980835869335571,11.702586705216234,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_46,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174089301720125,0.8981969329872014,2.1397601403992685,3.947591530629004,5.694259673778068,6.844529630663343,7.445147960614593,7.724794554735074,7.829499920267595,3.302445568146327,0.7071795435110286,0.023363485594038,11.395061714565266,5.412375262359616,6.763987829354918,1.672675764597099,2.175250331351066,4.783981497651779,0.4323417383110911,5.633984237839795,0.1579550119087308,19.52308642297715,-2.148167051759845,-4.729923271587703,-0.4323417383110911,-5.606900958248575,-0.1446842049090326,-19.52308642297715,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,9.18405872568225,9.951330895911088,10.699752785782405,11.42418453869189,12.120487109782184,12.785670408211804,13.41784628225875,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_47,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1014850404726287,0.7273123193925989,2.1888768856561733,4.152388365778135,5.8658649697870455,6.940948549342798,7.491425649777032,7.745702607709533,7.840611283961593,3.480713383530824,0.5234802182457187,0.0037255026611795,11.89470445023812,5.744702657232852,7.107600591549204,1.7436328922073334,1.1346866211082254,2.4946738641043766,0.2247423412936708,2.932625351457592,0.0835436564675271,10.168279931414542,-1.1127367918284838,-2.4508982220803244,-0.2247423412936708,-2.910675522177851,-0.0737759824380422,-10.168279931414542,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,7.833883272447129,8.589948523048502,9.336785126391442,10.071181934794389,10.789300669480465,11.487255336142034,12.161555003762356,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_48,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174320859436042,0.9154077140160598,2.1719485712476656,3.900409382605861,5.532067027952561,6.602588551481272,7.161709266870097,7.422165424432039,7.5197122641120355,3.291551201847637,0.7176442785549311,0.0230676527867054,10.50753101398553,5.369787574464984,6.19144586750627,1.7298780246872318,2.35201869221021,5.175739437180563,0.4704037384420421,6.115248599746547,0.1646413084547145,21.16816822989189,-2.35201869221021,-5.175739437180563,-0.4704037384420421,-6.115248599746547,-0.1646413084547145,-21.16816822989189,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,9.566074804203115,10.29069118764595,10.998102244010658,11.684080958344929,12.34501722070248,12.97813984640964,13.581558285636486,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_49,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2270949957505817,0.9386445777261854,2.148875357576536,3.804482079060661,5.431518688757502,6.527774907209356,7.107250725959634,7.378565043737312,7.480386779073075,3.2139764284635857,0.7402098962298972,0.0237677724723957,9.822053833826471,5.093361258766085,5.8297991755484375,1.6834674452007965,2.4257194277008365,5.292161304151215,0.440401781904206,5.948933682934484,0.2637587775745772,20.9366327765883,-1.978298391341223,-4.399108915577427,-0.440401781904206,-5.50151264657487,-0.0445224697583666,-20.9366327765883,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,9.10681084903729,9.85244966441476,10.580599721659976,11.286895415207432,11.967707514991345,12.620210643144969,13.242413803889816,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_50,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.160896587207172,0.7869925441663941,1.876288093091937,3.406638270807231,4.888680580359431,5.8686217481433465,6.381353003962976,6.620298648743145,6.709798646252278,2.861012764827611,0.6101947451520785,0.0103471224338769,7.999099574576355,4.223809845771414,4.434227552822731,1.2483577777721984,1.860576396643477,3.877537506741087,0.1083750693446053,2.5289700491734672,0.5860929116133826,10.89360716090274,0.8856514030477541,1.7321643622340304,-0.0866099293745393,-0.0656890690930947,0.5100671245223833,-10.197122681860629,52.0,128.1053,4.0,2.0,0.8900000000000001,128.0,-5.0,-11.00276,-1.0,-13.0,-1.4299999999999995,-45.0,RSM0574,6.667601441883097,7.431358780653399,8.190697603411973,8.940360311920267,9.675947076164723,10.393580237528438,11.089869018175447,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_51,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.112488062613288,0.7360796016404247,2.160376163512302,4.181788370831061,5.99873758731686,7.145361229118835,7.732445975052466,8.00347555913321,8.104602921056127,3.4792974181019325,0.5384625613388976,0.004704175298581,12.773585208343944,5.781124399443406,7.7140022529460035,1.6557762335481805,1.1840992149356813,2.546074346282336,0.178548548311154,2.612487601424914,0.2052566638650601,9.491467040901489,-0.6013862681758598,-1.3829793045497318,-0.178548548311154,-2.029774654665092,0.0802726800472524,-9.491467040901489,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,7.147235673856882,7.942697404567382,8.734926888259936,9.517211768189917,10.283368954545749,11.027983119279211,11.746612064917477,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_52,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2204431144118681,0.9052757699371828,2.2013155626313945,4.090832798868504,5.810001505108863,6.887195045873571,7.435032880933998,7.68702903490774,7.780903795541027,3.4275351134362624,0.7123342874321763,0.024189300557592,12.096015830464928,6.023721831809665,6.897517583805497,1.7687640064922938,1.9662657299100108,4.326869984484934,0.393253145982002,5.112290897766028,0.1376386010937006,17.696391569190098,-1.9662657299100108,-4.326869984484934,-0.393253145982002,-5.112290897766028,-0.1376386010937006,-17.696391569190098,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,9.24133122989023,10.00869576091104,10.758361142147772,11.48446476269054,12.182444765180604,12.849093136003075,13.482430835672794,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_53,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1034975867354504,0.7373955765019075,2.245407730792992,4.29584180305188,6.05671362504972,7.142985048085776,7.693999272308849,7.947415729651231,8.041830130409197,3.596487413184079,0.5307065443613708,0.0038386210180863,12.877926815090053,6.272612141726161,7.454480022803291,1.819028063017951,0.9325145516752982,1.98791170129838,0.1242968595501006,1.926889428076103,0.181912363839069,7.148509949378503,-0.310454043825708,-0.74730532746855,-0.1242968595501006,-1.3048289202265129,0.0949045621539986,-7.148509949378503,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,7.8001570951833425,8.545571634250816,9.28299072862765,10.00927594527706,10.720596425641483,11.413024059764805,12.082988208626675,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_54,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2206568993887057,0.919773545654646,2.225355112433179,4.13560779346702,5.960268713735863,7.146372579839922,7.761053170682991,8.046225067058945,8.152837701214672,3.455178134657868,0.7212410832596401,0.0242472945197264,12.015547473467883,5.919905024058323,6.965113425026794,1.810806673199904,1.5523626275271871,3.4057798566782767,0.3005067365684425,3.956416520074727,0.1273512381837685,13.771947869004784,-1.4527047381572378,-3.207027145013317,-0.3005067365684425,-3.856758630704778,-0.0830034774141409,-13.771947869004784,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,8.86916877553318,9.595529490311602,10.306660915429148,10.99735100952904,11.663288407472232,12.301236918496636,12.909022214729006,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_55,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2293430807586203,0.9396036278938686,2.1166116690154766,3.651665991298584,5.125341968839998,6.115449973710476,6.63950420589369,6.885142004732839,6.977378188477108,3.1111262551782795,0.7422896617110781,0.0244973259601751,9.328314916935932,4.959093041536211,5.502205437574052,1.6504609271045154,1.8870578387567247,4.088839768770614,0.3151006322227989,4.4078628965391164,0.262947013322918,15.737301838239604,-1.2639484834712624,-2.84511349562083,-0.3151006322227989,-3.784753541253653,0.042376570766959,-15.737301838239604,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0574,7.937201026069718,8.682249720102215,9.411973440361075,10.121201256357466,10.805678672936732,11.462124394011068,12.088233592419655,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_56,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1017759251989136,0.5952899404041264,1.7537144796131727,3.5002395610156127,5.14924867607151,6.221350757648629,6.77845706173769,7.037377375299303,7.1342566982888025,2.881658256399506,0.4402549340237519,0.0053182507356903,10.597295878477134,3.643550227892261,6.8391530792826565,0.9619016473283428,3.2172202421163543,6.879053325205348,0.4473011478167935,6.795629424650702,0.6371055082217473,20.559112688749703,-3.2172202421163543,-6.879053325205348,-0.4473011478167935,-6.795629424650702,-0.6371055082217473,-15.224979136593774,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0574,11.094384260800927,11.855046730059303,12.582426648567951,13.27591753119022,13.93474370003686,14.558324864488196,15.146466370034064,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_57,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0976078082261279,0.5866887223284245,1.831340427829134,3.8134147525322826,5.685467179153736,6.889794310984664,7.511308910226711,7.799190754243668,7.906751289971548,3.1078337793545283,0.4305751577792618,0.0049044617021532,11.72831885974869,4.335177159598397,7.286709356285976,1.0727566211112838,3.437062201028555,7.365209991128718,0.4935995129607362,7.385858304714444,0.6476015012864457,22.12130613475014,-3.437062201028555,-7.365209991128718,-0.4935995129607362,-7.385858304714444,-0.6476015012864457,-17.366654902108763,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0574,10.885778608139631,11.673615055254205,12.427998082712708,13.14716649456651,13.829555961393902,14.47413734293738,15.080539881110171,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_58,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0999593495608672,0.5875923196844112,1.7427465470232364,3.435681362145531,4.940844645390607,5.88128999700295,6.360932067794575,6.582054876673147,6.664520262559458,2.8480635785042967,0.4343178055102457,0.0051346848207179,10.323626868707796,3.6376764916035342,6.54310330963046,0.9148299306286264,3.607182162148972,7.733239921281243,0.5214364324297944,7.778673621587327,0.672502751350428,23.2502751350428,-3.607182162148972,-7.733239921281243,-0.5214364324297944,-7.778673621587327,-0.672502751350428,-18.464639459340745,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0574,10.333770706157146,11.100194190413944,11.834263615470228,12.534667784667969,13.200125145882632,13.82972897387073,14.423103709291835,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_59,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1010770948449257,0.5924818742688108,1.7454720487589643,3.489095718812996,5.138133933872458,6.210609557238596,6.767927497531389,7.026944609880049,7.123859618466742,2.870982724431672,0.438182021659789,0.0052490505683173,10.57185358655299,3.624862121844468,6.81683149357179,0.9484054194796944,3.1856023535687075,6.80936595027241,0.4408694635586737,6.712558062038098,0.635119279775452,20.33670640343027,-3.1856023535687075,-6.80936595027241,-0.4408694635586737,-6.712558062038098,-0.635119279775452,-14.932850681263618,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0574,11.121430312105655,11.88347109509037,12.612406117845184,13.3074504998353,13.967706033643283,14.592519445509485,15.181661388211747,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_60,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.097759425716406,0.5870261030833155,1.8292296599697384,3.805964930639768,5.673400683095643,6.875089871460648,7.495338515158841,7.782654533791045,7.890006882227178,3.1022713640406168,0.4309626634004724,0.0049196102803892,11.648129235310838,4.3190626028524575,7.23225502367963,1.0693654036674387,3.432567796065411,7.355508994907546,0.4928855977560569,7.375652578113867,0.6468984647843319,22.091694957887626,-3.432567796065411,-7.355508994907546,-0.4928855977560569,-7.375652578113867,-0.6468984647843319,-17.33915286259693,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0574,10.93699697973164,11.723928896372996,12.476908363778588,13.1944164333978,13.875060604063268,14.51792522991088,15.122708685727892,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_61,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1000175458738072,0.5867780321554581,1.738050884072451,3.424872687332402,4.925171459623344,5.862864246160492,6.341173826048423,6.561696584901535,6.643940339928552,2.839317454592463,0.4338802711075216,0.0051457790220729,10.276012044811091,3.605324843934224,6.527341030294544,0.9133947235287668,3.5507499647570544,7.609057936446066,0.5101499929514108,7.631949908368341,0.6685524975329937,22.85524975329938,-3.5507499647570544,-7.609057936446066,-0.5101499929514108,-7.631949908368341,-0.6685524975329937,-17.95674968281349,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0574,10.411951653322786,11.177685752048788,11.910884598720257,12.610338839809872,13.274837416899304,13.9035188442677,14.496033917303668,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_62,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0677174267703496,0.346249298434372,1.116071820048406,2.537722806607687,3.993997456867533,4.960984558535044,5.465987133754152,5.700998694917245,5.78896612883193,2.0122937499761635,0.2582853756038158,0.0047275572453891,6.253955397042068,1.760719411559256,3.9574912024709175,0.2838422171928801,8.232996987001641,19.79864532835362,0.6958624782171774,4.741519853925932,0.7271208517172598,26.461532480123136,4.895085562002894,12.789614081681911,0.3543841257031855,-4.741519853925932,-0.7271208517172598,14.50979014213342,50.0,124.11660000000002,4.0,0.0,0.0,138.0,-7.0,-14.99146,-1.0,-15.0,-2.32,-35.0,RSM0574,15.466959035161462,16.153082838944083,16.768366965898117,17.32369988767296,17.8273880708132,18.28592429073758,18.704516173512506,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_63,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0675593353057226,0.3489949254416294,1.1339959085840792,2.517164739433185,3.901650468110187,4.820747294110542,5.302291375302635,5.526857288497261,5.61099747446354,2.012795671980237,0.2592417606356949,0.0047045730365429,5.948901727878953,1.6283188308048169,3.8887428500309698,0.2903252814823284,11.91222762450868,28.68784490712044,1.0182963583409452,6.851407928642423,1.012427234161421,38.12337952818822,7.228628263308447,18.82611417059643,0.5129721126844249,-6.851407928642423,-1.012427234161421,20.43703093021001,50.0,124.11660000000002,4.0,0.0,0.0,138.0,-7.0,-14.99146,-1.0,-15.0,-2.32,-35.0,RSM0574,15.27032411444512,15.950639914263611,16.563636573493167,17.117924760363294,17.620786148243134,18.07830716278752,18.49558114860506,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_64,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0525814645167467,0.3216548291405821,1.1007273915871294,2.511037123582636,3.977591125095073,4.967864155799598,5.489763418485892,5.733660268716555,5.825113836839762,1.9888978008275149,0.2325868727079745,0.0028374890558181,6.235528894636516,1.7306023592324191,3.974314054285036,0.2735743158303955,7.104104179791911,16.947891026010023,0.5769752288725973,4.284080909479576,0.7399716318267381,23.45077580700551,3.672453938024197,9.803104039704674,0.2851494205526912,-4.284080909479576,-0.7399716318267381,13.2368725158088,50.0,124.11660000000002,4.0,0.0,0.0,138.0,-7.0,-14.99146,-1.0,-15.0,-2.32,-35.0,RSM0574,14.969619707298332,15.773955940129904,16.497979048370308,17.14948080889705,17.735670735413194,18.26319908608713,18.738167320638382,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_65,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0811245939573673,0.3556589794973967,0.9998064377527252,2.171043956715929,3.400427463528952,4.229961006049934,4.666365910523129,4.870089413222719,4.94644148866725,1.7348910230628614,0.2748307174346288,0.0067998778212213,5.936684650202199,1.306819474316144,3.9465873061805934,0.088651444346052,3.0184402640161,6.49310005706296,0.3374076393861549,5.290930184816085,0.633685927768335,14.399471265582,-2.3999312867852947,-4.957755430595661,-0.2879269212076905,-5.290930184816085,-0.633685927768335,-7.487238355202592,50.0,124.11660000000002,4.0,0.0,0.0,138.0,-7.0,-14.99146,-1.0,-15.0,-2.32,-35.0,RSM0574,16.039365964618124,16.582144325490823,17.070778619161217,17.51346033734976,17.91703877860225,18.28707389193775,18.628000828414773,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_66,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0656094812716532,0.341899572623389,1.145887317265617,2.680460734440755,4.259001151522247,5.307134801869372,5.854531550229258,6.109290722352636,6.204654183590549,2.1114240774434774,0.2538831779328669,0.0044410534238157,6.512928481452425,1.8912610460267605,4.084708392854179,0.3167896278367407,12.037959325703044,29.16857843400588,1.0104505095154763,6.104175170411623,0.9371358074008108,37.43693457172529,8.27709608214512,21.26013368666868,0.6147539231123769,-6.104175170411623,-0.9371358074008108,23.58755404761681,50.0,124.11660000000002,4.0,0.0,0.0,138.0,-7.0,-14.99146,-1.0,-15.0,-2.32,-35.0,RSM0574,15.599376260398548,16.228212318581665,16.797737025056364,17.31590601528144,17.788898962236377,18.22166025608004,18.618266919798685,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_67,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0675614367015575,0.3508076889815775,1.1353686756572356,2.462915905613311,3.757208979406215,4.608424416219568,5.053076877956567,5.2602258264214745,5.337811382586351,1.9846943800091177,0.2600798573329247,0.0047046811547722,6.25577720721734,1.8134185515145136,3.840849881879529,0.1819804147973782,8.31342038419655,19.198568636174407,0.8997966261552172,9.75699134767563,0.97565499940716,32.225973962643366,0.0268724357493313,1.5048071201475026,-0.2325732005595465,-9.75699134767563,-0.97565499940716,-7.406969972373359,50.0,124.11660000000002,4.0,0.0,0.0,138.0,-7.0,-14.99146,-1.0,-15.0,-2.32,-35.0,RSM0574,14.949216670446212,15.652079499603834,16.282647792784438,16.85089244727745,17.365026350717475,17.83178777366261,18.25673651904108,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_68,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0684845858854244,0.3477569036001057,1.1182594428457304,2.547610211449985,4.0127892810264525,4.984826011141955,5.492113557028124,5.728103763334119,5.816423669892034,2.018914242548912,0.2597634344855256,0.0048334387096381,6.291782204752703,1.773921219828933,3.9829645545480585,0.2911636134697248,8.2843209723104,19.95483654312387,0.693922043561482,4.587306896081595,0.7193683781122647,26.40972475186049,5.11914341134273,13.317012007278574,0.3783551071307683,-4.587306896081595,-0.7193683781122647,15.36488197678552,50.0,124.11660000000002,4.0,0.0,0.0,138.0,-7.0,-14.99146,-1.0,-15.0,-2.32,-35.0,RSM0574,15.625588345886788,16.264853487613166,16.841067239696276,17.363556276582056,17.839459563234495,18.27437023276785,18.67278576945591,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_69,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0690155474851683,0.3532631987497645,1.1448838658059828,2.5321531149893195,3.91651359178812,4.834648608758602,5.315552513529417,5.53979889645095,5.623816577756623,2.027043053804495,0.2626352590283531,0.0049071065472096,5.990064812908603,1.6572131889252848,3.90352238757221,0.2953786908369729,12.003498599443947,28.8979605333344,1.0293616873080254,6.974433191111719,1.0220687969416085,38.487588684738576,7.219630250985666,18.82022735221025,0.5084886207263436,-6.974433191111719,-1.0220687969416085,20.25703135437972,50.0,124.11660000000002,4.0,0.0,0.0,138.0,-7.0,-14.99146,-1.0,-15.0,-2.32,-35.0,RSM0574,14.586586838783788,15.22838308494915,15.809313927440558,16.336747979790676,16.817061128913686,17.255639968386774,17.657012985240474,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_70,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0518769171368426,0.3203498852910611,1.1056274245618003,2.5319591609490817,4.012127708901248,5.009867529633748,5.535283470834758,5.780741738629286,5.872768513840069,2.004096349325568,0.2311991518740313,0.0027619463801058,6.272517911100701,1.7558927604493957,3.990589014461874,0.2837547627519313,7.418077761129392,17.697305020645487,0.605382813845042,4.505577166498445,0.7688264741197394,24.501648692548063,3.821868768423193,10.203973927951846,0.2938129085191647,-4.505577166498445,-0.7688264741197394,13.596702006142356,50.0,124.11660000000002,4.0,0.0,0.0,138.0,-7.0,-14.99146,-1.0,-15.0,-2.32,-35.0,RSM0574,15.032806690992045,15.850241732519542,16.58475683149732,17.244443428059537,17.836857995581955,18.3689926493224,18.8472589695742,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_71,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0804867409188435,0.3535714020587348,0.988862766104554,2.1391089895497672,3.348429444047097,4.165977975024101,4.596526387549611,4.797612990536757,4.872992032603165,1.710715214429438,0.2732908554063988,0.0066956750248317,5.793938637354271,1.256538432992252,3.865418876262552,0.0824517445570559,2.921107053406046,6.26218822156269,0.3274123830551664,5.203786050145693,0.625354022833892,14.059137475978218,-2.433251882823894,-5.051169720261154,-0.2883839694085943,-5.203786050145693,-0.625354022833892,-7.493734860253405,50.0,124.11660000000002,4.0,0.0,0.0,138.0,-7.0,-14.99146,-1.0,-15.0,-2.32,-35.0,RSM0574,16.116841621143205,16.650803503403854,17.132628024709465,17.56997678812162,17.96931759377177,18.33592613131173,18.67402260362853,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_72,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0673953005011823,0.3470378078537158,1.1569902668633851,2.695790317860169,4.27528432572237,5.323458564760432,5.870810145750425,6.12554178055125,6.220894390226004,2.125807172541685,0.2580996677065036,0.0046808577056406,6.530760721103459,1.9193191501136493,4.085335627321045,0.320496495123619,12.208797685101151,29.58012525929515,1.027866487279457,6.234382751391886,0.9480852899735625,37.99901965481256,8.367067288732066,21.49600279293022,0.6182027106272008,-6.234382751391886,-0.9480852899735625,23.6607874719836,50.0,124.11660000000002,4.0,0.0,0.0,138.0,-7.0,-14.99146,-1.0,-15.0,-2.32,-35.0,RSM0574,15.52538862692474,16.188809757694145,16.78631109950228,17.3275452502983,17.81995673135898,18.26941342636248,18.68065676401474,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0574_73,RSM0574.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0698885544416902,0.3534336102510659,1.122245421318041,2.4235739857839858,3.694936387446096,4.531604292276361,4.968722597569624,5.172369192164277,5.248643779500164,1.9543473147132784,0.2635784744669063,0.0050322921419047,6.109121708982704,1.7387158584937172,3.762958053394219,0.1706888465370128,8.218686311505904,18.95823623661669,0.8945815134833579,9.7771605275026,0.971491720172944,32.006534109856204,-0.1053850189404441,1.1816711875599055,-0.2455174100781213,-9.7771605275026,-0.971491720172944,-7.896928214795574,50.0,124.11660000000002,4.0,0.0,0.0,138.0,-7.0,-14.99146,-1.0,-15.0,-2.32,-35.0,RSM0574,15.17310065214809,15.890915674676702,16.53184803039895,17.107484534923348,17.6271455012981,18.0983171380528,18.527052119719613,"[Ce].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-]rna,acs.cat0","linker [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-], nodes [Ce], topology rna,acs"
RSM0260_0,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.003052470223857,0.1677151058687191,1.1277734484269046,2.9905761782945266,4.816976875316665,5.993285375954064,6.598546081976307,6.878358811795006,6.982810603826844,2.3112294292398605,0.089761915611731,2.4681197392063574e-06,8.152334904221684,2.5346707531805817,5.054966061181715,0.3471566875324524,18.642552097105384,39.69508965174053,1.8196925282709724,5.998819134794606,1.2761414822105577,49.72126377289469,-18.642552097105384,-39.69508965174053,-1.8196925282709724,5.244340083204721,1.2761414822105577,-49.72126377289469,-11.0,-23.2404,-1.0,7.0,1.53,-22.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0260,20.29504328659437,20.759368866879697,21.124635253202246,21.416594681446803,21.653316456333584,21.847719973039943,22.009209002328067,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_1,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0030520632056899,0.1677090506242169,1.1277555145856215,2.990531861219788,4.816905138176912,5.9931969053688965,6.598449385472822,6.8782584026313,6.982708823273016,2.311195291025537,0.089757653368303,2.46708700128764e-06,8.152129340272555,2.534593982269603,5.054847517019921,0.3471435041740719,18.64266070354948,39.69532474142139,1.819705690449347,5.998821392147304,1.2761426743230806,49.72175626208871,-18.64266070354948,-39.69532474142139,-1.819705690449347,5.244292243229286,1.2761426743230806,-49.72175626208871,-11.0,-23.2404,-1.0,7.0,1.53,-22.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0260,20.293688650480505,20.75821943987565,21.12364973519463,21.41574161285937,21.652571630825257,21.847064555758813,22.00862817122909,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_2,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0030525187051801,0.1677197892126194,1.1277998046719568,2.990628254672914,4.817044544835961,5.9933603018455335,6.598624097724575,6.878438123662477,6.982890378999801,2.31127372961506,0.0897644167420609,2.4679271798787087e-06,8.152565372076179,2.534748671560521,5.055129501989214,0.3471788294629068,18.642514781900857,39.69500892762815,1.8196867401996848,5.998799957693223,1.2761457884804948,49.721037547688894,-18.642514781900857,-39.69500892762815,-1.8196867401996848,5.244412595723824,1.2761457884804948,-49.721037547688894,-11.0,-23.2404,-1.0,7.0,1.53,-22.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0260,20.29522468021172,20.75952316954312,21.124767839712145,21.41670967023796,21.65341702997838,21.847808615887143,22.009287674351523,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_3,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0030522586131954,0.1677119239779141,1.1277484209196516,2.99049497450182,4.816846943514617,5.993129590901826,6.598378663462402,6.878186383659136,6.982636364023339,2.3111686076457976,0.089759862467906,2.467527200577958e-06,8.15184543990191,2.5345313085766863,5.054670628677466,0.3471431614639403,18.64272528241469,39.69546649490269,1.8197140018546527,5.998821461765758,1.2761512177183367,49.722116726765634,-18.64272528241469,-39.69546649490269,-1.8197140018546527,5.244308897676692,1.2761512177183367,-49.722116726765634,-11.0,-23.2404,-1.0,7.0,1.53,-22.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0260,20.29398839043998,20.758473728975414,21.12386758188215,21.415929949335386,21.652735827845827,21.84720881171371,22.00875580006109,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_4,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411501996104738,0.4962396170895242,1.4273593690047048,3.1017061860873323,4.76036530546172,5.84241545316573,6.403150470088555,6.663243398887857,6.760470185007268,2.4908657205206146,0.3898859663545774,0.0202074496214159,8.797713434573177,2.600000812112488,5.653310134801937,0.4645351450237157,6.888282286276669,14.884519783559254,1.0203101247372233,11.818622271711993,0.6675920205998808,39.18527424240507,6.888282286276669,14.884519783559254,1.0203101247372233,11.818622271711993,0.6666789537260067,39.18527424240507,27.0,57.68546,3.0,16.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0260,3.2760895801381453,3.895780961778662,4.542966003259334,5.201186348454714,5.857040533222315,6.500454732727366,7.124439140993569,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_5,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1429951829983352,0.5057706480951053,1.4022443835691296,3.0066357181407155,4.664179360447153,5.777311962531382,6.362278748687156,6.635290460108448,6.737605293931604,2.4136623320790536,0.3974859799960857,0.0206637467162852,8.712303774899532,2.293768849831402,5.740461970992119,0.3408145264539932,6.384203605821841,13.786216919847982,0.9595915913274784,11.45815773123643,0.6572480815048553,36.765588254665786,6.384203605821841,13.786216919847982,0.9595915913274784,11.45815773123643,0.6426232601594103,36.765588254665786,27.0,57.68546,3.0,16.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0260,3.3360119983868737,3.962528565928361,4.61640212810765,5.280669051003962,5.941560437846713,6.588783074708645,7.215254535379431,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_6,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141188469678061,0.4841438446984321,1.3396546044898832,3.0128163896493576,4.777697066381271,5.959613042617129,6.578438340322049,6.86667264843727,6.974596654315876,2.385163404984988,0.3847521915319777,0.020221010414942,8.884409245858443,2.140002067263065,5.924757260237414,0.358540884223457,5.579495221838837,12.079005893807096,0.8492560956554123,9.638487716034303,0.4845083675031233,33.31905046918902,5.579495221838837,12.079005893807096,0.8492560956554123,9.638487716034303,0.4785482979649347,33.31905046918902,27.0,57.68546,3.0,16.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0260,3.5218980976717646,4.147243653413796,4.797900863830988,5.4572001354980815,6.111846201746052,6.752040726169892,7.371139311382276,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_7,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411497976842453,0.4962275148303363,1.4272828302358116,3.101541674682036,4.760147983831792,5.84217737632194,6.402905141263726,6.66299544064675,6.760221357999087,2.4907286035295635,0.3898795857759523,0.0202073790568652,8.796935863719407,2.599628646436142,5.652915751397728,0.4644650515760572,6.888388622865682,14.88474543357811,1.020320998786748,11.818734820524252,0.6676071619684218,39.18555846802696,6.888388622865682,14.88474543357811,1.020320998786748,11.818734820524252,0.6666940518268837,39.18555846802696,27.0,57.68546,3.0,16.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0260,3.276033303652914,3.895734245107648,4.542929227023151,5.201159467397902,5.857023222524889,6.500446539739017,7.12443960550247,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_8,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.142996471026049,0.5057788026301907,1.4022813946761004,3.0067178643304566,4.664288605307889,5.777428949420593,6.3623968195280405,6.63540838347073,6.737723058664778,2.4137298502437115,0.3974913231997856,0.0206640701115217,8.712706742936987,2.293933773267147,5.740717478269961,0.3408752068701169,6.38420396676261,13.786222250290486,0.9596020446498064,11.458702351433908,0.657295223889169,36.766164074810014,6.38420396676261,13.786222250290486,0.9596020446498064,11.458702351433908,0.6426790733304596,36.766164074810014,27.0,57.68546,3.0,16.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0260,3.3360751837034712,3.96260445684906,4.616489234674459,5.280765586213665,5.941664501400312,6.588892800022371,7.215368190365138,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_9,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411911052860816,0.4841610565716147,1.3397421855875151,3.0130000032598465,4.777934701824989,5.959869599662316,6.578700563019691,6.86693663403952,6.97486116458016,2.385317572848156,0.3847630579993475,0.0202216706930237,8.885181821603755,2.140325292608779,5.925192042455061,0.3586309416384958,5.579426696081545,12.078855654988091,0.8492425664417664,9.638129718660831,0.4844776079833279,33.31846214726078,5.579426696081545,12.078855654988091,0.8492425664417664,9.638129718660831,0.4785117514147102,33.31846214726078,27.0,57.68546,3.0,16.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0260,3.522001470058385,4.147346360025075,4.797999794148289,5.457293231871311,6.111932293802674,6.752119321378952,7.371210397576751,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_10,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411033190763946,0.4961622801032986,1.4272809027864624,3.101647704854872,4.760321311201073,5.842377523857746,6.4031147044069705,6.663208420444356,6.760435466454631,2.490800304435996,0.3898135695861142,0.0201942336796094,8.797348819483515,2.599931844485797,5.653097514941909,0.4645462030980148,6.888606569016607,14.885212691527968,1.0203445912198197,11.818846277451554,0.6676151974887774,39.18631342622051,6.888606569016607,14.885212691527968,1.0203445912198197,11.818846277451554,0.6667015672891079,39.18631342622051,27.0,57.68546,3.0,16.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0260,3.275977995763767,3.895670669247156,4.542858701359448,5.201083520299375,5.856943479343739,6.500364647509469,7.124357183080708,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_11,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.143044095180265,0.5058353398509658,1.402284670993312,3.006640403548478,4.664153048168951,5.777264497933403,6.362219735116413,6.635225932846424,6.737538678939961,2.41367889530756,0.3975512982788818,0.020677880878582,8.712291094066213,2.293771323502768,5.740477184083857,0.3408441097447919,6.38425498922382,13.78632688881822,0.959604074594758,11.458554136629218,0.6572840070411501,36.766077301936654,6.38425498922382,13.78632688881822,0.959604074594758,11.458554136629218,0.6426613553074286,36.766077301936654,27.0,57.68546,3.0,16.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0260,3.33604800404388,3.9625625190430656,4.616434133321427,5.2806992214245385,5.941588880842457,6.588809888479705,7.215279809694703,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_12,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411752855101939,0.4841388621780052,1.3397011970706758,3.01292676694881,4.7778454446979,5.959778593529352,6.578611181235619,6.866848565775872,6.97477367639103,2.3852544139128646,0.3847419902024553,0.020217090878309,8.88489540262356,2.140231770510394,5.924971909720352,0.358580392932194,5.579583735840282,12.079193433945782,0.849265204684244,9.63849314807378,0.4845087916112547,33.31928715086244,5.579583735840282,12.079193433945782,0.849265204684244,9.63849314807378,0.4785452234680003,33.31928715086244,27.0,57.68546,3.0,16.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0260,3.521994598894235,4.147342119118328,4.797998511392041,5.4572949611844965,6.111936918063996,6.752126637908419,7.371220179376583,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_13,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411511216141589,0.4962262094220874,1.4273141485373837,3.101636375225888,4.760292224159047,5.842349448022528,6.403090653128798,6.663186996274938,6.7604151442962745,2.490802033413621,0.3898780580714214,0.020207889092825,8.79724751305843,2.5999038782936394,5.653013606349205,0.4645519239776197,6.8882861599608365,14.884525154597696,1.020308192612793,11.81860549766582,0.6675967876329425,39.18511194668851,6.8882861599608365,14.884525154597696,1.020308192612793,11.81860549766582,0.6666831209075567,39.18511194668851,27.0,57.68546,3.0,16.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0260,3.275967007315955,3.895651653203976,4.542832710551069,5.2010516257612025,5.85690667295726,6.500323776807642,7.124312918281331,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_14,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430418469183142,0.5058367997519174,1.4022957367230466,3.006643840542888,4.6641310495927,5.777221313992171,6.362164859346106,6.635165535462063,6.73747620580427,2.4136879650148844,0.3975510466357136,0.0206771715064658,8.712138484559935,2.293820250538433,5.740282592854427,0.3408259250589582,6.384299071325023,13.786423890485032,0.9596069898066604,11.45845418563074,0.6572718623389983,36.76620112699885,6.384299071325023,13.786423890485032,0.9596069898066604,11.45845418563074,0.6426505500353328,36.76620112699885,27.0,57.68546,3.0,16.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0260,3.336037671182076,3.9625561120016273,4.616429601703835,5.280695177205125,5.941584470653298,6.588804651997384,7.2152735553117795,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_15,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412048457031244,0.4841800037121588,1.339748405131664,3.012979749380052,4.777897649751625,5.959826333736628,6.5786553311562175,6.866890753660312,6.974815082655373,2.38530599136237,0.3847819800489689,0.0202255915838225,8.88491106481109,2.140297759561438,5.925007267535819,0.3586544197662793,5.579378805743311,12.07875604819874,0.8492417799452137,9.638255753070135,0.4844841037735292,33.31856726742838,5.579378805743311,12.07875604819874,0.8492417799452137,9.638255753070135,0.4785206270571817,33.31856726742838,27.0,57.68546,3.0,16.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0260,3.5220240359917616,4.147381390391146,4.7980466819707335,5.4573507685264,6.111998958202707,6.7521935004176825,7.37129053458953,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_16,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1599090975743464,0.7878812981189118,1.9132209680741965,3.508769309005146,5.028517455750969,6.019947314339972,6.535277719133398,6.774741736792112,6.864330237263279,2.9422528400229506,0.6092345903431595,0.0102843638603805,8.327508915372691,4.320458222025192,4.795711064839168,1.2941108770746397,1.9355241309765925,4.038030898848709,0.1706948685139944,3.2369858320209683,0.5325822334088343,12.895240492193464,0.2686242922097242,0.369931124850599,-0.1626850992393793,-1.0970301202555237,0.4158870252579321,-12.687062862536107,22.0,46.6827,2.0,3.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0260,6.619764268524599,7.438123465840272,8.243057943972023,9.029806385440423,9.794726978198332,10.534860856883576,11.247795072878752,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_17,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290597458289781,0.9424093791480164,2.169702004730808,3.817760141963504,5.344548374303783,6.331254900557353,6.842390081875328,7.079587470489219,7.168281492281861,3.2406410598137234,0.7432602580031349,0.024367355988109,9.606559466012175,5.234038134124174,5.549605583019912,1.7080983224456292,2.8912322892722053,6.237894447414398,0.4176220278802431,4.85433489686563,0.3075120547176572,18.5888640566548,-0.4238169798749009,-1.0570438519058054,-0.2453878259491781,-3.764793202916846,0.0754586058773599,-14.11077480644711,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,9.326984442975458,10.064121099451745,10.78646736296153,11.489358497009956,12.168582951458443,12.82074395314887,13.44338767274876,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_18,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1131611512982768,0.744667248859713,2.1568467325234586,4.036699198291908,5.646961191407325,6.641233468469749,7.146048206714052,7.378338132600192,7.464901942183026,3.396900255182456,0.5439171117791163,0.0047778897133459,11.281057239067977,5.38786953781767,6.684485984377891,1.6539036442831851,1.9297581197152207,4.092973612002102,0.1820953976413841,1.4881665339153274,0.2435377824445075,7.476987077677703,1.2952758726332343,2.6967624342213417,0.0551989482249867,-0.1614873084978384,0.1991240251487685,-1.3073340851520625,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,7.593802169091358,8.330491519053883,9.064613694386107,9.792955585066474,10.51088470033893,11.213418342027309,11.895939947097371,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_19,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.231268707180744,0.9312903513962628,2.1533602188382344,3.857066995436391,5.430613895792136,6.440804146514447,6.9625124441738775,7.204320372782865,7.294695477966747,3.259185076511492,0.7379403461210866,0.0249146225596626,10.152959816198758,5.230933892797999,5.909110072810358,1.6923549045295012,2.7069155518649035,5.844178332206676,0.3966494150174534,4.654506666083812,0.2878756661208059,17.714153179041382,-0.493575969609181,-1.1986696863561634,-0.2434488892773634,-3.6667712897488087,0.0638412596176202,-13.730939509799043,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,9.08286120067801,9.82156461509084,10.54978423339996,11.26131239739685,11.950746663971,12.61384558006111,13.247591975431009,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_20,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2285013694992554,0.9417132903597952,2.1571642935794304,3.767991338166749,5.272308060703393,6.256897851221752,6.770956250789855,7.010424395219038,7.100114098906163,3.203918779295792,0.7425821734627523,0.0243154057274126,9.314854647813826,5.128268322899892,5.367198080487006,1.7066453152825585,2.342029437974001,5.058444244702907,0.3587977085486893,4.632236775612513,0.2964263962116862,17.109317472918843,-0.8833386907935147,-2.0391460417927063,-0.2862759172048138,-3.7537203591830286,0.0706506271979604,-15.223750897978084,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,9.482731246769024,10.180191474875963,10.871682204161372,11.551130596519108,12.212835762176391,12.852061749958583,13.465245223453788,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_21,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1598925493233329,0.7878721381735106,1.9132178943460527,3.5087375395815346,5.028458673816173,6.019876270907041,6.535202150967094,6.774664492534814,6.864252434677074,2.9422325545971884,0.6092214477685636,0.0102807471370061,8.327386046849046,4.320348925342231,4.7957077879271,1.294073833761757,1.935337399298988,4.037627590499695,0.1706671597373706,3.2366594212286843,0.5325639775922623,12.894003125231922,0.2686637749087487,0.3700256130005049,-0.1626675651406771,-1.0967659989688214,0.4158849843996842,-12.686087662500771,22.0,46.6827,2.0,3.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0260,6.619990171287348,7.438294393012102,8.24318355261022,9.029894983713676,9.794785675503125,10.534895666414023,11.24781101333438,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_22,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290652128434157,0.9424256392925928,2.16969253359983,3.817679705197007,5.344418147501633,6.331104398088744,6.842232451700182,7.079427257974562,7.168120427758522,3.24058485916444,0.7432750025117008,0.0243677648507047,9.606088745829156,5.233867605373415,5.549398970699053,1.70807538767637,2.891162410598938,6.237744758521768,0.4176172087516889,4.854408017976608,0.3075177325171646,18.58897428620621,-0.4239521377705505,-1.0573371911218086,-0.2454057009222089,-3.7648898077840616,0.0754597141313006,-14.111475082639728,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,9.3267900436562,10.06394506162526,10.786306800310694,11.489211064039488,12.168446768520829,12.820617521376064,13.443269797133595,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_23,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1131768605199157,0.7447067251041614,2.15687019318772,4.036701102557818,5.646953667871415,6.641223840001522,7.146038466901787,7.378328541816097,7.4648924379918915,3.396908198324168,0.5439546782226699,0.0047789855174763,11.280972610530874,5.387927814818664,6.684457565404918,1.653951141338318,1.9296172594783805,4.092669336327774,0.1820724000726509,1.487830430947966,0.2435172441080525,7.475788334690579,1.2953720269466344,2.696979721389576,0.0552233535663018,-0.1612071736345734,0.1991200778308304,-1.3060987400778052,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,7.593647278328555,8.330341843947238,9.064468631627346,9.792814753244285,10.510747903826086,11.213285514628955,11.895811098519175,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_24,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2312558286597995,0.9312634815339278,2.153368230355846,3.857124230011901,5.43070284661209,6.440909683763536,6.962625878723057,7.204437355978535,7.294813771961017,3.2592272036137007,0.7379131161672353,0.0249137011159344,10.153377948866224,5.23103801344207,5.909398704941459,1.692389858531007,2.7067455789852204,5.84382255808789,0.3966397596140227,4.65448840584491,0.2878510071513591,17.713811383920802,-0.4937924858721988,-1.1991278816102349,-0.2434678533574612,-3.666910562784381,0.0638133426113399,-13.7313418212502,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,9.08255493641931,9.821278817159412,10.549519135852927,11.261067599425427,11.950521326343834,12.613638584737611,13.24740205029618,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_25,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2285085134919487,0.9417340695335004,2.157221077026307,3.768101217727149,5.272449324777552,6.257048311527002,6.771108178298059,7.010576271249935,7.10026583917457,3.20401167821026,0.7425990424131912,0.0243164730157834,9.315353231286418,5.128526670891851,5.367458120319922,1.7067349803595926,2.3418923188987284,5.058148553420009,0.3587753796692726,4.631892238762586,0.2964013173210004,17.108097140564983,-0.8832345293625462,-2.0389107827750355,-0.2862499899829822,-3.753437566716727,0.0706424379427114,-15.22243700872143,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,9.48267281612588,10.180129039119455,10.871614078395767,11.551056096778506,12.212754951208568,12.85197518739244,13.465153757903405,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_26,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1598955617334505,0.7878549669488767,1.913180775044107,3.508700762266282,5.028427384289641,6.01984724071862,6.535173629540861,6.774636040673441,6.86422398118551,2.9421941003635603,0.6092100552605284,0.0102823868480749,8.327268195751085,4.320246616196891,4.795662431920898,1.2940563141145838,1.9354422408157943,4.037851368310591,0.1706813874639614,3.2368763218318266,0.5325829673296093,12.894806552305337,0.2686274036241478,0.369938644698838,-0.1626815799743678,-1.0969164899820991,0.415894051107691,-12.686885792691546,22.0,46.6827,2.0,3.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0260,6.6197806120763065,7.43813221054937,8.24306434954251,9.02981388980404,9.794737692778956,10.534875936433512,11.247814999128344,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_27,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290140199332382,0.9423493776731628,2.1696521450159287,3.817721080199911,5.344526277477479,6.331248313914758,6.842392790037392,7.079594759932132,7.168290536539007,3.2405977474105936,0.7431998727769491,0.0243541991777414,9.606556286209283,5.233847498483678,5.5497093352708,1.707995642336177,2.891232417475696,6.2378911582747945,0.4176194347200744,4.854344005521731,0.3075216787358378,18.588903869529123,-0.4238094986534486,-1.0570309603470256,-0.2453889485057544,-3.764764976414044,0.0754687446067979,-14.110911227956803,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,9.326865481961814,10.064015620352729,10.786371385302276,11.489269291204106,12.168498711346976,12.820663534032532,13.44331039163815,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_28,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1131688445780146,0.7446779345886091,2.156833859237656,4.03664630033535,5.646876373471792,6.6411331183964535,7.145941492218585,7.378228850970899,7.464791762872809,3.3968612771018964,0.5439293797951475,0.0047787558449475,11.280721280908471,5.387750872887416,6.684320577201865,1.6538830739753936,1.9296202591857623,4.092673875295756,0.1820734372651075,1.4879263626572423,0.2435291499307831,7.476083270117236,1.29531175819055,2.6968450348137387,0.055211737066065,-0.1612757399303104,0.1991275548611182,-1.3066687375067485,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,7.593704375446836,8.330407606651008,9.064543570644648,9.792898795602168,10.51084047576627,11.21338568278009,11.89591771588002,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_29,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2312843601725353,0.931278594942043,2.153336750821059,3.8570315587777473,5.430563190454526,6.440743398359654,6.96244667774343,7.204252337412913,7.2946266048634385,3.259154654457619,0.737934154649728,0.0249254441935381,10.1528616755955,5.230854128350146,5.909116976828966,1.6923690504025328,2.7067898443693545,5.843918915407329,0.3966474016819842,4.654586974564606,0.2878552218671984,17.7141646255008,-0.4938203704125982,-1.199190293951527,-0.2434746412744063,-3.666999583868472,0.0638125068324619,-13.731672854903774,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,9.08280343042549,9.821514124970191,10.549741866064847,11.261278400986322,11.950720845938044,12.61382745038926,13.247580865370317,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_30,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2285071144108097,0.9417357507028188,2.157208099290859,3.7680849137120265,5.272435908428205,6.25703860024383,6.771101018341233,7.010570451703719,7.100260546967273,3.2039953125500764,0.742602297731551,0.0243134905526937,9.315280625420533,5.128502104436942,5.367370031355094,1.7067106294094854,2.3418436038034347,5.058042175440169,0.3587683978659547,4.631856711309547,0.2964036267459028,17.107925370357847,-0.8832565777176598,-2.0389584792064377,-0.286251638438264,-3.753403760645298,0.0706466140394265,-15.222489625237888,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,9.482686738772978,10.180147143110034,10.871637734893245,11.5510858376279,12.212790704980602,12.85201649395463,13.465199938162913,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_31,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1598826879395575,0.7878469018946187,1.913161123524015,3.5086355515472647,5.0283161802493845,6.019706795783222,6.535018261310664,6.774473799411201,6.864059178310518,2.9421460184794066,0.6092001007091554,0.0102794200726558,8.326797742230967,4.320105809177634,4.795330770836316,1.2940094794053347,1.9354802822403088,4.037930025786923,0.1706820338672435,3.236847342163845,0.5325882396933367,12.894788842654766,0.2687039576048317,0.3701020510576732,-0.1626732310598519,-1.0968462561095178,0.415901872293474,-12.686635123883708,22.0,46.6827,2.0,3.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM0260,6.619896519611449,7.438234584412371,8.243149631516305,9.02988081743156,9.794786483131846,10.534907705022007,11.247831353718317,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_32,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290398109661974,0.9423580273704664,2.169614580461551,3.8176289163552783,5.344393317313483,6.331093456244208,6.842227897378915,7.079425504743551,7.168119697292294,3.240523350072072,0.7432151303905651,0.0243655491925462,9.60602402686519,5.233637348285518,5.549409021963262,1.7079567853299416,2.891184710099065,6.237786284315232,0.4176128164275764,4.854341687293327,0.3075277933036167,18.58883411922865,-0.4238524827852304,-1.0571254405606896,-0.2453946221492826,-3.764755014205841,0.0754751898017163,-14.111161067993022,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,9.32692967223198,10.06406992786268,10.786418352288075,11.489310789680864,12.168536083788888,12.820697724725628,13.443342054855298,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_33,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1131616006998412,0.744663401156011,2.156802904114122,4.0366021568212505,5.6468235092673496,6.641073526037898,7.145877848537867,7.378163184012891,7.464725315543035,3.396820722684513,0.5439168688435754,0.0047777358101213,11.28038785448948,5.3876304541676685,6.684089739466124,1.6538553026945813,1.9297343917337728,4.092918722826586,0.1820911035569667,1.4882154727001735,0.2435521221646223,7.477110303122115,1.2952281983449383,2.696654849952401,0.0551898648791998,-0.1615006301107956,0.1991366886274039,-1.307805123781784,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,7.593778716595473,8.330465550731065,9.064586788119572,9.79292890565273,10.510859059073733,11.213394261863998,11.895917727410035,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_34,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.23128997169421,0.931284216147962,2.1533282991664,3.857013473435176,5.430533428203906,6.440702729084484,6.962399338636957,7.204201679830294,7.294574671233802,3.259139714119247,0.7379415528307552,0.0249259569098393,10.15257544087398,5.230822753491026,5.9088924358274175,1.6923498805749146,2.7068204994889857,5.843974450417457,0.3966385981847068,4.6544315101300775,0.2878693389716024,17.713787525702088,-0.4936293730852316,-1.1987819175754817,-0.2434513763301365,-3.6667381585628855,0.0638378478914074,-13.73091975748326,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,9.082567156606556,9.82129506303578,10.549538250222582,11.261088695307372,11.950543700520951,12.613661676482364,13.247425416760038,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_35,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2285195154006705,0.941734212686682,2.157165531326952,3.767994720656428,5.272331041910829,6.256934639006269,6.770999672702863,7.010470711555797,7.100161463959517,3.203917795442426,0.7426052182228742,0.0243201780551893,9.314855166803673,5.128238952317744,5.367242082194724,1.7066444013809283,2.341784977812942,5.057912658696836,0.3587579565148567,4.63177750038622,0.2964074616633845,17.10761618512852,-0.8832501313696415,-2.0389448008851168,-0.2862490653216599,-3.753313783488496,0.0706550040206039,-15.222385014105402,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0260,9.482658248717437,10.180126440254224,10.871624944404909,11.551080610369349,12.21279239625924,12.852024301401451,13.465213001321676,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_36,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0996746495096427,0.6130332803927362,1.8737370884216893,3.775796683074799,5.506121019818882,6.590724628033185,7.142562261368783,7.396457134486107,7.4910490341335025,3.108056182203621,0.4483150117962727,0.0050407928513048,11.31059690640171,4.3678973043171165,6.949627397379134,1.12040188584169,6.193580563504449,13.137808507366238,0.5780234916838937,3.123935684526133,0.6002146890683226,20.143031447988225,3.9831473278504,8.527043212199118,0.3837056098722894,-2.5410651154838217,-0.5042355838268471,11.47315630642204,21.0,44.6867,2.0,2.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0260,9.735241308356551,10.583373177472096,11.392306374639364,12.16255018937765,12.8939297291104,13.58614185430734,14.239104414340762,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_37,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1002609810713982,0.6357341530016545,1.930765811842256,3.768234282176034,5.3925260750383135,6.407049405446216,6.924139298100024,7.162404939295139,7.25124051732366,3.1333390339134373,0.4621282074403727,0.0050375269440428,10.333614304352,4.496881746944744,6.185993570162075,1.243492053232563,6.03099510820413,12.798666379626098,0.5623102251174897,2.966351472736913,0.5666187403911748,19.76927457410333,3.8988277327509,8.3595512579566,0.383080454433402,-2.2429671857635016,-0.4731495197161566,11.863816637083747,21.0,44.6867,2.0,2.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0260,10.112384921734158,10.919309924534424,11.688116983399846,12.420578196115152,13.11731697425355,13.778413072521497,14.403854904603604,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_38,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0996876294739622,0.6130555893435653,1.8737463703735355,3.775766962221922,5.50605401425682,6.5906369872980415,7.142465167122216,7.396355937357026,7.4909463484158465,3.108041249251281,0.4483372986002303,0.0050421888266605,11.310401683393392,4.367808355803208,6.949563493126188,1.1204341307319294,6.193428492457991,13.137490509310636,0.5780180173210009,3.124136331456786,0.6002140846494827,20.143114025805986,3.982753463966984,8.526203101370557,0.3836615201251505,-2.54128732940444,-0.5042446791853976,11.471817882958089,21.0,44.6867,2.0,2.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0260,9.735088754956298,10.583239941188078,11.392190669765844,12.162450066896326,12.893843268896454,13.586067263552351,14.239040072099122,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_39,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1002590649010636,0.6357507767134323,1.9308252305897176,3.768332673906982,5.392658564750784,6.407204990593791,6.924307162858823,7.162578565029359,7.251416306490421,3.1334246735245,0.4621373819714922,0.0050372079457473,10.33404417522234,4.4971761209846175,6.186199250017143,1.2435743191608222,6.031443183224025,12.799624876004644,0.5623559972680439,2.966438189162629,0.5666282045841304,19.77039269985107,3.899316960415746,8.360591278979236,0.3831256242576744,-2.2430307868904413,-0.4731608091007246,11.864957906685188,21.0,44.6867,2.0,2.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0260,10.1123377016904,10.919285469536314,11.68811195188598,12.42058917663643,13.117340775270572,13.778446864819038,14.403896269775329,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_40,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0996878114849551,0.613051476178586,1.8737336975650845,3.775770447302056,5.506083090251888,6.590683257199192,7.142520198025335,7.396414981002804,7.491006883037927,3.10803667914418,0.4483352038328687,0.0050422120201921,11.310468264110442,4.367819439780724,6.949555789658567,1.1204022820968689,6.19332206488922,13.137255735912984,0.5779987500364822,3.1239418182294405,0.600212665548567,20.14246398142877,3.982829950100785,8.526364390842174,0.3836725308324725,-2.541088815035577,-0.5042273112242053,11.472147946610598,21.0,44.6867,2.0,2.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0260,9.735171859339864,10.58331503194466,11.392256157330696,12.162505472061245,12.89388882829539,13.58610364065037,14.239068153670054,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_41,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1002552915431858,0.635746386171042,1.9308187862225432,3.7682978474802926,5.39258412726732,6.407102607915763,6.924190105866753,7.162454695815713,7.251289892250572,3.133402276842111,0.4621322739395035,0.0050367528752,10.333705753173922,4.497116468706057,6.1859550806358286,1.2435821958017286,6.03136183805383,12.799451219342762,0.5623488845202671,2.966458972587848,0.5666282281328813,19.7702452559526,3.89920431474496,8.360349364521806,0.3831128581832478,-2.243056411644502,-0.4731574439321008,11.86453022388095,21.0,44.6867,2.0,2.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0260,10.11237656021922,10.919313065627415,11.688130494824662,12.420600818281004,13.117347376216868,13.778449925709936,14.40389694592803,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_42,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0996627012402544,0.6129957594650965,1.8736855501337824,3.775727512774908,5.506025072013593,6.59060909184598,7.142436330243179,7.396326359452478,7.490916446799266,3.1079948812571496,0.4482829574531976,0.0050396295903492,11.31016814176469,4.367700690069183,6.94940627671269,1.1203874794173718,6.193298126693598,13.1372067571392,0.5779955073681745,3.123868570515341,0.6002030747797995,20.14236447723543,3.9828260451282858,8.526365018828573,0.383678694522282,-2.540998944176171,-0.5042315084719772,11.4726421291722,21.0,44.6867,2.0,2.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0260,9.735172891106416,10.583312845165858,11.392252290577623,12.162500836005986,12.893883946416713,13.58609880168263,14.23906350680954,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_43,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1002617007387328,0.6357453664333252,1.930780109240548,3.768236771951444,5.392525489036121,6.407051385960405,6.924143712798449,7.162410700487826,7.251246814512677,3.133345141962355,0.46213630412647,0.0050375282826215,10.333492021932472,4.496919104687636,6.185936189727069,1.2435491988053768,6.030972384306126,12.798615248109051,0.5623047048470771,2.96627794635631,0.5666188306716442,19.76907119471081,3.898859725505375,8.359621481633056,0.3830868047437271,-2.242907117716902,-0.4731511821284079,11.864099325505167,21.0,44.6867,2.0,2.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM0260,10.11238720963925,10.919311718005792,11.688119543176697,12.42058223983101,13.117322818256264,13.778420765003895,14.40386433051324,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_44,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,0.0001859684767851,0.0267457700273548,0.397385773959738,1.728216783039337,3.4907246407365475,4.77947530342604,5.47816577595477,5.808269308310618,5.932573718992145,1.1736274299493334,0.0118591891996909,3.690024896642433e-08,4.993773081493064,0.8183633627814173,3.437534467537668,0.0208964239053826,12.280486999866948,26.3263192799738,1.3495279445736106,7.667184662537001,0.6940680150032791,43.47404701473681,-9.032879416420514,-19.464892072489384,-1.0542908915330254,-7.667184662537001,-0.6112205710770658,-36.97883184784395,11.0,23.2404,1.0,-1.0,0.2799999999999998,22.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.2500000000000002,-71.0,RSM0260,22.236269146239906,22.496660008399985,22.70197253275396,22.86651357871064,23.000296803380863,23.11047456042544,23.20225289379746,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_45,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,0.0001859960420612,0.02674931154795,0.3974223799190525,1.7283252915460925,3.490887705110428,4.779662345049726,5.478361801827353,5.808468745128935,5.932774311282761,1.1737108190986405,0.0118608447986064,3.6907457013795934e-08,4.99419913336044,0.8184783526135533,3.437790103818113,0.0209036648761797,12.280440793088884,26.326222407364828,1.3495226527298694,7.66708114973759,0.6940565988164283,43.473922590836686,-9.032915551635249,-19.46496916904855,-1.0542930853249934,-7.66708114973759,-0.611206994439532,-36.97887210792941,11.0,23.2404,1.0,-1.0,0.2799999999999998,22.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.2500000000000002,-71.0,RSM0260,22.236282643109664,22.49667279461908,22.701984570670664,22.86652488778225,23.00030742269026,23.11048453399153,23.20226226515963,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_46,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,0.0001859766013201,0.0267423110942512,0.3973529785675216,1.728154283048554,3.490660242511975,4.7794187136004,5.478115200393176,5.8082218986302605,5.932527548751041,1.1735717219708317,0.0118578086427105,3.691118118882495e-08,4.993730199345802,0.8183097255760146,3.437537583790415,0.02088959150597,12.280392469934975,26.326111589937188,1.349510030527307,7.666960876645024,0.6940660892216122,43.47325162474498,-9.032707576231228,-19.464521044152413,-1.0542659492815116,-7.666960876645024,-0.6112147465219034,-36.97788183733749,11.0,23.2404,1.0,-1.0,0.2799999999999998,22.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.2500000000000002,-71.0,RSM0260,22.236394678858804,22.496766919273337,22.702064444267315,22.866593285732066,23.000366481790227,23.110535920358405,23.20230729226647,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_47,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,0.0001859895027046,0.0267481265565376,0.3974170312828786,1.7283183388693717,3.4908839600405708,4.779663213379778,5.478365806112871,5.808474369165443,5.932780567039018,1.1737038723574575,0.0118602516944994,3.690743217051998e-08,4.994072604772249,0.8184388113329646,3.4377282194889376,0.0209034844275794,12.280441069506413,26.326222218980124,1.3495203932593447,7.667031692497178,0.6940510661200522,43.47379470370608,-9.033089946468367,-19.46533685172074,-1.0543066548013411,-7.667031692497178,-0.6112060690493057,-36.97909245763,11.0,23.2404,1.0,-1.0,0.2799999999999998,22.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.2500000000000002,-71.0,RSM0260,22.236168348335905,22.496575795679075,22.701901479021725,22.866453061879906,23.000244803469503,23.11042950887339,23.202213562111933,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_48,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0688965831403001,0.3665198343716651,1.2252339615241383,2.8029356537738104,4.4227527211656765,5.505218500254733,6.072968015069421,6.3377526535710285,6.436957492503353,2.220404432067052,0.2701370110831239,0.0048383060247472,7.596330025329381,2.253069486885152,4.685448323522131,0.3085343259507461,7.305559073406941,15.57148798917895,0.7899818735303967,6.553919488682009,0.9244324378894154,28.692077381153386,1.6095743830196811,3.533995690799279,0.1323430305641166,-6.245803904163497,-0.9244324378894154,5.674717877333577,20.0,42.694,2.0,1.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0260,12.946527385944682,13.782666927149307,14.54426310218552,15.240702872421505,15.879136800073294,16.465272593261304,17.003876133964727,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_49,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0695145329649206,0.3980709960943579,1.422318299712087,3.171890475268682,4.8300279828325055,5.8950040002416735,6.444592044916938,6.699231021175356,6.794388409825986,2.5462557007136275,0.2866664799709797,0.0048594830143693,8.156667700348965,2.814327109245517,5.131719441652363,0.6170227029692551,7.816296700303384,16.654605949450875,0.8688608439162588,8.107770292997149,1.0487916947114753,30.652360329986667,0.84051904092299,1.8572979464734616,0.0101648384237006,-7.974329210823928,-1.0487916947114753,0.5980001377471358,20.0,42.694,2.0,1.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0260,13.374658646974552,14.2166840031322,14.971394328666005,15.65192768412389,16.268651113527692,16.829808325139975,17.34204220983627,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_50,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0688751564489561,0.3664875380107066,1.2252407416957152,2.802994492885077,4.422840882989009,5.505319209344189,6.073073878669174,6.337860656893612,6.437066258678128,2.2204477146718284,0.2701029734737584,0.0048352346542159,7.59644286943833,2.253165974166859,4.685495323022665,0.3085842361127197,7.305490045398687,15.57133670396867,0.7899639280171774,6.553516586943395,0.9244128419558794,28.691491607067785,1.6098907394253916,3.5346758771041555,0.1323860939832026,-6.245397151763673,-0.9244128419558794,5.676267415878661,20.0,42.694,2.0,1.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0260,12.94921114727326,13.785107471636678,14.5464895214389,15.242739702871202,15.88100492340974,16.466989972456155,17.005458370617518,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
RSM0260_51,RSM0260.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0695058884758514,0.3980444392473012,1.4222311562546506,3.171739334769962,4.829849795348553,5.894818893796955,6.444405634797052,6.699044442790458,6.794201833668314,2.546122147100869,0.2866461912304324,0.0048582450142141,8.156070322782107,2.8139760067321467,5.131449146333153,0.6169707927158079,7.816515383377221,16.655072613958385,0.868888665201915,8.108050313125942,1.048815404261378,30.652846822089305,0.8406101605502756,1.857478889019751,0.0101623079045129,-7.974666125989161,-1.048815404261378,0.5974243166802342,20.0,42.694,2.0,1.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0260,13.378193008945429,14.21992077383795,14.9743713852118,15.654676404209464,16.27119752703165,16.832174174542963,17.344245835099763,Cl[Ni].[O-]C(=O)c1cnccn1.cat0,"linker [O-]C(=O)c1cnccn1, nodes Cl[Ni], topology "
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RSM0094_31,RSM0094.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0768647523904653,0.3574715755107292,1.0546672898449654,2.336678160036471,3.7055164572236414,4.644757714915964,5.1439673212014245,5.378195251341816,5.466172579761711,1.857200801612814,0.272316039680907,0.0060909363644698,5.645340930367526,1.383951428328825,3.699544039996773,0.2058191590134212,6.088309881630032,14.452380152630132,0.4312224055025545,1.2739741574938157,0.4648659112908556,13.637848972898295,4.9305100759121725,12.106171402834264,0.3951890913131106,-1.2739741574938157,-0.4648659112908556,12.376682976267755,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0094,15.921135881048135,16.55902041323977,17.12481034050546,17.631361785595516,18.088512735543933,18.50382395943528,18.88314791918602,[Cd].[O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM0094_32,RSM0094.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671789993052279,0.3487927042274171,1.1441109777753131,2.6919526392968627,4.3396736776285305,5.454612663499995,6.041785419780767,6.316027878500385,6.418831723732144,2.110637445634963,0.2595157249209772,0.0046367528415717,7.100328999780904,1.989767195166084,4.554482594769075,0.299007282361636,7.857624982587618,18.59580594636199,0.5274137408505023,1.5286600923815912,0.6745780786175077,17.839966118351004,6.2067414400924426,15.30339579855954,0.5274137408505023,-1.5286600923815912,-0.6745780786175077,17.839966118351004,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM0094,15.19790282495121,15.928123231903772,16.583320953618514,17.17375481274761,17.70780893054596,18.19237293755468,18.63316750941829,[Cd].[O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM0094_33,RSM0094.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0709162694050585,0.3433069272268132,1.04123584031486,2.423315511518308,4.00777145719778,5.13446679073029,5.742234883190298,6.029124742211606,6.137139994137354,1.8919751691003328,0.259961863219067,0.0051956999602734,6.16529197660795,1.57785434450004,3.9453910266139247,0.1741592364702887,9.484715248181654,22.52682569791349,0.686099102231629,2.1108153251172728,0.6979542508342862,21.269434334376204,7.665541739708229,18.810267217427626,0.6001701718601125,-2.1108153251172728,-0.6979542508342862,18.261921771373128,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0094,15.578710785657892,16.249081434201777,16.85271561895271,17.399053448267495,17.895603192035388,18.348399360199075,18.762367446188414,[Cd].[O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM0094_34,RSM0094.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0698794092087072,0.3432929953297787,1.065523535677216,2.5113159025482337,4.151844712805953,5.308914328405246,5.9306347170806974,6.223613907189321,6.333845857920462,1.9567581181834004,0.2590056653278562,0.005041652174976,6.487410783177046,1.700872455296314,4.162769669480427,0.2150997609004474,6.1473286617096266,14.250916748574229,0.4872605137569057,3.4508956015529053,0.6749607783739497,17.32779172911713,2.645360898572996,6.942014971679374,0.1721912032642908,-3.4508956015529053,-0.6749607783739497,6.300365861875607,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0094,15.602004420395597,16.28394321477581,16.895310145509306,17.44676666295476,17.946607908584042,18.40138619119044,18.816377943969133,[Cd].[O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM0094_35,RSM0094.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686836190612508,0.3459628643908838,1.098850460707881,2.538823986200444,4.093221643261819,5.163474166429227,5.732936168855231,6.000221870240481,6.100628269195394,1.9972686727119608,0.2592227158059975,0.0048631128814199,6.71993886302748,1.897548148765396,4.188200349633445,0.2332061035877746,5.494607528188755,12.94680123070187,0.3585830486559377,1.1916109443175007,0.5260518602607052,12.890660328935631,4.067607102636254,10.100909071829337,0.3585830486559377,-1.1916109443175007,-0.5260518602607052,12.890660328935631,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM0094,15.698643822522486,16.39034585487981,17.00447402221602,17.554616902279907,18.05083053805509,18.50073902782045,18.91027545440317,[Cd].[O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM0094_36,RSM0094.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0732611058815336,0.3528490801605541,1.1293129547711245,2.68673731160914,4.332653767960751,5.430174658930961,6.002975904884598,6.269336444429635,6.36899911601594,2.1007760417747434,0.2665021927891161,0.0055325171772128,7.3641990251894205,2.1010401306663686,4.422797759779414,0.2241845405482447,8.044736843941937,19.06699019200268,0.5998760516655951,2.192283929549381,0.6044488929902877,18.56571285335114,6.157211593014484,15.163824106109011,0.4652700811061366,-2.192283929549381,-0.6044488929902877,13.854503883770096,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0094,15.774157877461986,16.439272957029132,17.027808855615884,17.554396580643793,18.02962520515636,18.46132846441986,18.855438410266785,[Cd].[O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM0094_37,RSM0094.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0638997636081883,0.3486849258037121,1.2085584060735024,2.938813543625596,4.804865189677253,6.070969120864997,6.73773952601133,7.049065183576488,7.165749455599838,2.2846410543686115,0.2561611715996892,0.0041938386299678,7.706852746608207,2.3075497448752635,4.750766095960613,0.3901214367473944,12.85883304942983,30.62906977921409,0.9465941629933704,2.676051855839315,0.8602027399108376,28.19124510215628,10.81521294728681,26.432246546212056,0.8289592867603773,-2.676051855839315,-0.8602027399108376,24.07402443400151,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0094,15.163428801842745,15.900611128509128,16.563683599564314,17.162786617849683,17.7058506405022,18.19928888608211,18.64844429023737,[Cd].[O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM0094_38,RSM0094.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0597862874975526,0.3412744246764712,1.2002610991320497,2.799433170089301,4.454729587849872,5.570074405196078,6.157918402043939,6.432714307733463,6.535772021844565,2.207811940309198,0.2482170500391499,0.0036777448147581,6.827524212711899,2.189378473975256,4.14617016385961,0.3951223240683652,13.409073864077966,31.938268691276285,1.0178155955665702,3.1833268567345168,0.8671044087543828,29.696550050908613,11.081955165090047,27.092213667437097,0.819011581621031,-3.1833268567345168,-0.8671044087543828,22.73840956281473,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0094,15.028017097285796,15.823376522545392,16.5335035472668,17.170523329057055,17.743920894666445,18.261371646716007,18.72927186951985,[Cd].[O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM0094_39,RSM0094.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0768812444656208,0.3575028820046017,1.0546937092921305,2.336686612939447,3.705511357469088,4.644746395884893,5.143953506204877,5.378180433970927,5.466157411971059,1.857215497931313,0.2723456114671066,0.006093539008599,5.645335427051743,1.3839377901555687,3.6995506625742096,0.2058260550826997,6.088593058948592,14.453038190851744,0.4312435968301177,1.2741104209874257,0.4648972092360363,13.638621422452006,4.930648824520886,12.106530328455902,0.395199544430093,-1.2741104209874257,-0.4648972092360363,12.377079588451142,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0094,15.921632537180724,16.55943061981403,17.12514992321105,17.631643070961427,18.088745511144428,18.504016136021484,18.88330598512045,[Cd].[O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM0094_40,RSM0094.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671657202845154,0.3487587501742178,1.144054705902659,2.6918959996522696,4.3396292090638005,5.454577048995135,6.041754222451623,6.315998660732032,6.418803233098665,2.110578244397035,0.2594867313243578,0.0046349382331799,7.100163078864186,1.9896855487245344,4.554379619299796,0.2989857163099655,7.857422129657639,18.59530608770778,0.5273965572162228,1.5286634430629629,0.6745797205415093,17.839650654828457,6.206486062774971,15.302791189430618,0.5273965572162228,-1.5286634430629629,-0.6745797205415093,17.839650654828457,40.0,96.4116,3.0,0.0,0.0,78.0,-2.0,-3.9887,0.0,-4.0,-1.75,0.0,RSM0094,15.196954469349803,15.927352885975358,16.582689481783365,17.173233284161487,17.70737549362272,18.192010781098805,18.632863500269146,[Cd].[O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM0094_41,RSM0094.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0709161397745128,0.343298128660139,1.04119668350858,2.423249680536673,4.007689273809773,5.134375557415612,5.742139209154979,6.029027050857444,6.137041554800411,1.8919170329067585,0.2599570231638837,0.0051956999265414,6.165038499330906,1.5777611428421807,3.9452317808217305,0.1741362068970698,9.484393527954374,22.526050870315167,0.6860758885366417,2.110791928385132,0.6979385939878974,21.26880993378505,7.665218082528795,18.80948649831632,0.6001449822495961,-2.110791928385132,-0.6979385939878974,18.26122821373845,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0094,15.579225655110871,16.24950914672142,16.85307263908878,17.399352597839517,17.895854635361754,18.348611262272325,18.76254643152238,[Cd].[O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].cat0,"linker [O-]C(=O)c1nc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Cd], topology "
RSM0216_0,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2693608612841262,0.980169698363289,1.8536505284775635,2.9975442934488155,4.245269416380637,5.137290962724451,5.621222549230689,5.850322691850264,5.936688049543297,2.574597774599828,0.8026395472127406,0.0281374220487354,5.322523503525532,3.279477647159945,2.9439229712131563,1.06939782439698,2.737890382349704,5.785102736626917,0.315022213739717,5.258068092267439,0.6276945693836483,19.98989618654286,-0.4123317550474671,-1.147124888266703,-0.315022213739717,-2.932509464965204,0.4071790197658467,-19.98989618654286,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0216,19.007840809349016,19.614407105701808,20.100355418724536,20.49454470291271,20.818045456327862,21.086405365808503,21.31123308378066,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_1,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2694198412194936,0.9802759371776132,1.8537787762888944,2.9975912346581994,4.2451729102698,5.13710571724906,5.620996916157006,5.850079909183999,5.936439129085569,2.5746882345892965,0.802739412655039,0.0281487161710978,5.322610204555579,3.2797858902800554,2.943647432683359,1.0694984621494337,2.7374063917650258,5.783974177355628,0.3148638130949735,5.2563168965248135,0.6277761947823612,19.9843082207246,-0.411231739184709,-1.1447677589820733,-0.3148638130949735,-2.930142243944497,0.4073715256158799,-19.9843082207246,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0216,18.998797127085908,19.606268077054168,20.093058714475443,20.48800672402074,20.81217952533947,21.08112984713008,21.306474515288333,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_2,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2693675022727072,0.9801831170321944,1.8536697345399968,2.9975722487924683,4.245303137506967,5.13732770340786,5.621260770562322,5.850361594120004,5.936727206274581,2.574622956978864,0.8026519704382897,0.028138382564978,5.322617218974816,3.279548395060252,2.9439615170052926,1.0694237426996247,2.7378841291307245,5.785091290429133,0.3150232078226914,5.258069791712255,0.6276899227956259,19.989884802107447,-0.4123479490961895,-1.147158209777259,-0.3150232078226914,-2.9325336116777203,0.4071736773197421,-19.989884802107447,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0216,19.00798207108343,19.61453114659662,20.10046475015621,20.494641500587893,20.81813156206824,21.086482323004216,21.311302181317465,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_3,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2694404268532245,0.980298102754553,1.853791226886816,2.9975927158596254,4.245167662455209,5.137097839457856,5.620988187268783,5.850070900781802,5.936430034708995,2.5746931212637065,0.8027626825157848,0.0281556258546811,5.322519887704302,3.2798207548315186,2.9435587097015707,1.0695109855604523,2.737428280045426,5.784026019492816,0.3148717560297391,5.25640232828334,0.6277710420644536,19.98457652082192,-0.4112892802519654,-1.144890705254729,-0.3148717560297391,-2.930263328489879,0.4073608128436364,-19.98457652082192,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0216,18.99896862266357,19.60641727073815,20.093189232451948,20.48812156581274,20.812281153227847,21.08122027921217,21.306555408468007,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_4,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2680472693407584,0.979253944336193,1.906592824083504,3.227683456135361,4.631217090909417,5.598326808475081,6.112366228799813,6.353412733652119,6.443918927080707,2.73853407886158,0.8008386344929466,0.0278646394720192,6.274310686594725,3.801997577411954,3.2508132437796684,1.1625296030257908,3.312540830473442,7.057446712463519,0.4375136101578142,6.812649711735955,0.6537426505147802,25.312976355523503,-1.062595271104699,-2.5702677861364656,-0.4375136101578142,-4.562704152367213,0.3474831234043106,-25.312976355523503,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0216,4.764212926533987,5.159371270886533,5.599794303185613,6.073593232409176,6.568829588522407,7.074917789049889,7.583237460701163,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_5,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2680189377976765,0.9792094000528696,1.9065538413762784,3.2276551016070845,4.631196280472928,5.598309632699774,6.112350581339265,6.35339771758814,6.443904134777513,2.738502249328482,0.8007952327293646,0.0278581438356489,6.274303492184376,3.801891605874826,3.2508448597403325,1.1624860504279504,3.312522822824113,7.0574046102192325,0.4375076076080377,6.812583683688415,0.6537458918916597,25.31276626628132,-1.0625532532562638,-2.5701777991515926,-0.4375076076080377,-4.562614114120565,0.3474905665660335,-25.31276626628132,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0216,4.765221296787039,5.16017792093742,5.600427181667156,6.074075754879772,6.569182435243307,7.075159582063915,7.583384967458343,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_6,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0073818416645917,0.279205409556628,1.5702625357370326,3.836241155018164,5.929437648973541,7.230258257363618,7.8874399139002,8.18869169797619,8.300746348082047,3.029197694899416,0.1587764752892453,1.1133599636838298e-05,10.972264219029697,4.611677848504258,6.077533940949783,0.711348590443071,18.076423972372204,40.009272417837,2.0109177103388864,7.989082289661111,1.5964620391797804,66.38211986186103,-18.076423972372204,-40.009272417837,-2.0109177103388864,7.836234344916702,1.5964620391797804,-66.38211986186103,-18.0,-39.8456,-2.0,8.0,1.61,-66.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM0216,4.783234482482593,5.173671810698694,5.610479535111497,6.081480661143258,6.574520623870831,7.07884988147083,7.5857230643822655,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_7,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0074148368744886,0.2796319664398052,1.5714003590851404,3.8381283938374695,5.931810673264388,7.232859704419555,7.890138209012103,8.191430503420307,8.303499617683457,3.030850793836848,0.1590773253077256,1.1266095397951732e-05,10.982786647190345,4.617596696874943,6.08189697706767,0.7125651217727105,18.07724509372384,40.011030961822456,2.01103501338912,7.988964986610882,1.596316583397492,66.3862254686192,-18.07724509372384,-40.011030961822456,-2.01103501338912,7.8344747991632095,1.596316583397492,-66.3862254686192,-18.0,-39.8456,-2.0,8.0,1.61,-66.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM0216,4.78052358777023,5.171194025332197,5.608202661327509,6.079386554305455,6.572602194736818,7.077109277221588,7.5841701119996605,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_8,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1361564962114482,0.4900623410411255,1.27847859896957,2.6326484666425927,4.056799617105826,5.033002703824033,5.552021185147823,5.795593894948783,5.887089451628422,2.1311554082502937,0.386770661648863,0.0186323007470263,6.327394750221452,1.7657610538610826,3.968904896670165,0.2279519497129725,5.65134954312472,12.18102260156544,0.881482285021076,12.671203685280378,0.8581621854186863,33.4592042884281,5.65134954312472,12.18102260156544,0.881482285021076,12.671203685280378,0.8575983029870297,33.4592042884281,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0216,4.763411949187302,5.158600759657374,5.599047011421208,6.072865245176007,6.568119425726255,7.074225656786253,7.582564648121566,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_9,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1361810594781231,0.490156416503981,1.278905220273754,2.633709791134147,4.058389567475282,5.034871029632346,5.554013207644422,5.7976386318326805,5.889153145463123,2.1319934569975327,0.3868373917124833,0.0186385325146718,6.3316320020950165,1.7674997087965736,3.9713850301360143,0.2283606601135736,5.65392399033327,12.186644227309444,0.8819492226209649,12.677383093533455,0.8584163619281037,33.47906741380788,5.65392399033327,12.186644227309444,0.8819492226209649,12.677383093533455,0.8578501795102945,33.47906741380788,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0216,4.766515323925743,5.1614753522317365,5.60173209377486,6.075387398544378,6.570496357527484,7.076468812377394,7.584681081945167,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_10,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1361568419866679,0.4900655796479887,1.278492714741207,2.6326771338450823,4.056837874577266,5.033045117788597,5.552065173677852,5.795638487719632,5.887134250344834,2.131179415346555,0.3867727096831615,0.0186323699545111,6.327531190723718,1.7658072673068044,3.968983243884296,0.2279578917612756,5.6513826966735685,12.181092901262236,0.881485860915333,12.671254460015945,0.8581688920887535,33.45929301841224,5.6513826966735685,12.181092901262236,0.881485860915333,12.671254460015945,0.8576048160948152,33.45929301841224,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0216,4.783091485505494,5.17352763918036,5.610335625217506,6.081338943984809,6.574383677308611,7.078720978444924,7.58560611839416,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_11,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1362109641131586,0.4901980222616172,1.2789328970240517,2.6337127317380373,4.0583751647725474,5.034848687668827,5.553987680983488,5.797611829247301,5.8891258976366085,2.1320045541142183,0.3868788363388479,0.0186467304555425,6.331551601137009,1.7674889561909242,3.9713468548243447,0.22836740588449,5.65389639953144,12.186585871952357,0.8819461591596952,12.67733480861548,0.8584102938119959,33.47898947273806,5.65389639953144,12.186585871952357,0.8819461591596952,12.67733480861548,0.857844178585729,33.47898947273806,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0216,4.780054902133748,5.170723813300895,5.6077308028344826,6.0789156382600815,6.572137370729621,7.076657946636985,7.583741484756832,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_12,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1355965545051961,0.4931605633336068,1.3274497953779532,2.7303436179091323,4.1554028163627175,5.121283252298066,5.6335693687189865,5.8738715741190735,5.9641311772743775,2.218650740584127,0.387622598136887,0.0184501094354649,6.564697561811238,2.062030689464406,3.880931820295664,0.2383559554195555,6.743484602126727,14.494842896444514,1.007582084053949,14.644917509425389,1.09218619474686,36.87397954557438,6.743484602126727,14.494842896444514,1.007582084053949,14.644917509425389,1.0893808236468987,36.87397954557438,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,5.0,11.00276,1.0,7.0,-0.3700000000000001,35.0,RSM0216,4.870360977368332,5.2319360172978016,5.637458905102475,6.077269488452266,6.540965606800807,7.018876558966075,7.5028049112531,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_13,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1355771389454887,0.4931264512410475,1.3274085779941671,2.730304652653306,4.155366821006028,5.121248288904126,5.633534612379561,5.873836837743588,5.96409643608828,2.21861052510973,0.3875912564411649,0.0184449085055668,6.56459862574076,2.06197836774726,3.880876056045143,0.2383423713137158,6.7434956055084765,14.494865438478769,1.00758238676206,14.644924577601696,1.092189747227725,36.8739481398983,6.7434956055084765,14.494865438478769,1.00758238676206,14.644924577601696,1.089384264125763,36.8739481398983,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,5.0,11.00276,1.0,7.0,-0.3700000000000001,35.0,RSM0216,4.876356821946675,5.235636258473057,5.639149659459335,6.077210686615867,6.539401289792013,7.016036612295324,7.498903219438515,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_14,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0701045528902646,0.414068794666128,1.382048076179864,2.983721930417915,4.519302470123407,5.515011390032646,6.031091080798935,6.270638859040946,6.36022142511605,2.40964561183095,0.2996211128791151,0.0047485179824048,7.424123996298795,2.4643291692994844,4.664270451055667,0.5985504615442439,4.434324474523547,9.547193309163214,0.5151305342779007,6.176500573974648,0.7649430754247575,19.97574405744348,-1.140507001762172,-2.255852559570958,-0.1491508150821923,-6.176500573974648,-0.7649430754247575,-3.274103170159775,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0216,4.870437480098974,5.232002680417376,5.6375172778187626,6.077320756460381,6.5410107263595725,7.01891632903528,7.502840013760757,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_15,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0690939711194876,0.4070884457628397,1.4273747983318643,3.1286026641766096,4.716015059261977,5.725300677974636,6.24333805875081,6.48274618281397,6.5721149296904615,2.5238565019206165,0.2928192920724267,0.004709707078083,7.780414289127302,2.8402024921856035,4.751019508510763,0.6148914231019088,5.5033151738074615,11.852792924368568,0.6842932154738812,8.609141555963241,0.924518694279506,25.33025032291244,-2.223826854620164,-4.593171825979156,-0.3199056244530703,-8.609141555963241,-0.924518694279506,-9.81670907453086,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0216,4.876371030715814,5.235647936049209,5.639159416744808,6.0772189587639485,6.539408385362455,7.016042749060495,7.498908551118633,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_16,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.070196108953447,0.4138315316861541,1.37918437918789,2.9755797785885245,4.508644981883283,5.5042368272734645,6.020679045154267,6.26048595394635,6.350179656820447,2.403174957464372,0.2995376432103859,0.0047652115615178,7.402127490597392,2.4468248977291323,4.654090682540259,0.5942563501048521,4.416205153265023,9.506806379623251,0.5124720077679477,6.15793331032905,0.7639867806203096,19.904366161636293,-1.151215746231795,-2.279280717574187,-0.1496954069864778,-6.15793331032905,-0.7639867806203096,-3.2714933547685967,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0216,10.008389561662868,10.492994017494452,10.994910493835883,11.510787770980116,12.035161955969471,12.561908784152386,13.08514650890254,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_17,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0701717238713165,0.4140405650380671,1.3813679382760158,2.9819365969828424,4.516793645629247,5.512220353368467,6.028204907387964,6.267719366419136,6.357291159363244,2.4082238313054227,0.2996483559521455,0.0047593308595271,7.416603322214034,2.459263589790958,4.662025450460234,0.5980777163329118,4.427902168549457,9.53317677120304,0.5140411998088084,6.162537173919512,0.764247266450835,19.94471583373152,-1.1357096550258097,-2.245433103599828,-0.1482420316395143,-6.162537173919512,-0.764247266450835,-3.2351972669597804,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0216,10.00882391387558,10.493327704181011,10.995173595650304,11.510999845091698,12.03533594489386,12.56205346423836,13.08526801421728,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_18,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0690894253081486,0.4070041704785215,1.427495449172859,3.129184545941369,4.716897454126682,5.7263200267677234,6.244413478924948,6.483844414232916,6.57322118257704,2.5242910424249274,0.2927518965731505,0.0047100208856357,7.785814210425989,2.8417048460502645,4.755204759511753,0.6151525317574447,5.5044025472295415,11.854730982821764,0.6847060539228301,8.622581124485286,0.9251508549719828,25.34404056310749,-2.2374442876692235,-4.622846981314177,-0.3217106917494615,-8.622581124485286,-0.9251508549719828,-9.880545535422712,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0216,10.049409609603652,10.522381289255396,11.015155208708444,11.523884337875051,12.042704806974175,12.56516683959108,13.08512392351973,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_19,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0701672516712801,0.4138950305700224,1.379311048837094,2.975948745673543,4.50924454416513,5.504916594064888,6.021375962823041,6.261185259691779,6.350878965397557,2.403442080123141,0.2995727126127135,0.0047594692910504,7.407542380098162,2.448957247084279,4.655470951456689,0.5933694628139062,4.411812247467141,9.497492596747772,0.511988993345307,6.15043201823928,0.7630146158167989,19.88309922872926,-1.14786923455747,-2.2722832792370147,-0.1493286585775656,-6.15043201823928,-0.7630146158167989,-3.263018588571281,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0216,10.051947209835962,10.52452352948478,11.01696395014789,11.52541205480081,12.043996273737024,12.566260514845412,13.0860530209652,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_20,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0690943722109721,0.4070046711452674,1.4274791306019363,3.1291656964139256,4.716885180488999,5.726313634577264,6.244410374216835,6.483842871325435,6.573220228410292,2.52427132441786,0.292755404456577,0.0047107636861817,7.785720276634495,2.8416703958482263,4.755164213717807,0.6151494567590101,5.504371229921457,11.85466207831575,0.6846993194717007,8.622489084946263,0.9251488480369816,25.34387765660839,-2.2374034904231164,-4.622757091596022,-0.3217029039718851,-8.622489084946263,-0.9251488480369816,-9.88020016391711,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0216,10.00856742371452,10.493188403360003,10.99510879333118,11.51098143251332,12.035345502874032,12.562079023497867,13.085301896501118,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_21,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0690792569738087,0.4070599718927382,1.4273645208361383,3.128619541157465,4.716040969749421,5.725326692232815,6.243362914956524,6.482770275746072,6.572138704049542,2.523866052848495,0.2927917750197126,0.0047076680210963,7.780485139473153,2.8402734870513324,4.751016879162352,0.6149006009344095,5.503387202695783,11.852949429199926,0.6843041328189035,8.609278883767672,0.9245280307441696,25.3305901228826,-2.2238683668013133,-4.593260777671223,-0.3199131510528513,-8.609278883767672,-0.9245280307441696,-9.817014812628818,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0216,10.008205358164274,10.492721509891096,10.994594365269592,11.510457007795434,12.034834741429442,12.561595933314226,13.084853883299758,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_22,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0701109039223039,0.4140811762991956,1.382057662599466,2.983729878696851,4.519314606340461,5.5150280030752015,6.031110366699832,6.270659449405019,6.360242512536428,2.409653274587114,0.2996328973495769,0.0047494092197567,7.424169740394915,2.464338141772927,4.664306566647645,0.5985544076422269,4.4342049086300594,9.546933409488654,0.5151110261739569,6.17624329065722,0.7649283163212874,19.975163164044613,-1.1404128399715283,-2.2556488955475222,-0.1491341296563423,-6.17624329065722,-0.7649283163212874,-3.2734172900158645,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0216,10.049562992695948,10.522522568315717,11.015284415814364,11.524001711154044,12.042810868245246,12.565262384520487,13.085209967798011,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_23,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0701965737458617,0.4138398557885888,1.379200625425724,2.9755902178554834,4.508648941239011,5.504238165310595,6.020679586245374,6.260486254499322,6.350179888217719,2.403188129701517,0.2995433245083995,0.0047652128057955,7.4021531039647295,2.4468479547436885,4.654095895947749,0.5942572538954656,4.416225208174284,9.506857367120558,0.512480127662461,6.157982201531466,0.7639767984993785,19.90443309200141,-1.1511857848692748,-2.2792209868293325,-0.14969796951746,-6.157982201531466,-0.7639767984993785,-3.2718003092958297,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0216,10.052159497459671,10.524738074613271,11.017175218429417,11.525616513757631,12.044191957770565,12.56644665319154,13.086229723372917,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_24,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0701670619552555,0.4140350165787202,1.3813606576084674,2.981912417221772,4.516753024766447,5.512170444860347,6.028150653553108,6.2676632026921295,6.357234298578639,2.4082061456977164,0.2996420947514832,0.0047586551074706,7.416495584159792,2.459202207743344,4.661964445061874,0.5980523818845968,4.428017323183407,9.53343000588358,0.5140569978170572,6.162678201593104,0.7642586446044063,19.945198827492334,-1.1356856405463538,-2.2453782673456377,-0.1482423664129401,-6.162678201593104,-0.7642586446044063,-3.235278920557572,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0216,9.775458573980286,10.25957085800116,10.761654371724568,11.278432404454158,11.804431852038311,12.333493009526311,12.859688688573504,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0216_25,RSM0216.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0701621662040127,0.4138775061935507,1.3792884934425105,2.975933670682608,4.50923797680902,5.504914924799353,6.021376561378995,6.2611868439119736,6.350880907137568,2.403423834535663,0.2995580696177385,0.0047588547034354,7.407567539108299,2.448899481751684,4.6555004077315445,0.5933346101297119,4.411678899450261,9.49720052439304,0.5119753091646082,6.150354981945669,0.7629978311226159,19.882585521108425,-1.1479654352359352,-2.272499346076467,-0.1493404798074608,-6.150354981945669,-0.7629978311226159,-3.2634670929139906,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0216,9.776681041195264,10.258285800955846,10.758756664996104,11.274529713164398,11.799936794090842,12.328684883137312,12.85475522943266,[Fe].[O-]C=Opcu.cat0,"linker [O-]C=O, nodes [Fe], topology pcu"
RSM0104_0,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0009880134857574,0.0865416872748626,0.6242632086307717,1.6627737905405715,2.731295768609218,3.451680244139937,3.831802105953118,4.009614803714052,4.076320748576952,1.279972242320875,0.0438220620757178,2.914265418354127e-07,1.792585529673952,0.6570740891625265,1.262455606966084,0.1468907625906905,42.64550612327548,101.82080401392912,3.129134686408632,3.1623794864453623,0.8148848410531363,73.8118974322268,-42.64550612327548,-101.82080401392912,-3.129134686408632,0.321416385455446,0.8148848410531363,-73.8118974322268,-41.0,-98.4043,-3.0,3.0,1.35,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM0104,18.414247136848303,18.59107403158394,18.730142647793564,18.841241882092007,18.93125465099533,19.005110783630897,19.066403286214538,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_1,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0005768911749186,0.0921392104933388,0.979085626762968,3.036728646001216,5.136162976756924,6.492791270366144,7.189425667968274,7.510979698787709,7.630922633031379,2.2677253339524217,0.0416582877586864,7.929136965580174e-08,9.217036077062678,2.538911543976032,5.830951314018522,0.2257625722310607,41.83977842589654,100.22285038499106,3.139184800834574,4.1088087857874935,1.2307966530633014,78.54404392893747,-41.83977842589654,-100.22285038499106,-3.139184800834574,1.0467431674268737,1.2307966530633014,-78.54404392893747,-41.0,-98.4043,-3.0,3.0,1.35,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM0104,19.06864208017677,19.21602009610933,19.332031989809536,19.42483801567372,19.50014553707487,19.56203237178628,19.61346836957364,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_2,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0010010501704667,0.0868430107296493,0.6250722764784535,1.6658796776130012,2.739560083045159,3.464820965565334,3.847908863607721,4.027194583446836,4.094466637264309,1.2819139408842457,0.0440241028178375,3.04517657229828e-07,1.8129915724485373,0.6634476941385234,1.269047534542657,0.1464247709294759,42.67712745286475,101.89048809299445,3.135556432668858,3.220662604499256,0.8128760567008735,74.10331302249628,-42.67712745286475,-101.89048809299445,-3.135556432668858,0.2384210857843907,0.8128760567008735,-74.10331302249628,-41.0,-98.4043,-3.0,3.0,1.35,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM0104,20.06036419761438,20.2369892878068,20.37600735479647,20.4871363713176,20.57721986698244,20.651165713619875,20.71255470656546,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_3,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0005846531815573,0.0919965094411292,0.9747871341564792,3.024610956361568,5.117687347194595,6.470594930624129,7.1653797927210645,7.486089008055733,7.6057179304889235,2.258263435039974,0.0416738458821786,8.285998327536961e-08,9.111025288849694,2.526385636868696,5.760028282037232,0.2262342091734223,41.80971780663206,100.15782867809692,3.1342758184318296,4.070143651413561,1.2352174934571365,78.35071825706781,-41.80971780663206,-100.15782867809692,-3.1342758184318296,1.1160756459133103,1.2352174934571365,-78.35071825706781,-41.0,-98.4043,-3.0,3.0,1.35,-68.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM0104,20.129935742013327,20.27925888410594,20.39677015963113,20.49075367164301,20.56700122794412,20.62964957008116,20.681710531685766,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_4,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1806446931417741,0.6541682561902966,1.813577105967618,3.733245836396008,5.566590425862168,6.743666671344148,7.3496480194452385,7.629969664655716,7.73464568141051,3.044415333664306,0.510215676096587,0.029835816078801,12.246181815698476,4.028133351826116,7.378294543604171,0.924592959026239,4.822637341855202,10.723595711662586,0.7153772263315277,8.702342265449454,0.478041622723744,27.806532020988907,4.822637341855202,10.723595711662586,0.7153772263315277,8.702342265449454,0.4503919294178745,27.806532020988907,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,3.5427309498397115,4.077372412437509,4.62784152221385,5.185625787178477,5.743228120295343,6.2944785798788025,6.834621867424708,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_5,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1883665573986055,0.6474577545040728,1.8226928591409748,3.868649938380004,5.843354106685459,7.112122933515162,7.764894217157908,8.066714114270699,8.179391145381873,3.129567221931556,0.5092231259101726,0.0327539753563702,13.758760605503603,4.380298695292908,8.010673002011009,0.4699432205460407,3.558464927355309,7.958040173102932,0.5078473343176984,5.929112759502745,0.325802419769208,19.44911960785649,3.558464927355309,7.958040173102932,0.5078473343176984,5.929112759502745,0.3004204571332958,19.44911960785649,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,4.479874270467355,5.0930132608679335,5.697902411059497,6.289118655317797,6.862360893520347,7.414349931469232,7.942743170475943,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_6,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1489047243366852,0.5903872477724542,1.7756096444120466,3.830954765608735,5.766550187975853,6.981610650844446,7.598464417406771,7.881865415893031,7.98738012817175,3.093066405103476,0.45306795048341,0.0206853317216062,15.113253504508409,4.271175499128678,8.847661714365959,0.3451866910640347,4.636311256997614,10.352972996745804,0.7371628753879998,8.796065595464237,0.3629536078393288,30.157393656809298,4.636311256997614,10.352972996745804,0.7371628753879998,8.796065595464237,0.3368903778697681,30.157393656809298,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,2.63072652518726,3.056973574586547,3.524300458632017,4.022960330832232,4.542676965020176,5.073845914316852,5.608232177901204,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_7,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403611535437157,0.5834632044066212,1.7157395397333042,3.566371410818168,5.34897731488048,6.5064624296975975,7.106021764063205,7.384145114463988,7.488119803092383,2.902176744837421,0.44436130667439,0.0182883659954242,14.221077862732711,3.705242566937878,8.468269898448453,0.2138910806667974,5.561696531474344,12.713491203460778,0.776884544784952,7.657598451958043,0.2384392995846418,30.692609915370834,5.561696531474344,12.713491203460778,0.776884544784952,7.657598451958043,0.176651683017703,30.692609915370834,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,2.550110860392308,2.9754354651672177,3.443727031299457,3.944650017887926,4.4676506167592445,5.003053765711147,5.542665573247478,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_8,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1393054542366301,0.5864869947912444,1.7481303815721334,3.629418796245553,5.417750592065766,6.570506862903345,7.1656932335241885,7.441411134522659,7.544429814345792,2.957617822895984,0.4449406865094948,0.0180326419958931,14.458376738740396,3.8758227315309033,8.55611738193374,0.2456222553185573,5.608348580456564,12.83446458455368,0.7736285854710655,7.521118242368285,0.2355181662783307,30.38851710254857,5.608348580456564,12.83446458455368,0.7736285854710655,7.521118242368285,0.1713742809504786,30.38851710254857,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,2.271465205762962,2.680703979742654,3.134070526298184,3.621904307695523,4.134016068962735,4.660842631967107,5.19412379667932,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_9,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1498348520444362,0.5950348794315844,1.8020547493427588,3.887769840640827,5.838456460269986,7.055093455043824,7.670262201303825,7.952317093568507,8.057238107793035,3.140492359373106,0.4558432005954174,0.0209888673344011,15.3590862969598,4.398245114733428,8.931036707364187,0.3589744465526372,4.90189227746911,10.994355657354154,0.7558126527859805,8.746386899185655,0.3574804509906762,30.599430908244383,4.90189227746911,10.994355657354154,0.7558126527859805,8.746386899185655,0.3244503519821067,30.599430908244383,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,2.408459069932698,2.834844032015633,3.302483031873946,3.8014144539042047,4.321222389007442,4.852219396815638,5.386128938160852,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_10,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1858618718347177,0.6393940716535991,1.7984594482633631,3.838168993781944,5.812889651706736,7.081425874502397,7.733804625672565,8.035371935571693,8.147942872710425,3.099810673851039,0.5034161463143747,0.0319531497116489,13.580953519452988,4.281086073635453,7.915006892584804,0.448440568776369,3.601103730104793,8.049443154153813,0.5209796447525071,6.112750617070811,0.3265805351345681,20.119246753205577,3.601103730104793,8.049443154153813,0.5209796447525071,6.112750617070811,0.3017376810687576,20.119246753205577,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,4.0659961021534325,4.6737074806048255,5.280119889553987,5.877827042491683,6.461016037851221,7.025270907639931,7.56739985081069,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_11,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1757387582444843,0.6384026499702973,1.7671581283650264,3.654980990627948,5.47738907297449,6.655504783255671,7.264117299030006,7.5460971430290975,7.65146096437168,2.974907388562986,0.498301427126067,0.0283472999652668,11.984370109209776,3.796284770357546,7.268518651057585,0.8304700217487236,5.032065376137301,11.231785164231908,0.7279463717294343,8.622881103891197,0.47339959375382,28.028674386455474,5.032065376137301,11.231785164231908,0.7279463717294343,8.622881103891197,0.4399082650625961,28.028674386455474,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,3.1937875630784056,3.7122098085930855,4.25206251486293,4.804268863332713,5.360689472760849,5.91450805772563,6.460366869585084,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_12,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1827211445838147,0.6612500542039366,1.828606431189577,3.757075381558688,5.600264389888966,6.784897886090517,7.395142161111464,7.677517770176991,7.782973725299623,3.065059387450626,0.5157671766834292,0.0304262033901878,12.309138075461156,4.098895443425113,7.424279327912357,0.972965337763661,4.665450957813459,10.346374390127217,0.7036365801917129,8.710483782318883,0.4795087889195372,27.51136564138089,4.665450957813459,10.346374390127217,0.7036365801917129,8.710483782318883,0.455747891664113,27.51136564138089,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,3.777462102597872,4.316770567455806,4.869216111728486,5.426618389618047,5.981867254760144,6.529182650864665,7.064166941943914,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_13,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1910581752326069,0.6526517958707171,1.83180335568251,3.8835998676725136,5.862859096491374,7.134012679936207,7.787851541705185,8.090129072375964,8.20297116162681,3.1425378313828727,0.5138240110048355,0.0336441022293265,13.79774372758155,4.42453825282362,8.016864641538703,0.4784468878149607,3.6388714793809593,8.140106172456017,0.5182218602811456,6.037290175065035,0.3319477454489254,19.82852900934048,3.6388714793809593,8.140106172456017,0.5182218602811456,6.037290175065035,0.3057374026504491,19.82852900934048,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,4.735868860587119,5.348521660477504,5.950207364002276,6.536247062689348,7.102942786632361,7.64749413147739,8.167929257069085,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_14,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.149134251883739,0.5908812456594978,1.780991295222676,3.84237118438139,5.780856381861545,6.996504944853226,7.613298737583229,7.896591297460366,8.002052636821816,3.1027159845930306,0.453263944692053,0.0207855301637982,15.22821314054548,4.308245691650878,8.894415965683653,0.341574467738498,4.79349219666934,10.735955248179296,0.7452574583410153,8.710894094272547,0.3592033417923769,30.245218869649285,4.79349219666934,10.735955248179296,0.7452574583410153,8.710894094272547,0.3285334752555032,30.245218869649285,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,3.4737256750261483,3.9114246974067415,4.389247427335396,4.897099166466417,5.424547189786016,5.96197377198597,6.501225110368647,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_15,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1371442620998994,0.5791972494205979,1.7166582085800004,3.5716583906607107,5.356586826437601,6.515549896175807,7.115941856290553,7.394471870457918,7.498602169405266,2.9063260265212665,0.4397876886065683,0.0174584189373285,14.298146076531848,3.7359294014297264,8.507237675360289,0.2168374179367695,5.153652130252855,11.736613469092156,0.7486820168589237,7.696763575779494,0.2374339699856316,30.08582521820513,5.153652130252855,11.736613469092156,0.7486820168589237,7.696763575779494,0.1857387996454603,30.08582521820513,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,3.26777985177264,3.685148518803694,4.145917353080043,4.640410519976322,5.158529721129944,5.690862742368129,6.229319342315093,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_16,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404311387159711,0.5864688104083802,1.7368678663298929,3.602359680210354,5.382579542018437,6.532915780876801,7.1275369493321055,7.403131918266145,7.506125926784639,2.935299749683636,0.4457412144508209,0.0183343452891999,14.364807820606783,3.808872704698454,8.520914731348725,0.23375250733719,5.752305607512067,13.178511859396089,0.7842624311087153,7.519282967098562,0.235787996754387,30.643964229332973,5.752305607512067,13.178511859396089,0.7842624311087153,7.519282967098562,0.1681811654151385,30.643964229332973,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,3.394855232597789,3.811157115353887,4.271135695284377,4.764750104755837,5.281567204478822,5.811912176954285,6.347517061158175,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_17,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1504337989692086,0.5941339068971533,1.7897314211269937,3.862197002321645,5.809237864361945,7.027294490518506,7.644177214414645,7.927233428619968,8.032560927871502,3.118460710878383,0.4558525378428546,0.0211585669978581,15.261220892885364,4.331240677067783,8.907887097220657,0.3542779548145105,4.794755135354234,10.740220714027776,0.7484055671415077,8.74477212402687,0.3547540167345392,30.4518415715938,4.794755135354234,10.740220714027776,0.7484055671415077,8.74477212402687,0.3241956035076478,30.4518415715938,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,3.5741480166372392,4.00563341591572,4.477894512948976,4.980758087300744,5.503674615147702,6.036902653416904,6.572174633793438,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_18,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1790641035379594,0.6330181407989564,1.7993057416218703,3.839741757837906,5.810327142786237,7.075611011707891,7.72630568514068,8.027104273074785,8.1393905466886,3.102106779708162,0.4960675197411655,0.0295509952931142,13.64117370958443,4.2977840120491,7.943090535538769,0.4462812022853193,3.5039694061687285,7.8240522572374305,0.5127963429861341,6.066712952134671,0.3203736294183456,19.91552417610887,3.5039694061687285,7.8240522572374305,0.5127963429861341,6.066712952134671,0.2972792214494987,19.91552417610887,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,3.6556115356678185,4.232030503437397,4.817131570747113,5.402534134828803,5.981366001020174,6.548267643108115,7.099321597611716,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_19,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1761806054771471,0.637811560840569,1.766562540406844,3.6552617604128974,5.474921976712573,6.649717261977225,7.256246698703802,7.537188247390912,7.642153018795598,2.9752943880127924,0.49809907428196,0.0285089790612082,12.027472235217363,3.793679075452663,7.271765139456561,0.808410397161884,5.054208558187204,11.286620372648937,0.7274387158188096,8.584766777471973,0.4736468420188208,27.938618823646365,5.054208558187204,11.286620372648937,0.7274387158188096,8.584766777471973,0.4393125694098352,27.938618823646365,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0104,3.2382622523542,3.771449300275842,4.324959335332856,4.889207069421208,5.455874302373333,6.018161251348312,6.570832436820318,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_20,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0961290797022409,0.3685883546667516,0.8852621304359883,1.9036130141838887,3.1335980229301783,4.028187036807818,4.514873741361057,4.745378994843258,4.832278832761805,1.5038491820210098,0.2944957700652948,0.0095270881562689,3.1051594639960483,0.9411097593633424,1.982877344439948,0.2698584119453691,11.596901113577765,27.199750770487427,1.082951956590988,6.300306551917435,0.4810008574824975,35.58163121054572,7.311230085662369,17.768908818666148,0.2258177510079089,-5.7149512590618565,-0.1941767639832635,-5.916184504970733,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0104,16.45023012573728,16.979065174759874,17.406895841360285,17.761504128854796,18.06321713432905,18.326841809275184,18.563072665065256,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_21,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0995693665118614,0.3755171574594074,0.9118871047351724,1.987734608791095,3.2838421521938312,4.222936580620909,4.73274577729296,4.97396041530377,5.064859229538532,1.565253542989449,0.3003938500035085,0.0102196850053072,3.5220508044643783,1.0394351867275398,2.250386230345789,0.2823181230271189,11.856492495745636,27.819655751233544,1.1026089914433288,6.330044135266958,0.4857487171503136,36.05091263588987,7.555708968199208,18.3555579581242,0.2424522859340437,-5.74870055460533,-0.2008903626261159,-5.562857015336093,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0104,17.02273013567198,17.47894996141863,17.844433427500345,18.14517370401232,18.39988916778779,18.62209583783148,18.821509738153352,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_22,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1000080993545291,0.3694063029284011,0.8409648565119754,1.759529399372489,2.875836681371762,3.690320141937657,4.134197138713882,4.344608708305735,4.4239632136105,1.3980244210872246,0.2980282124248851,0.0103212370914855,2.5172397907403967,0.8022072135310104,1.6413443682926532,0.265191501941386,9.659683776787094,22.72891660994105,0.7876411047582967,3.4328549962002426,0.4522426174719045,24.50987474522716,7.655752862947824,18.31916242963022,0.3868549219904428,-2.560362730947682,-0.0247214074981494,2.1120351944109355,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0104,16.831289299627556,17.298298046541916,17.673801546410203,17.983313881515787,18.245411113707025,18.473638074585203,18.67782399187585,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_23,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1050706500532642,0.3772622239239011,0.850600976775632,1.7762538386418163,2.9023406640035505,3.7239316643061833,4.171569458099015,4.383727327184404,4.463733828583453,1.411751311301992,0.305689749559467,0.0113878038544474,2.5505686629790465,0.8296275668038477,1.6470358591513508,0.2683519254552696,10.386288719812368,24.46336537545978,0.8436067400684596,3.5314846369289614,0.4651902809698407,25.86703282710168,8.326936008236096,19.931652647295184,0.4317361977532047,-2.673061038383794,-0.0445627176827087,3.0407404301893783,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0104,17.664212891845988,18.005496245973887,18.27844704919698,18.50294546125803,18.693380256846343,18.86023778808983,19.011137518981364,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_24,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3220525761257706,1.2878388682312645,3.0044459910591232,5.049588370629747,6.741256969349644,7.778508523200672,8.304666580063126,8.546784012007267,8.637017513221087,4.367215714783344,1.010222623013693,0.0400006796330436,15.55031595442497,10.27390937104803,7.440321723695416,2.628108836009226,3.253886400955288,7.11998991039578,0.6113190329002166,8.14443866415702,0.3106343673776364,28.49581266278077,-2.8593039280468773,-6.332403294470592,-0.6113190329002166,-7.749856191248607,-0.1172889556525147,-28.49581266278077,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0104,9.523041060091431,10.11504268551722,10.721808584387544,11.33187791065954,11.934766818261258,12.522027476033031,13.087483393500989,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_25,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3219633656818528,1.2878825928013695,3.0137626137946114,5.070466526125582,6.768077731882484,7.808145325934345,8.335649816155827,8.578382727269569,8.668845844163773,4.384834184185954,1.009840995366578,0.040044253387761,15.628634446363693,10.31948009937785,7.468821585275238,2.637376661149593,3.259120247751012,7.131906830531042,0.6127564785678195,8.161172076293568,0.3101803164055747,28.55073081011145,-2.868444537927183,-6.352118113722679,-0.6127564785678195,-7.770496366469739,-0.1187492185918984,-28.55073081011145,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0104,8.585621745225417,9.17733224010586,9.784679141493632,10.39579825173704,10.999950609318413,11.588533689014907,12.155281873883466,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_26,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0993997411505466,0.37437844131455,0.890223682399652,1.9058969494715168,3.135003780953806,4.029864830801177,4.516910711830355,4.7476280845531535,4.834614267877288,1.5069171804980948,0.2999600984033211,0.0101796036905516,3.0871091033499742,0.941624077791432,1.9725772843338176,0.2791775093759855,11.53545396313651,27.059230994569056,1.0728168781389622,6.193360401976235,0.4796364411611646,35.183998403040874,7.334454831561874,17.814713953584228,0.2326170518240351,-5.599526626759815,-0.1886578913051186,-5.594162657212936,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0104,16.974203349338115,17.430501072484365,17.796605666282296,18.098208826174066,18.353873213194543,18.57703601448086,18.77737509743498,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_27,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1009294428098302,0.3758490329634248,0.9024106890128012,1.9635855527927435,3.24812035486388,4.18058532412626,4.687168205648658,4.926928219172709,5.0172896684061286,1.5459938016224102,0.3015417628317281,0.0105063194467466,3.432449189381707,1.0085835491436554,2.191010727693956,0.27470257273242,11.7751921461862,27.628015561670875,1.0944042661469038,6.2825344677282455,0.4839903793096577,35.79413753602684,7.509848769545219,18.241905663516818,0.2413355908187075,-5.697851549515376,-0.1974957493853522,-5.517367444806324,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0104,17.200492873678712,17.624787930424155,17.963642238696476,18.241970119378824,18.477606351088408,18.683379319409458,18.86848389864557,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_28,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0995373442772823,0.3683907512649396,0.8414121559479388,1.765845635679349,2.887150303777807,3.704020024162828,4.1488621241336485,4.359660825753911,4.439150425051918,1.4021726870545967,0.2971207193478913,0.0102265456251348,2.506848946793665,0.8101337614299462,1.6281946997892618,0.2672277354373245,9.683960491012153,22.792156073037336,0.7905971360652484,3.4250297339102764,0.4462404159796799,24.514417288615416,7.676602182995858,18.374859733615462,0.389125474461989,-2.580583607283587,-0.032461813932602,2.225961883335299,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0104,16.726031745351225,17.216595634424458,17.611933000900606,17.93829204900623,18.214856145113973,18.45564423716116,18.670844196342387,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_29,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0996022352395125,0.3677241734603512,0.8435685303346594,1.7858761668246432,2.934873392791785,3.772763775107496,4.22900761955117,4.445171238430901,4.526675958159308,1.4141978197655436,0.2966854803933959,0.0102456066220372,2.611019670986901,0.8462363341960124,1.6745503417107948,0.2653073554860451,10.228677523704174,24.07951694107936,0.8377870835237521,3.6274253735851314,0.4631112183759855,25.909803331207943,8.086845197049026,19.36630353099372,0.4094206181927223,-2.7728104768625697,-0.0443499189819305,2.360237907698807,42.0,100.4003,3.0,1.0,0.4900000000000002,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0104,16.884315524023588,17.362425024630987,17.74694469454469,18.06399619499536,18.332577492020565,18.566517195259514,18.77582930706477,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_30,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3195916559020247,1.2858405273518063,3.010106352769809,5.063183179108941,6.758504127306495,7.796863455960662,8.32328363152872,8.565456741823885,8.655700723953364,4.378610361870934,1.0075858696333762,0.0392926735062109,15.64906950218466,10.323976147369924,7.479949721614373,2.639367970455546,3.2523742135157554,7.116368629340576,0.6107294958378591,8.138210180218627,0.311131423363216,28.476460984335954,-2.854920744862835,-6.323051505909346,-0.6107294958378591,-7.740756711565706,-0.1163792237232848,-28.476460984335954,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0104,10.700208580174944,11.2896235307686,11.893704815341636,12.501137527697551,13.101539528396003,13.68652785447728,14.249962019991951,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_31,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3232775929414534,1.2888290565563554,3.011221935957458,5.059073400521525,6.749747922371371,7.786684075151207,8.31296639446948,8.555218447621055,8.645515259915491,4.376595655649826,1.0109932363167755,0.0404982312929457,15.57587112010622,10.307798512181622,7.428367541700246,2.638117872226619,3.2654692203504525,7.146126992226932,0.6142696511473161,8.179626429528982,0.3101136505623576,28.612739124698585,-2.877227291122709,-6.371196101488357,-0.6142696511473161,-7.7913845003012385,-0.1198751052407633,-28.612739124698585,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0104,10.658409820220731,11.26102822945588,11.877816590001212,12.496719239099942,13.107015724406995,13.700242479430464,14.2703281136439,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_32,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0962647941249195,0.379303258896932,0.9989583272303332,2.290800037201141,3.8053136253664217,4.878949253583893,5.455506020561972,5.726982010034787,5.829079686696507,1.7865897579528738,0.2997181060879001,0.0095271751793025,4.845489904459436,1.567349019057228,3.125439464370784,0.2784537174827284,8.02589569349506,18.555952854917244,0.78873391428414,6.392524534295768,0.6825745025578722,27.26189372801782,2.4796830617426457,6.658537962254412,-0.0200330297545517,-6.392524534295768,-0.6825745025578722,-5.088784033529856,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0104,18.120703388524745,18.535962391681164,18.869749999464545,19.145174583412395,19.378846779688043,19.5827135876229,19.76532152860417,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_33,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.10019007635544,0.3964406389258388,1.0499203771528411,2.403597489013698,3.980389731755219,5.09315464701932,5.689305450178741,5.969697254258413,6.0750989745185935,1.876378400781978,0.3124909756327235,0.0102204872714767,5.298155423247103,1.737409806171107,3.3956291689247657,0.3048403812208979,7.931103772545757,18.331308070459656,0.7850360758349818,6.41354248720213,0.6730642399911836,27.13085248385596,2.382181568517557,6.421658385335388,-0.0304054411230318,-6.41354248720213,-0.6730642399911836,-5.486808194464588,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0104,18.61008114923119,18.95548997248286,19.23128543326992,19.45788027277105,19.64981991960556,19.817525339500296,19.9684383889355,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_34,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0999375945002945,0.3720790228771258,0.9259670400001316,2.0797736413178343,3.452407212418221,4.437250187776844,4.969690557424451,5.221197468220851,5.315913802230539,1.6276094747364538,0.2982935779196163,0.0103212000974061,4.043233555037097,1.3192322638658158,2.575789352675859,0.3197186504722584,7.497988015427866,17.41496031492514,0.6674328070330863,4.725324354737362,0.6447463796462601,22.968067648329203,3.2309529779644888,8.33562329961338,0.1176116558980617,-4.725324354737362,-0.6447463796462601,0.9752216029282156,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0104,17.944033948662394,18.36626709601017,18.705671365778944,18.98504849420144,19.22098565001709,19.42558433653696,19.60764684608588,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_35,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1049860326838835,0.37723269899916,0.9220144915369568,2.094058789545681,3.502555348067942,4.514324604462618,5.0612820110296655,5.3196141418023295,5.416894493250138,1.6319528364352958,0.3046935438857883,0.0113877669131878,4.073375512971237,1.3205281959340756,2.578308795863628,0.307570470875151,7.2872628222520435,16.918301819913452,0.6479549968263896,4.616557988711656,0.6341170087067164,22.39322119370889,3.100741601432204,8.013998270563418,0.1121428878334333,-4.616557988711656,-0.6341170087067164,0.960736833990634,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0104,15.619674774899725,15.893521829375333,16.113992388829743,16.296295932481765,16.45160163917676,16.588137056333665,16.711926946279593,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_36,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3755947854311723,1.1770938411735257,2.5480893527269965,4.510512986449221,6.3492108928181,7.529011908161817,8.136308794962698,8.41717654390761,8.522042477908952,3.816301170565629,0.9625432142192738,0.0631140047615073,13.608737170225734,7.611419626871465,6.989337257120142,1.819762287383196,12.096917014305838,28.09899360964998,1.2216028815553983,9.450741981615248,0.8703114118876494,40.25097372915298,4.328209485387223,11.323032624831622,-0.0197643571876134,-9.450741981615248,-0.8703114118876494,-9.4037158205675,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0104,13.78860886645197,14.519440898609256,15.183296994501584,15.787639857633174,16.338379539961707,16.840509632780268,17.298454449995013,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_37,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3689683417502863,1.169088804692101,2.52584335898575,4.462649994830441,6.287057650337029,7.4614561614857475,8.066784234506017,8.346893376884074,8.4514983914826,3.776305736609917,0.9548027790163784,0.0608273209253244,13.354904645986988,7.444402369151646,6.885400633988163,1.7798832838588514,12.264057964553688,28.50058436845393,1.2344467918799444,9.468771370410842,0.8747032048603748,40.557024345962255,4.494177457913361,11.720938216499103,-0.0082344438945503,-9.468771370410842,-0.8747032048603748,-9.15022508501753,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0104,13.555011100855909,14.282674795546324,14.944153240027324,15.546929773323017,16.09686349419167,16.598860087005814,17.057242481225856,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_38,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0995887708929536,0.385406225272723,1.0013246438493826,2.288933910799019,3.804790535675704,4.881217184077018,5.459648479455967,5.732077173729131,5.834543471957296,1.7854829063084332,0.3055763155252579,0.0101797596792057,4.8131037549257005,1.5602616684675663,3.110647611482704,0.2789797669115254,7.845518474338609,18.12165423073608,0.775223804325349,6.381679496069871,0.6782626134052364,26.9502825942177,2.292894620104383,6.211600492910181,-0.0333886998539105,-6.381679496069871,-0.6782626134052364,-5.394217572952689,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0104,18.6017128607911,18.93841793671672,19.20781020815684,19.42956287094271,19.61774835959122,19.782476398022773,19.930978716503805,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_39,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1014139679576302,0.3957306749973002,1.0405183490815564,2.373632193095269,3.929387405837628,5.029182691891821,5.618907159304396,5.896387800494054,6.000712574941707,1.8542394362843708,0.3126531398906436,0.0105068156878221,5.150742634804304,1.7038579554959292,3.294506595653649,0.3031525744583285,8.121202374932498,18.78746832267938,0.7969579325705318,6.402655263490703,0.6817133195808192,27.42620228641652,2.5840438654626,6.906245399606263,-0.0136472320538175,-6.402655263490703,-0.6817133195808192,-4.998004298557452,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0104,18.73529291534415,19.057300784042027,19.31399531798324,19.524770322992147,19.703412695607604,19.85978784956441,20.00093383795321,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_40,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0994632546918692,0.3701949237533664,0.920741579458493,2.0794271596492475,3.463900321937798,4.458321877783503,4.99607589777609,5.250108601454904,5.345777784401434,1.624329921098558,0.2969789346361673,0.0102265101974878,4.0476980679703765,1.308246436055106,2.581531206526551,0.3168181353913853,7.466383803863732,17.33986508523668,0.6655830344850084,4.725405131123251,0.6424714611385887,22.91300488551505,3.201079450763444,8.263165508600128,0.1149630573169802,-4.725405131123251,-0.6424714611385887,0.8882057987939306,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0104,17.86284711014176,18.28066769657212,18.61730897594489,18.89507311384336,19.13022975680899,19.33466205594405,19.51701039636245,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_41,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0995587484131477,0.3682041604309984,0.905251861375946,2.070443327725928,3.481651047259202,4.498314328238076,5.048497227963787,5.308459419397543,5.406369240142221,1.609444629660831,0.2962759422289138,0.0102455883342259,3.9785940278823295,1.2836457876868514,2.508057628776592,0.2876548708379116,7.20811425147369,16.74933836103524,0.6318944173908956,4.383926389086448,0.6240456191715628,21.77155416280428,3.2129525634324616,8.262314935893285,0.1306226666266277,-4.383926389086448,-0.6240456191715628,1.7206841322335642,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0104,17.964308834980738,18.388368900683744,18.72965200581583,19.01092487120742,19.24877462496694,19.455303081903665,19.639303314344613,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_42,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3802668697390565,1.1827085076696675,2.551577029417685,4.520994867177118,6.37002311535166,7.556192662590029,8.166489463516074,8.448666909209033,8.55400847945047,3.823391865890883,0.9685076136093096,0.0646182850117473,13.689914637616823,7.637676981297665,7.055671632105572,1.833000067584963,11.993681232245711,27.852416992233504,1.2130967029079904,9.42558466228747,0.8669087082793655,40.03155107253442,4.238179345886828,11.105750761150102,-0.0253995874348775,-9.42558466228747,-0.8669087082793655,-9.508300541180295,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0104,13.910261989007363,14.651747149603224,15.324679136155998,15.936768628872878,16.4941510950504,17.002009644817495,17.464922865397664,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0104_43,RSM0104.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3625801865553344,1.1614797683017537,2.520664376750484,4.456170154856515,6.277233921066813,7.449353701480629,8.05353679418564,8.333126614835631,8.437539566664556,3.770762528409888,0.9469755232390288,0.0585845205375886,13.381024462169648,7.403219600694651,6.883491715817658,1.7391582221020403,12.40843065016274,28.85126575910941,1.2440026636508803,9.447377381646328,0.8767794935116069,40.7415656681096,4.670151855858604,12.13912342375099,0.0056497148384862,-9.447377381646328,-0.8767794935116069,-8.792552284386161,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0104,13.997980032237749,14.71524488822696,15.367679649727418,15.96291639110884,16.506760417672652,17.003983721255548,17.458759541369503,NCCN.[C]#N.[Cd]cdq.cat0,"linker NCCN, [C]#N, nodes [Cd], topology cdq"
RSM0062_0,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0145620736160173,0.3962126034604478,1.878587881291938,4.200362107967412,6.315400699551188,7.65345253181896,8.33934351247364,8.656179648232653,8.774430934035196,3.3864037504823594,0.2368695920776673,4.144564728864139e-05,12.743822559862805,5.967077547037689,6.759466936420679,1.0743463589909696,5.07027723901602,11.13264694537416,1.0100396055737173,3.090356450163455,1.8175508890885903,55.3513861950801,-5.07027723901602,-11.13264694537416,-1.0100396055737173,2.849405916394241,1.8175508890885903,-55.3513861950801,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-12.0,-25.9735986,-2.0,-12.0,0.5900000000000001,-90.0,RSM0062,14.415591891344556,15.473647619054502,16.37389229744879,17.141095225353215,17.79690384484475,18.359673600468696,18.844712602875024,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_1,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,13.0,26.9815386,3.0,13.0,1.61,121.0,0.0146326823376745,0.3968925896672587,1.878962448727321,4.199843253119514,6.314630207298904,7.652749448120442,8.338726417439986,8.655612236066588,8.773883554398507,3.3861279337766748,0.2374119174252348,4.173439890971325e-05,12.73935684857014,5.9667103750059205,6.758008239874309,1.074463222287423,5.065399539624097,11.122200683184722,1.0093427913748712,3.0840851223738386,1.81841493869516,55.32699769812048,-5.065399539624097,-11.122200683184722,-1.0093427913748712,2.8598581293769354,1.81841493869516,-55.32699769812048,-5.0,-10.9821386,-1.0,3.0,1.83,-55.0,-12.0,-25.9735986,-2.0,-12.0,0.5900000000000001,-90.0,RSM0062,14.399004104564794,15.46046217353078,16.36387897823745,17.13395633900677,17.792329025413984,18.357366837039915,18.84440402096901,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_2,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410436374018207,0.4801553795840772,1.222283711867172,2.397785683121075,3.562009503251371,4.345480195395286,4.7600546842759135,4.954349942526408,5.027303655144029,1.9746634347108587,0.3824795910110453,0.0202455557074949,6.721516416934584,1.328246718387006,4.63114740192589,0.0983410302517587,2.861926794266669,6.24446671056578,0.520638023316989,7.02703098080258,0.2973611297293129,22.13502766085589,2.861926794266669,6.24446671056578,0.520638023316989,7.02703098080258,0.2973611297293129,22.13502766085589,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0062,3.2680177580104464,3.920907484477539,4.598568189493612,5.283323475475956,5.961187513068667,6.621981682999154,7.258933739719098,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_3,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407184602889373,0.4801840840817766,1.2315174974649872,2.434127690860564,3.605406847742543,4.377070572628224,4.78025479372573,4.968064367820212,5.038400425643295,2.0021083664117287,0.3822567164907052,0.0201507198502651,6.806044440651192,1.3675188216966632,4.681975223328747,0.1122235294721654,1.9805438455520328,4.333255494210209,0.371827504906365,4.955163884802953,0.1841654395712203,16.125206115685387,1.9805438455520328,4.333255494210209,0.371827504906365,4.955163884802953,0.1841654395712203,16.125206115685387,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0062,3.2856903282899563,3.937815919763569,4.61456633154572,5.298360841709481,5.975281550017384,6.635198014815129,7.271371873635818,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_4,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2115508132640688,0.529897283917684,1.2261980726006243,2.6873572181354857,4.329196544740473,5.471559838373253,6.080894163049268,6.367071691220959,6.474593424490398,2.126406366393089,0.4480981238673251,0.045755131765135,7.841903030316872,2.047474037529794,4.728479771407145,0.163215660498204,3.741957788576423,8.029282759390625,0.5495566070214509,8.069267977848448,0.6304311610700636,19.80238771543169,3.741957788576423,8.029282759390625,0.5495566070214509,8.069267977848448,0.6253318893862192,19.80238771543169,12.0,25.9735986,2.0,15.0,1.2399999999999998,90.0,0.0,0.0,0.0,0.0,-0.5900000000000001,0.0,RSM0062,2.6290519920959987,3.064116698480238,3.500124245801283,3.925849755389337,4.333522654925315,4.718350408540205,5.077846376928695,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_5,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2110961348167209,0.5293065355238202,1.226387410164575,2.688724530911997,4.329749434917296,5.470533590662986,6.078752107670852,6.364346970726535,6.4716405906474685,2.127556215131386,0.4475199764564228,0.0455611954231258,7.833991912341216,2.0512990808058,4.722526702811645,0.1659718661731907,3.70882337087112,7.958237203643361,0.5447396208728323,7.999483938534002,0.6248360859436017,19.62969185631752,3.70882337087112,7.958237203643361,0.5447396208728323,7.999483938534002,0.6198759264937682,19.62969185631752,12.0,25.9735986,2.0,15.0,1.2399999999999998,90.0,0.0,0.0,0.0,0.0,-0.5900000000000001,0.0,RSM0062,3.0643139368532464,3.50107525198622,3.93841386509664,4.365364733726974,4.774272440272083,5.160381855574971,5.5212056679765205,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_6,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140983785131767,0.4804855532055479,1.22538788022475,2.402842210377078,3.5637994095252177,4.343120298299865,4.755083687071831,4.948078716564457,5.020533089923386,1.9796810344807008,0.3825981939843805,0.0202274957657583,6.69768941586044,1.3304008078407523,4.617895497767829,0.1016893919110123,2.908933864496997,6.34214997274522,0.524454389468225,7.104568980242795,0.3111235894482418,22.16713794029076,2.908933864496997,6.34214997274522,0.524454389468225,7.104568980242795,0.3111235894482418,22.16713794029076,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0062,3.2537716859531063,3.9049009898409928,4.581248608426989,5.26513619237262,5.942526807270401,6.603170238973997,7.240219829704456,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_7,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411337389191471,0.4816845624201025,1.2531787531110412,2.5100260139423063,3.7304217637120254,4.530014989458701,4.946493303338914,5.140215986818051,5.212722841525472,2.058187072839166,0.3831459918698488,0.0202680238507544,6.9825026847660965,1.469385845476062,4.783082879761409,0.153828579826096,1.935504273972496,4.2473719748033165,0.3756501159118443,4.940705201267249,0.1569554345830522,16.617986743966622,1.935504273972496,4.2473719748033165,0.3756501159118443,4.940705201267249,0.1569554345830522,16.617986743966622,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0062,3.315014072090624,3.971400040121825,4.651304453934096,5.337185530285593,6.015231127396619,6.675441807553296,7.311211830373788,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_8,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411528877166529,0.481207630831424,1.2466488261182902,2.4840024363624305,3.679519524380464,4.461132576807293,4.8679093846613855,5.057058263785213,5.127844346747044,2.0401378594930653,0.3829476811986577,0.0202744855546088,6.916548022734402,1.438947498203274,4.742543736196319,0.1442574389462335,1.9566669245072763,4.28679559034539,0.3729516779219433,4.940280347882823,0.1714323853020944,16.323282831999645,1.9566669245072763,4.28679559034539,0.3729516779219433,4.940280347882823,0.1714323853020944,16.323282831999645,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0062,3.33711977982457,3.9937818887388254,4.673692100665511,5.359358392547628,6.037025189376148,6.696745586961445,7.331957584077335,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_9,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408611777628869,0.4804190207241157,1.224069079944484,2.391280769132022,3.536696580518246,4.304378794213866,4.710010827032991,4.900014128404691,4.97134212586143,1.972729179788704,0.3824853643632243,0.0201922399436183,6.675258614236861,1.3195214219228646,4.603521134723364,0.0986759016723495,2.9197938201953018,6.366563354396376,0.5271263606462351,7.136804705365183,0.3109463237752184,22.299876144259944,2.9197938201953018,6.366563354396376,0.5271263606462351,7.136804705365183,0.3109463237752184,22.299876144259944,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0062,3.2590221138517967,3.909422314192105,4.585149339117784,5.268518347266271,5.945486709563854,6.605797836590838,7.242597542240341,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_10,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404526483510523,0.4797818773982259,1.2329411242997828,2.445826409265087,3.6319300396402814,4.414746177520802,4.824054956315428,5.014775052320312,5.086209777854974,2.009329887059208,0.3818656325374919,0.0200754255183476,6.823453682117125,1.378492205378418,4.692131645382007,0.1152969984287783,1.9825046998315627,4.338476046037512,0.3730980280777438,4.967288924453513,0.1826557887792758,16.20433846628425,1.9825046998315627,4.338476046037512,0.3730980280777438,4.967288924453513,0.1826557887792758,16.20433846628425,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0062,3.2606198960201445,3.909510339646233,4.583973871159756,5.266364519715187,5.942638778721088,6.602520649891034,7.239130244209445,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_11,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405855060384159,0.4800691285450264,1.2267962231421317,2.416067333305942,3.59621122527277,4.390105611984835,4.809976994330134,5.006696579219852,5.0805507815660444,1.987437684547058,0.3821289201150522,0.0201126185946617,6.767494576725567,1.3511394011170696,4.657499651720646,0.1037401914154211,2.8287359767416795,6.172051936027103,0.5146044566127722,6.945571629643859,0.2939041535010993,21.87863207918566,2.8287359767416795,6.172051936027103,0.5146044566127722,6.945571629643859,0.2939041535010993,21.87863207918566,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0062,3.224978325730909,3.8726203026754513,4.546433158805607,5.228678305500427,5.9052111685866215,6.565657601427393,7.203049161957975,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_12,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175747421280163,0.91163762516192,2.129912154817373,3.640727445759799,4.904551418746792,5.676431909252756,6.066394371771856,6.245446011960478,6.312110902803782,3.132213184376752,0.715394790130335,0.023365393703811,9.148932740790157,4.786388572083573,5.565693535590239,1.663113648190511,1.954045836303424,4.299465095076431,0.3903102602736121,5.076527918492322,0.1377186591420008,17.576434386989366,-1.9490567664326968,-4.289515143579747,-0.3903102602736121,-5.071538848621596,-0.1354985230495274,-17.576434386989366,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,9.054371011244356,9.825950752627676,10.570791400770377,11.286130370753542,11.969904329396396,12.620719166150014,13.237818742745386,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_13,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174649075764623,0.91197145456259,2.131200209719234,3.645315073813297,4.914827463166411,5.691519300632586,6.084277122973309,6.26469098521052,6.331875462043835,3.13529318071713,0.7155934052473054,0.0232875022334967,9.188551926059317,4.792952709086007,5.597407790922556,1.6649388712584514,2.0034286189117974,4.344991220572551,0.3389427400760488,4.714970539520187,0.2560080977731582,16.79599789607996,-1.385998781848691,-3.113620025025744,-0.3389427400760488,-4.0975407024570805,0.0187481797199243,-16.79599789607996,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,9.039623432118924,9.809729582067003,10.553358314410266,11.267744904293806,11.950809263707756,12.60113453657745,13.217939711769745,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_14,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175756936589381,0.9120413888703705,2.131393055186489,3.64346676537476,4.906868555088751,5.67712628857923,6.0657851440775605,6.244122773738742,6.310502907451598,3.1346164158986967,0.715646610836109,0.0233523468666626,9.151032267650288,4.790457677162228,5.565428068448458,1.665127802829615,1.9489452008851709,4.288638862386289,0.3896761437822601,5.066354351143253,0.1366378448021629,17.53824888007106,-1.947816236937432,-4.286387313137115,-0.3896761437822601,-5.065225387195514,-0.1361354558454189,-17.53824888007106,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,9.0488143739565,9.820715451561115,10.565646309544348,11.280959758223045,11.964663042548676,12.615402123609922,13.232441448697552,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_15,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178789454276263,0.9126214998250876,2.133157588076392,3.660612433238623,4.955603529103271,5.753275219287773,6.157865594313366,6.343950279040105,6.413281561041102,3.1440177818989654,0.7162052347758601,0.0234056211147385,9.28599010436559,4.811863209627432,5.665411575613697,1.666920471108276,1.8423537753693195,4.002544423972683,0.3183734125419551,4.3893410757049605,0.222897281523181,15.5792371276857,-1.3413803500502328,-3.0034280731875618,-0.3183734125419551,-3.888367650385874,3.5892743812679866e-05,-15.5792371276857,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,9.031782884184102,9.801499817362195,10.54495933552335,11.259313333080032,11.942428799698808,12.592853758822844,13.209782961464487,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_16,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178840215894886,0.9124353332244198,2.132014289984633,3.655336551434545,4.94274746482865,5.733874859989658,6.134645788278165,6.318867748160902,6.387488475117876,3.140677198222383,0.7160990969458357,0.0234107991202203,9.26038829122875,4.804585207345166,5.649438843742866,1.6652022620867188,1.844725512786852,4.003373460868437,0.314589707609022,4.361443173659028,0.2310471514232328,15.515421716114702,-1.3011715633033685,-2.91933664171605,-0.314589707609022,-3.817889224175544,0.0108343560969175,-15.515421716114702,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,9.076503983984056,9.846013514929988,10.589410318440862,11.30376015458456,11.986884544009229,12.637310379549984,13.254224840917988,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_17,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175962939526842,0.9124713482642612,2.132336855106081,3.642025626799646,4.89924150995347,5.66383997017575,6.049149026197463,6.225845957124295,6.291599315161136,3.1345400557305805,0.7159484513600541,0.0233275767654329,9.144336001382934,4.7912223012027,5.560861323987439,1.6665915934231343,1.952604078453712,4.296608343537179,0.3903283185158426,5.075230626580453,0.1370432176946967,17.569586762585416,-1.9506791067047144,-4.292769276129566,-0.3903283185158426,-5.073305654831454,-0.1361866052663928,-17.569586762585416,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,9.093375747889008,9.862864214215612,10.605684421959612,11.319147796863954,12.001234363263649,12.650569837984955,13.266401097690668,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_18,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172023313541571,0.9115495645926572,2.1310106930938995,3.647932420963397,4.922949327703479,5.7043500147077895,6.099829398001603,6.28156371502024,6.349250753120265,3.1365276474057207,0.7151966895009402,0.0232128623447316,9.198764914178469,4.79490691366315,5.60280312923584,1.6642349746222584,1.939678789266262,4.201285539454957,0.322874798577886,4.52267717788935,0.2577668138899504,16.15588991788903,-1.2890691965125975,-2.9037422981466854,-0.322874798577886,-3.8720675851356856,0.0317544548854304,-16.15588991788903,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,9.089097414352466,9.858552625477342,10.601583741192009,11.31546659983244,11.998136194101804,12.648174099263136,13.264788620354675,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_19,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174442309658595,0.9122180854968296,2.132187389319728,3.647508390538778,4.918760028333649,5.696808689089797,6.090300821597258,6.271057785534384,6.338370586245678,3.136994697228105,0.7157464981505308,0.0232584798223307,9.178397311583591,4.798405027937379,5.580924882921243,1.666222556444634,1.9535375758863485,4.298376190453543,0.3902372682947826,5.07543572224461,0.1376293432167074,17.572433245327392,-1.9488351070614784,-4.288997821752663,-0.3902372682947826,-5.070733253419738,-0.1355367445896401,-17.572433245327392,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,9.096691688247962,9.866630807242078,10.609748236837092,11.323446772553252,12.00575922659846,12.65533832728299,13.271442020640052,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_20,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1009860829604184,0.7305375332909121,2.18168822304431,3.9832592698070015,5.401685356336474,6.2362925516210055,6.651029618281722,6.840144477456652,6.910361895716925,3.389875303584638,0.5251647293627736,0.0036241705058145,10.83293091469103,5.273717110749591,6.672753120921263,1.7353383824699038,0.9382297036335892,2.048509859007045,0.1720171963078881,2.314367274096695,0.0949799750396569,8.13149244432571,-0.7819422594452925,-1.7368179946901143,-0.1720171963078881,-2.158079829908398,-0.0254320623758647,-8.13149244432571,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,7.506032834861688,8.233390418607856,8.957756144135498,9.675687835786691,10.382566339144391,11.073552213117448,11.744225725401842,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_21,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006338558061166,0.7289193791342098,2.1784188684724453,3.983865063246333,5.416343303736884,6.265478511663808,6.689274936619132,6.882926229949567,6.954892232055682,3.387920531140471,0.5239124670365443,0.0036012785092621,10.865522206448636,5.269657890826269,6.6979282281185215,1.7293153213009314,0.9469592596570614,2.06826942924536,0.1742963014406257,2.341329671182067,0.0945913053462191,8.22072232709782,-0.7960037547491953,-1.767211318032357,-0.1742963014406257,-2.190374166274201,-0.0274161056622186,-8.22072232709782,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,7.53015122525604,8.258557253895225,8.984336516847574,9.703821883759254,10.412236275215411,11.10463840534497,11.776550201581491,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_22,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1566962903874093,0.7809866912481133,1.9271962623018075,3.673274686172008,5.413125199888112,6.565111753387844,7.166360834851368,7.446084329612855,7.550774627839401,3.0399430603520345,0.6032332250710197,0.0097440957662402,10.214997025368202,4.428098470511911,6.233686882226534,1.2888464844983472,1.8143106581548487,3.748801646991192,0.1265081676221065,2.826375999131702,0.5701654285874581,11.601716643216376,0.5492289819337833,0.9649236342195728,-0.1265081676221065,-0.4628363590430692,0.4816097112519836,-11.601716643216376,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,6.000975435973452,6.775898106705653,7.5485691160430015,8.312722547466382,9.06321616568734,9.79565532699312,10.50630694632572,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_23,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1008498227315508,0.7298932834979255,2.1803561841433043,3.9866535441010895,5.420568202495171,6.271138061012514,6.695838047673857,6.889945147886272,6.962087451823703,3.3903728735006617,0.524670878604889,0.0036166371734611,10.87956436447254,5.277062156415014,6.704093306041441,1.732681243789282,0.9399013836213634,2.0534677020980947,0.1735922810378452,2.3286396319241254,0.0927705887655468,8.17135253886372,-0.796021426757089,-1.7665207101258291,-0.1735922810378452,-2.184759675059851,-0.0287440079609447,-8.17135253886372,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,7.535690581615268,8.26332841395395,8.9880902345516,9.706452476996011,10.413737352170422,11.10506852952266,11.776006846618534,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_24,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006546815926783,0.7290979447381996,2.1785654832183154,3.978779627346901,5.39675844074906,6.231591325536456,6.646621265188024,6.835914065282845,6.906204924237626,3.38577646768162,0.5240437401543047,0.0036000102002732,10.81622544926314,5.25884865298844,6.666567429994356,1.7299546762119282,0.9342079830553904,2.0401085471337383,0.1716480500938114,2.3073923838058814,0.0938824585337522,8.104000917153181,-0.7822725178827238,-1.7370960521666308,-0.1716480500938114,-2.155456918633215,-0.0262711765319156,-8.104000917153181,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,7.518148983224731,8.247366298439184,8.973595287429216,9.693316486691604,10.401850084695226,11.094316358685273,11.7662744164943,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_25,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1577950920424383,0.7834628892985741,1.9260404235720807,3.641224315188319,5.3378688115970965,6.460621439947171,7.046993819503733,7.319924621617877,7.422095766659112,3.021647867722848,0.6054778630977022,0.0098853609177879,9.912630065430276,4.369711650681639,6.0301577010171625,1.2892518036937195,1.7603778941154244,3.6281181151597166,0.1137801398925527,2.670619013255846,0.5700304005828275,11.077492268428175,0.6225764951898968,1.1243269711513495,-0.1137801398925527,-0.287664623950525,0.4903843026580406,-11.077492268428175,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,6.002755196298122,6.775290802430225,7.544298068942835,8.303914546547116,9.049396896300705,9.77668960410557,10.482318668734836,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_26,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1577177165663409,0.7836695179337385,1.9288527974836085,3.64681613093008,5.344112759202879,6.4667042711475045,7.052884562256027,7.325707693542973,7.427835986744478,3.02655288150396,0.6054996448170886,0.009872374392765,9.939251323775542,4.384874737926677,6.043471793933252,1.293407661888799,1.7729717554246014,3.6558355641501854,0.1163027940748713,2.703394108023572,0.570904692273564,11.190914658620434,0.6099438146758883,1.0965321030797244,-0.1163027940748713,-0.3204785379230824,0.4894927364211541,-11.190914658620434,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,5.956015047709723,6.730002611121724,7.500749198156524,8.26221633374915,9.009552461937162,9.738638935579978,10.445967602512368,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_27,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1568779631273508,0.7814570674909109,1.9278697593722247,3.673809089525688,5.413700278427367,6.565838778445164,7.16719443441264,7.446972192742932,7.551683440657625,3.0405254579504657,0.6036376467918907,0.0097667107720065,10.22156446268252,4.428999252961197,6.237450477083389,1.2904465355166228,1.801206408206211,3.719861225663412,0.1237866029013829,2.791499231417274,0.5694369712116708,11.481764099058717,0.5633403791923812,0.9958726597849706,-0.1237866029013829,-0.4269524440186823,0.4827863491807028,-11.481764099058717,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0062,6.016295247405615,6.789529839507483,7.560640616820737,8.323329282110928,9.07244979691609,9.80361336253613,10.513093342494615,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_28,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0678118975850673,0.4075956684861289,1.536857336729162,3.557164761530628,5.485424811905026,6.716388470681628,7.348213629645225,7.640100800525674,7.749035876698851,2.829871110208569,0.2908280247376835,0.0044964951670126,10.977157152729395,3.6969293023996914,6.660925181590488,0.7898790231467595,3.4206638859275293,7.257377418300698,0.4242223371547078,5.84405530163012,0.8703958647398637,20.01448127424286,-2.450276604392457,-5.125991894001623,-0.2301448808476935,-5.84405530163012,-0.8703958647398637,-2.888371355841188,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0062,13.423282900414964,14.274842371854948,15.03710247816872,15.721569399414191,16.338074420642076,16.89495353039885,17.39927160920864,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_29,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.069161077874711,0.4050322066836011,1.460073336271794,3.360483963312087,5.238974161277081,6.4674807231951,7.105482690061314,7.401753087249792,7.512559193907043,2.6686190767934863,0.2917273847908228,0.0046574550044277,10.321273334381464,3.185422048898116,6.415826125087103,0.6198909806067417,3.4621959672118754,7.356687486991063,0.4401512402394214,6.041001194399326,0.8548695247801017,20.138193920243147,-2.5197912724839537,-5.286763692032517,-0.251670301293837,-6.041001194399326,-0.8548695247801017,-4.075560033420898,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0062,13.059433753898793,13.903164472726615,14.662915935634809,15.348070546453402,15.96717351710532,16.527782902011975,17.036488738233523,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_30,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0684293036562206,0.4063627399432781,1.5083751020595588,3.492161689665151,5.39899404196883,6.620759435809757,7.248900085645956,7.539292443153636,7.64770122385199,2.775958211367889,0.2913397389553767,0.0045551311927913,10.72251582261493,3.5205539763939586,6.553062441093434,0.7283945767012707,3.240880207631284,6.876054851348957,0.4021334782408576,5.488941010950614,0.8316044600402276,19.11142210597901,-2.271873185023754,-4.747700966019112,-0.2083320737193517,-5.488941010950614,-0.8316044600402276,-2.2548722126283174,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0062,13.603888949609589,14.42798138558047,15.167273244723118,15.832510205884995,16.432899005000827,16.976260560118195,17.46923266394933,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_31,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686087457030534,0.4043257950040113,1.484205829058488,3.426523557629178,5.330680446728123,6.570461015063703,7.21314863229721,7.51137731689389,7.622883948120198,2.721541935023229,0.2902140490878084,0.00460897784727,10.558327024150358,3.354088363500692,6.508045810392746,0.6609254499534479,3.703661366570126,7.872202537484362,0.473110233471071,6.530368354951872,0.9028575025146974,21.392831471011093,-2.745486487183306,-5.767640671791493,-0.2814752575937069,-6.530368354951872,-0.9028575025146974,-5.017660716256136,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0062,13.469733089436458,14.298692763328084,15.043400442524351,15.71390948768265,16.31911269142741,16.86672005381422,17.363362088570412,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_32,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686863797166946,0.4050359571178112,1.486194161551048,3.4308099862841672,5.336903786477787,6.57777228560549,7.220986563627441,7.51945322173778,7.631047949671561,2.725016949090031,0.2907384951437027,0.004611792595847,10.576246087741476,3.36399605684721,6.515533671172725,0.6647179573316442,3.701539531893729,7.867662502321334,0.47281218474001,6.525346668846679,0.902548415768326,21.38376868237004,-2.742849190926598,-5.761968462524877,-0.2810741165465839,-6.525346668846679,-0.902548415768326,-5.002251862660754,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0062,13.368238000083748,14.21670392920855,14.977712257240908,15.6619757475128,16.27888625484072,16.836538125415768,17.341861613342054,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_33,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686083812198774,0.4073246673546341,1.5112781991899729,3.4964580568788066,5.402213474457044,6.622177838272615,7.249092764868745,7.538854538505797,7.647017914463746,2.780056998319704,0.292041995042066,0.0045739902891299,10.746140709105358,3.5341750896223534,6.563939786503086,0.7311288605047201,3.231510972280893,6.85570873262468,0.4005204523996841,5.467861265361708,0.8302829066808552,19.060994839754443,-2.263697646164234,-4.72997671535665,-0.2069577871763524,-5.467861265361708,-0.8302829066808552,-2.200743545406838,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0062,13.49566785547408,14.32566609206277,15.070955514867952,15.741983901547462,16.347809565379478,16.896194076061892,17.393765830433146,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_34,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0693491307905191,0.4048725090745274,1.459683210860679,3.3617118129393844,5.24276419590609,6.473305741310909,7.112457445391012,7.4092812179733025,7.520297308451485,2.6691117502091246,0.2917201660148887,0.0046900074478801,10.322629223469171,3.189656420561632,6.415365110708628,0.6208027021604955,3.468596477902059,7.369828521076562,0.4405124987060209,6.052093056383407,0.8567738024453161,20.164792623010744,-2.527993066735241,-5.303861115263207,-0.2523918164726573,-6.052093056383407,-0.8567738024453161,-4.086858408242986,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0062,13.208322205860398,14.048516566395351,14.802086472558358,15.479745159399668,16.09086229806838,16.643489968867215,17.14450147047911,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_35,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0680046046195927,0.4086156327768718,1.5406687932602476,3.5641258295574514,5.49498198432037,6.72769564176728,7.3604671385485,7.652803539408324,7.761908266219282,2.835819336658509,0.2915242341515933,0.0045204866744194,11.00134459449392,3.713700345454519,6.672269167984325,0.7958554744017317,3.422368598577282,7.261711360546407,0.4251180704118125,5.858084903131842,0.8687114266382532,20.00752776910624,-2.4571403398373413,-5.141657256922669,-0.2320724186638244,-5.858084903131842,-0.8687114266382532,-2.9941393485410623,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0062,13.65476517409766,14.472303492407494,15.20606429869514,15.866525874554156,16.46270574396041,17.002290362144013,17.491822448049756,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_36,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2180454550526541,0.6659700328387067,1.7799532665268478,3.7258446004702086,5.640029951139226,6.89115438459614,7.541150666493162,7.843090089302692,7.956035177829072,3.0193365113118364,0.5334155961959537,0.0457792317807156,10.488509397745087,5.007060340651447,5.484819867934892,1.1994144622622858,3.437855601518851,7.434547745562129,0.5664514002923181,5.177885464872078,0.8809034052976195,25.56402202455021,-0.6462742625335327,-1.3030411099800578,-0.0081351324952543,-5.177885464872078,-0.8809034052976195,5.453493376985177,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0062,14.0426540493026,15.0952563462839,16.002323228009807,16.784589356536785,17.4606281075908,18.04655885919611,18.556119361513105,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM0062_37,RSM0062.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2175666756326237,0.6650606821373363,1.7774993116976103,3.722242865521909,5.636492273712792,6.887866685454271,7.538008734246284,7.84001572202801,7.952985834327709,3.015938524934897,0.532655390528391,0.0455851058999915,10.479560573639487,4.99403078317457,5.484038530259837,1.194019486280829,3.428868145612033,7.415659218903556,0.565515750511517,5.161543892843946,0.8786389306035731,25.51869149864084,-0.6374178887518109,-1.2844404957346431,-0.0072256991394725,-5.161543892843946,-0.8786389306035731,5.472740760856196,5.0,10.9821386,1.0,0.0,0.0,55.0,-7.0,-14.99146,-1.0,-15.0,-1.83,-35.0,RSM0062,14.289188252192249,15.315058539047074,16.19834084671454,16.95964199838519,17.617285706313808,18.18710262793133,18.68254410417497,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Al], [OH], topology rna"
RSM1876_0,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0061049398257341,0.2199815078574083,1.2382359553966296,2.992578668373159,4.597482496051598,5.5993881995183,6.108489339683573,6.342662333599996,6.429903686886505,2.3718636975995726,0.1253503469953777,1.0374213125811088e-05,7.996139030601525,3.077431442652834,4.52269832519392,0.4632843697760031,22.3489504101342,50.32263637898793,2.236609326160182,6.402557254363105,1.0701178942173686,74.45693491445611,-22.3489504101342,-50.32263637898793,-2.236609326160182,-0.0857142573381044,1.0701178942173686,-74.45693491445611,0.0,0.0,0.0,5.0,1.54,0.0,-28.0,-62.53806,-3.0,-10.0,0.0,-101.0,RSM1876,20.742108319910013,21.223785366964687,21.60887262602806,21.9208849439055,22.176764147488345,22.388918539814675,22.56657551401614,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_1,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0060753224985875,0.2196246629335975,1.2376534674379185,2.990421275574407,4.590937484911852,5.588670003284537,6.095267140159324,6.32820744179103,6.414976973086342,2.3706135840633147,0.1250890446631091,1.024109672127445e-05,7.976305165807001,3.0743190264831948,4.508366358554311,0.4626038172566995,22.34171323566984,50.3074035386006,2.2354718132788816,6.396351535881788,1.0719450060663331,74.41670744035075,-22.34171323566984,-50.3074035386006,-2.2354718132788816,-0.0650244855948858,1.0719450060663331,-74.41670744035075,0.0,0.0,0.0,5.0,1.54,0.0,-28.0,-62.53806,-3.0,-10.0,0.0,-101.0,RSM1876,20.644404563548274,21.140423484388823,21.53712277388005,21.85860737448673,22.1222797056981,22.340902410127764,22.523974664370225,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_2,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.006103660612676,0.219959954300273,1.2381472941299227,2.992443977634591,4.597379131439238,5.599334743571129,6.108468918546525,6.34265869114729,6.429906539308266,2.371735190734773,0.1253368108214931,1.0366912835725022e-05,7.995804550939638,3.0770516053733075,4.522748569727778,0.4632167858305084,22.350020866221264,50.32494728794914,2.236755102706673,6.403250408337256,1.0699658572213977,74.46200851057668,-22.350020866221264,-50.32494728794914,-2.236755102706673,-0.0876508042273297,1.0699658572213977,-74.46200851057668,0.0,0.0,0.0,5.0,1.54,0.0,-28.0,-62.53806,-3.0,-10.0,0.0,-101.0,RSM1876,20.743168500346474,21.224758622568125,21.609756093205817,21.921683127114395,22.17748444289379,22.3895690903528,22.567164221653336,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_3,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0060710588595994,0.219546898662464,1.2373995596496363,2.989993289181696,4.590378378697212,5.5880279083876125,6.094581433172097,6.327501282245465,6.414263127606683,2.3702399704686883,0.1250382573456821,1.0226935004082768e-05,7.974875266575492,3.073440575098456,4.507667218873343,0.4623930218543345,22.344866220911666,50.31429417179175,2.2358685573639816,6.398066844417202,1.07166884656044,74.43037875381721,-22.344866220911666,-50.31429417179175,-2.2358685573639816,-0.0690967636407705,1.07166884656044,-74.43037875381721,0.0,0.0,0.0,5.0,1.54,0.0,-28.0,-62.53806,-3.0,-10.0,0.0,-101.0,RSM1876,20.669333837669384,21.161687707338515,21.555439188520783,21.874526234743104,22.13622757682528,22.35321360728524,22.53491405278772,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_4,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0061081793083168,0.2200375318828995,1.2384065881321096,2.9928229951524883,4.5977298693256285,5.599618118161467,6.108706100565266,6.342872204027464,6.430110863955674,2.3720927670175884,0.1253876073974829,1.0383380452584335e-05,7.997505358963092,3.078100685629296,4.523383443191285,0.4634367923969769,22.351282697860565,50.32775609908069,2.236893989360764,6.403737966564375,1.0699599653051648,74.46670404343514,-22.351282697860565,-50.32775609908069,-2.236893989360764,-0.0882859787353573,1.0699599653051648,-74.46670404343514,0.0,0.0,0.0,5.0,1.54,0.0,-28.0,-62.53806,-3.0,-10.0,0.0,-101.0,RSM1876,20.73759454787057,21.21991185236676,21.60552134499932,21.91796276533672,22.174197405730258,22.38664864032486,22.56455551666497,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_5,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0060821917127613,0.2197353194214469,1.237969179154456,2.990972228587626,4.591766405417211,5.5897201071943,6.096443682393737,6.329445207398125,6.416238030265046,2.371078352868929,0.1251639320732842,1.026329621261611e-05,7.9792181916281555,3.075504789531222,4.510124004769683,0.4628941688144639,22.34217423911345,50.30840301246276,2.2355329389061875,6.396633503980838,1.071888232958608,74.4188279092765,-22.34217423911345,-50.30840301246276,-2.2355329389061875,-0.0657757497421139,1.071888232958608,-74.4188279092765,0.0,0.0,0.0,5.0,1.54,0.0,-28.0,-62.53806,-3.0,-10.0,0.0,-101.0,RSM1876,20.63407729841264,21.13159855148425,21.5295085068676,21.85197985104692,22.11646505261632,22.33576407494684,22.519404222707028,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_6,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422111220143751,0.5194620982813369,1.5255977686908575,3.1236506242668867,4.579066856737236,5.49840383058952,5.969494130555128,6.187098411923022,6.268314467732276,2.5626529750787035,0.402196157883291,0.020470353876352,10.363151164666943,2.750116322890308,6.767236357023732,0.3617362472671419,3.658146140700063,7.893910081494119,0.5717002367954601,8.12851365394443,0.5399033340418407,21.80448267729377,3.658146140700063,7.893910081494119,0.5717002367954601,8.12851365394443,0.5384285571687075,21.80448267729377,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1876,3.478292076376045,4.153242011980107,4.845849891347763,5.539328187751175,6.220869948160916,6.881470180274903,7.515388323426876,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_7,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415559717170544,0.5084911346836885,1.4172483852048567,2.872086341507478,4.2468627195349615,5.135735651230602,5.596197946525344,5.809902036116944,5.88981669082374,2.354806297581005,0.3973034650559804,0.0202747752793457,9.283599627176654,2.255976098132797,6.181796097996064,0.2546636979788791,4.047708722571405,8.75382823467241,0.6197676590663826,8.51350326767104,0.5640504262792471,23.508591296798663,4.047708722571405,8.75382823467241,0.6197676590663826,8.51350326767104,0.5570169016016551,23.508591296798663,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1876,3.4924014361604727,4.165664881872688,4.857928695410646,5.552060210795424,6.234893546053533,6.897130971991696,7.532825203725047,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_8,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419767882178211,0.4854441902336354,1.2745481977501618,2.4960721674039688,3.611775598404749,4.3185387305152725,4.681193742639503,4.848809222458901,4.911383172476965,2.067154982234011,0.3852646439563789,0.0205160931937237,7.177236776305555,1.5806676505345498,4.843862213981309,0.1376366175307274,8.555064976645015,18.5956900635958,1.1775336401478531,14.247127654722927,1.0190371701466985,42.40380134941635,8.555064976645015,18.5956900635958,1.1775336401478531,14.247127654722927,0.9657770781023424,42.40380134941635,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,5.0,11.00276,1.0,10.0,-0.3000000000000002,35.0,RSM1876,3.437074626003604,4.120902044216142,4.825326365191817,5.531873748806943,6.226468887240686,6.899261366092553,7.544016199972104,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_9,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417476093815849,0.4845195157256657,1.2700918467082762,2.4869459663126143,3.597693464995743,4.300527651724145,4.660909906957373,4.827416946101107,4.889567837402252,2.059651908640688,0.3846716747195746,0.0204505334396744,7.150645589919549,1.5678116854515882,4.82935718989639,0.1349756373939959,8.307034290432359,18.04535519473073,1.1578787723779016,14.254610249519638,1.009738672289041,41.96346358614879,8.307034290432359,18.04535519473073,1.1578787723779016,14.254610249519638,0.96237504057567,41.96346358614879,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,5.0,11.00276,1.0,10.0,-0.3000000000000002,35.0,RSM1876,3.4394633267927155,4.122220545489452,4.825534482355852,5.531044473207327,6.224730716154856,6.896762643443245,7.540904515048201,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_10,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422064570225027,0.5284212570591249,1.605489678131113,3.4136427766213813,5.119517577536164,6.210075181274046,6.770734609708488,7.0299516746398,7.126726406894609,2.768345172707468,0.4068366069455227,0.0204276597867458,12.513942434203678,3.556981370592971,7.917708287959077,0.4305461802138491,3.401118619176573,7.330964200665845,0.5314620000396534,7.652814619493801,0.5170241495545721,20.19674690689288,3.401118619176573,7.330964200665845,0.5314620000396534,7.652814619493801,0.5170241495545721,20.19674690689288,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.2513295350179146,3.921796533482565,4.614849602622223,5.312560399613623,6.001026246881223,6.670315065850741,7.3139589885294995,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_11,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141320962000357,0.5053931839864049,1.4108432821059702,2.8890728627511733,4.324553731390724,5.271095672152492,5.766455021432072,5.997431311156186,6.083973554502783,2.3587320839622463,0.3952585487650115,0.0202358877608368,9.402656549289826,2.271816402946644,6.219542979948931,0.2339898338701151,3.4217414640362533,7.418977846226971,0.5277062511314364,7.052577920980742,0.443227158838008,20.266806928431592,3.4217414640362533,7.418977846226971,0.5277062511314364,7.052577920980742,0.4347869652364793,20.266806928431592,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1876,3.428223490027462,4.097296814002414,4.787486287590786,5.481268577698869,6.165060882273983,6.829188683560444,7.467393621590657,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_12,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1368889093366441,0.569940704615367,1.7218379519793354,3.5563459633316565,5.2223822860618725,6.264024015582637,6.793974238994128,7.0378795245610375,7.128768513497935,2.9111973156460973,0.432620444005672,0.0177362177921449,15.420033594114674,4.045021989344068,9.121178738594256,0.2409123489492028,1.090627367740594,2.3536501050821537,0.1731414346826097,2.475758845201472,0.1619670883396592,6.666763589079716,1.090627367740594,2.3536501050821537,0.1731414346826097,2.475758845201472,0.1619670883396592,6.666763589079716,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.2252563688541573,3.6884917707294167,4.185662343901711,4.709411278109089,5.251085570270165,5.802236809001925,6.35548722571645,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_13,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411834472591005,0.5992975630108088,1.7667539861998984,3.4384874510131294,4.884392365520398,5.777412520103156,6.230656517645463,6.439168911790234,6.516863779018642,2.865504692838044,0.4521278450037821,0.0187538885017411,13.391267957542338,3.6013134339844903,8.052549970323545,0.2682048726816011,1.205444773784213,2.653044625606233,0.2144323165434198,2.5963834296244044,0.0850421776774522,9.222564864635515,1.205444773784213,2.653044625606233,0.2144323165434198,2.5963834296244044,0.0804061794416355,9.222564864635515,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1876,2.929832443101932,3.4053402676925875,3.921113858728877,4.466429179942859,5.03025968580747,5.602590269614057,6.175080121775483,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_14,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420358021296398,0.6008704058300982,1.7776214663187242,3.4771043633590644,4.958294103603008,5.877862009705146,6.345874100448064,6.561461823178938,6.6418375792935045,2.8929633130790187,0.4534403166755093,0.0189395721067384,13.227685214193242,3.675850087995441,8.097022673202815,0.4258926817163264,3.1371744285058845,6.721472958161272,0.4508668392733055,6.744109142692328,0.5506922982673959,15.87480660660195,3.1371744285058845,6.721472958161272,0.4508668392733055,6.744109142692328,0.5506922982673959,15.87480660660195,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.0228433219352784,3.492132366389801,4.001442093755537,4.540158147017149,5.097400176047692,5.663283522440003,6.229561097955921,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_15,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1378424494939291,0.5653665362926016,1.6377624255174088,3.3517598767572854,4.953516554994101,5.97263134206221,6.495224534497198,6.736553595375833,6.82660488662292,2.74295316030822,0.4322598860895623,0.0179071492780845,14.809025925715304,3.573763362605093,8.97448399327898,0.1775705491652909,1.363685796352078,2.991833860820531,0.2639104103619454,3.474969079247641,0.1139941784524329,11.655299743575789,1.363685796352078,2.991833860820531,0.2639104103619454,3.474969079247641,0.1139941784524329,11.655299743575789,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.230294255674486,3.675636140761036,4.156051563064029,4.66471578399733,5.193281749679793,5.733398684637429,6.277628957624894,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_16,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1324752580050547,0.5326476416329302,1.8048342845643703,4.015353057856488,6.040811794496751,7.297665825655384,7.933183486842052,8.224729961497022,8.333217324981158,3.2308404406362534,0.4012194189177193,0.017682340794355,19.42004128113448,5.28906657965296,11.44662132086392,0.3480410843649927,1.8406769366196536,3.953149925435358,0.2736841163640316,4.030149867531907,0.306620320671482,9.954503462383949,1.8406769366196536,3.953149925435358,0.2736841163640316,4.030149867531907,0.306620320671482,9.954503462383949,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,2.031688965466253,2.484398080159016,2.995602496744233,3.5516442872442218,4.138238094698234,4.74227709677537,5.352748081751525,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_17,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1475376152679753,0.646459579684985,1.8101749138441297,3.4594659966796435,4.942125165556706,5.884340408032779,6.369373155965838,6.593926993814163,6.677818252427771,2.8874991595712,0.489372015790133,0.0191715250461946,12.74510244007664,3.6944210826573816,7.740959743200529,0.5051067615181554,1.9477486290418824,4.268662280748338,0.3726115107056943,4.928640714687437,0.1681999782408623,16.34406260418919,1.9477486290418824,4.268662280748338,0.3726115107056943,4.928640714687437,0.1681999782408623,16.34406260418919,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,5.082650555254515,5.491176426860975,5.922256868123813,6.371057565615217,6.831621175654413,7.298000508995759,7.764922208916177,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_18,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1455142190034225,0.621553253575558,1.6660042981758671,3.168193637529068,4.567270680409154,5.474611645270861,5.945975319040072,6.16505554017878,6.247031747591716,2.640320937489949,0.4753071267542102,0.0187521967148016,12.3109810913659,3.0008883381369884,7.462167025662937,0.1678274556742667,0.8603388720756753,1.881804946609015,0.1609063298779448,2.1475895110992345,0.0836627545733967,6.961748731077763,0.8603388720756753,1.881804946609015,0.1609063298779448,2.1475895110992345,0.0836627545733967,6.961748731077763,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,5.33975731655964,5.7315465242155295,6.144813680469502,6.576067036749384,7.020133881306082,7.471462543288738,7.924929463164896,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_19,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1453380910061323,0.623765010081336,1.6746678623437885,3.069287517924168,4.243303899991317,4.960195022702563,5.322372835042256,5.488681914168496,5.550606096430664,2.5974325643405263,0.4759675332262436,0.0187124995216569,11.379924720824716,2.84796305676864,6.828686616551797,0.1668946540348355,0.1841581559053648,0.4052495982938626,0.0368316311810729,0.4788112053539488,0.0128910709133755,1.6574234031482842,0.1841581559053648,0.4052495982938626,0.0368316311810729,0.4788112053539488,0.0128910709133755,1.6574234031482842,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,5.251724856140515,5.652884435324024,6.0773828930195455,6.520372399396456,6.975793039422206,7.437579039012656,7.900356684850314,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_20,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425923760658009,0.6105418853645499,1.8705094571613727,3.794268063537916,5.518135832941838,6.595435584889307,7.144022530581891,7.396646500764025,7.490808278520334,3.123532479593945,0.4586059221462053,0.0190496697802991,15.595486816282907,4.465068548541728,9.44910833254135,0.5198916355416612,1.7781165693795773,3.8649992988052975,0.3092114801311948,4.251808410429136,0.2118282717572618,12.754220762285756,1.7781165693795773,3.8649992988052975,0.3092114801311948,4.251808410429136,0.2118282717572618,12.754220762285756,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.034778080810555,3.5038709982041447,4.012718355988167,4.550884940066807,5.10758811495205,5.672984084101446,6.238833044494112,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_21,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1373569278777103,0.5765279884927251,1.7664464201320909,3.7423941818591886,5.594200672247263,6.76527767960473,7.362886387090359,7.638143408183934,7.74073692502863,3.0376266579935,0.436859092701321,0.0177482587202849,17.48557077562564,4.547328100048599,10.482153855964418,0.3036364308440111,1.6293012490085512,3.583111302382905,0.3236595187158639,4.218577398735463,0.1186726227108756,14.50966006506772,1.6293012490085512,3.583111302382905,0.3236595187158639,4.218577398735463,0.1186726227108756,14.50966006506772,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.2061580915706,3.650757954762216,4.1295815162242535,4.6363176325598205,5.162981030514592,5.701446720556139,6.244397658343912,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_22,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422825556896498,0.5198221791523481,1.526955145285991,3.1259334895623296,4.581895185963283,5.501514974541774,5.972738798082295,6.190402654404425,6.271640633898178,2.5646690410306614,0.4024331518244123,0.0204896801932657,10.373687270840062,2.754861259724576,6.773348714159118,0.3630105597626379,3.656402557621312,7.890059142743532,0.5715191562583342,8.127499806097576,0.5398047596112128,21.79891710353165,3.656402557621312,7.890059142743532,0.5715191562583342,8.127499806097576,0.5383611024456355,21.79891710353165,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1876,3.477661263762476,4.152601851313954,4.845188877974302,5.538641748756423,6.220158457481834,6.8807371107722295,7.514638785037389,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_23,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415133322738489,0.5085039319301387,1.4174399264575843,2.8722244635498293,4.246750313506425,5.135409174188267,5.595750021360583,5.8093957433495484,5.889288272216476,2.3549979577819453,0.397286624697596,0.020262053516635,9.283439914592218,2.256507846040868,6.181633601483388,0.2549106084390218,4.056190356792623,8.772717816076321,0.6206746957428214,8.517133528782448,0.5642494150195713,23.53861230404712,4.056190356792623,8.772717816076321,0.6206746957428214,8.517133528782448,0.5570429236773892,23.53861230404712,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1876,3.48966874046035,4.162655089989146,4.854736804543451,5.548765077542544,6.231558079875645,6.893803755557844,7.5295426557537155,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_24,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419469263864665,0.4853991055228804,1.274503940084968,2.496048907425688,3.6118093033455314,4.31862896261223,4.681318704863848,4.848951468774655,4.911532064449443,2.067120225118701,0.3852211970833746,0.0205075733427904,7.17729689385873,1.58065195636808,4.843979048757988,0.1376394229449997,8.554213721714508,18.59377067922847,1.1774553791367166,14.247293792937189,1.0190608189523895,42.40136630761675,8.554213721714508,18.59377067922847,1.1774553791367166,14.247293792937189,0.9658242052113744,42.40136630761675,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,5.0,11.00276,1.0,10.0,-0.3000000000000002,35.0,RSM1876,3.436234841394428,4.120084783925121,4.824526931574436,5.5310909047070815,6.225703223350413,6.898514287582387,7.543289324300665,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_25,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417340582474038,0.4845596773940406,1.2704477207111613,2.487647990297716,3.5986553268031725,4.301665015302667,4.6621441160595705,4.828697690937531,4.8908662531008416,2.0602476491738795,0.3846814188115324,0.0204465415553487,7.153285878560393,1.568872084111017,4.830889174754578,0.1351643775362751,8.307026000746994,18.04531258728456,1.157869567166421,14.254721627583525,1.0097823211790915,41.96271798899403,8.307026000746994,18.04531258728456,1.157869567166421,14.254721627583525,0.9624214510291654,41.96271798899403,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,5.0,11.00276,1.0,10.0,-0.3000000000000002,35.0,RSM1876,3.439587807748445,4.122327691665124,4.825634469265303,5.5311427380188025,6.224829688066205,6.896862996147374,7.541005998900235,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_26,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422123075303626,0.5287619747473785,1.607056545354117,3.416482350497095,5.123101950181495,6.214009917989944,6.774823106081698,7.034106241380795,7.130904892230673,2.770808307622678,0.4070292749836917,0.0204272388605301,12.528107570077108,3.563682282408996,7.925587933918286,0.4319990345078294,3.4008965899926915,7.330571406532008,0.5315105174156072,7.652980729317547,0.5168340456493634,20.201253269129044,3.4008965899926915,7.330571406532008,0.5315105174156072,7.652980729317547,0.5168340456493634,20.201253269129044,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.2497151742470254,3.920002386820837,4.612922768103551,5.310543842796949,5.998957136604364,6.668224263698954,7.31187126897747,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_27,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413492203108229,0.5054267786422153,1.4107713949492358,2.8887080827391323,4.323788041888873,5.270026372381516,5.765218942638053,5.996116068149284,6.0826284510684205,2.358488749411045,0.3952965426912819,0.0202438750090137,9.400969952905246,2.2711880443180275,6.21883640502044,0.2339471155751264,3.4234995901761294,7.423038288837244,0.5277824701275541,7.0494024102714015,0.4430031968142516,20.26744317635005,3.4234995901761294,7.423038288837244,0.5277824701275541,7.0494024102714015,0.4344838119438922,20.26744317635005,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1876,3.429545248319974,4.098812515144649,4.789151728447758,5.483040419110402,6.166900180596316,6.831062411756744,7.469274942327389,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_28,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1369224038967637,0.5702584276897497,1.7234964872165228,3.5593692514985045,5.225975630699013,6.267789589073871,6.797792021919839,7.041715036174947,7.132609726546271,2.9138526426931923,0.4328062017507251,0.0177436888227431,15.434109981374764,4.052741543200862,9.127336423554311,0.2420283213508067,1.092072871389235,2.3567718869984016,0.1733731946748146,2.479058428787752,0.1621756468874832,6.675759270290849,1.092072871389235,2.3567718869984016,0.1733731946748146,2.479058428787752,0.1621756468874832,6.675759270290849,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.2256151344988138,3.689037133631358,4.186381762652771,4.710284917355939,5.252089500155937,5.803345610083975,6.356675877608297,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_29,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412004819406819,0.5995003082792336,1.767385076263483,3.439366113690713,4.885283164005558,5.778244237644136,6.231442115424098,6.439929974493764,6.51761518757584,2.8663326397739226,0.4522591902139385,0.0187565113601287,13.398624520169314,3.603371644386268,8.056202600311389,0.2683123439623913,1.204254792718126,2.650398282286784,0.2142246632911584,2.594224689283512,0.0850205180858007,9.213467935901898,1.204254792718126,2.650398282286784,0.2142246632911584,2.594224689283512,0.080394412232031,9.213467935901898,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1876,2.928804432846632,3.4043527664405766,3.9201592975889694,4.465504626814025,5.029364945416942,5.601726549841004,6.174249184433877,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_30,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.142107486104468,0.6010901561463212,1.7781276352492583,3.4778332404504053,4.959178839759554,5.878849354237689,6.3469169263860366,6.562531012763218,6.642916730054384,2.893626979908829,0.4536116259632645,0.0189576740291051,13.231835562815435,3.67722234170986,8.099678196453247,0.426300186680544,3.133653499996098,6.714080599481129,0.4505075258019949,6.737713706412057,0.54980085807761,15.867259306159156,3.133653499996098,6.714080599481129,0.4505075258019949,6.737713706412057,0.54980085807761,15.867259306159156,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.023409166890143,3.4926639176891903,4.001945145656286,4.540637039217375,5.097857901526287,5.663722002703622,6.229981482886295,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_31,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1378620746045299,0.5654498883599189,1.63803574614159,3.35235484421124,4.954303145971241,5.973465369988119,6.496060184437719,6.737384904382765,6.82743376285129,2.743442344902602,0.4323223085123677,0.0179111829183379,14.81340033470397,3.574831207900899,8.977033932999811,0.1776094579720331,1.369944247516668,3.005576225710461,0.2651330787938428,3.4910088778674107,0.1144932158160973,11.709594277985657,1.369944247516668,3.005576225710461,0.2651330787938428,3.4910088778674107,0.1144932158160973,11.709594277985657,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.230563297608485,3.67579647430016,4.156105844628014,4.664671392775199,5.193149297982772,5.733190563469506,6.277358150272545,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_32,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1324962523230767,0.5328599251618132,1.8056960827616144,4.016664583140661,6.042201439259898,7.299039129231613,7.934539941370247,8.226077611608245,8.334561578912378,3.232055812343638,0.4013494200306403,0.0176869217282562,19.427810388593848,5.292974215292985,11.450288008905533,0.3486842857206679,1.8455813715694864,3.963625415879162,0.2743575280949519,4.040441596329103,0.30754113921711,9.977120108799202,1.8455813715694864,3.963625415879162,0.2743575280949519,4.040441596329103,0.30754113921711,9.977120108799202,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,2.03003880755532,2.482354624793274,2.99317803274221,3.548873230607069,4.135169098749783,4.738965707680802,5.34925102831752,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_33,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1475290705417102,0.6466896652164573,1.8109642160264583,3.460575321924494,4.943156049564714,5.8851841333962325,6.370086062897661,6.594572166210424,6.678437008822935,2.8885528817231405,0.4895115047178726,0.0191642644657709,12.751313381368847,3.697982187069027,7.743930185916493,0.5059633930221172,1.9491830845669664,4.2716287456389646,0.3727139793141585,4.930894919080235,0.1686465192403674,16.344063129156265,1.9491830845669664,4.2716287456389646,0.3727139793141585,4.930894919080235,0.1686465192403674,16.344063129156265,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,5.081786512486029,5.490073202141757,5.920957634626204,6.369603336344958,6.830049484269032,7.296344601520607,7.763210722025711,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_34,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1455009304835569,0.6215163818326573,1.6657576031434116,3.167265623929631,4.565341690209831,5.471908748746804,5.942843283425363,6.161718907931382,6.243617797165262,2.6396863017514023,0.4752839021852886,0.018747568363586,12.309746811068448,2.9994130845991345,7.462348868876328,0.167631384798844,0.8582660412759779,1.877250094650736,0.1604981386286949,2.1422511503055377,0.0835042691049697,6.943539497628756,0.8582660412759779,1.877250094650736,0.1604981386286949,2.1422511503055377,0.0835042691049697,6.943539497628756,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,5.340328722551128,5.732061470289229,6.145277268484172,6.576481317201504,7.020500136477834,7.471782301254915,7.925204810365747,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_35,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1454293909005536,0.6239414132683798,1.6748335950012918,3.069357473154545,4.242971539635345,4.959387234822594,5.321253070580642,5.487402729628503,5.549264971120467,2.5975615383032507,0.4761313285706992,0.0187352119257125,11.382808471032307,2.848344016945312,6.8304939887044105,0.1668438804620667,0.1827879485287326,0.4022343857107996,0.0365575897057465,0.4752486661747048,0.0127951563970112,1.645091536758594,0.1827879485287326,0.4022343857107996,0.0365575897057465,0.4752486661747048,0.0127951563970112,1.645091536758594,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,5.251442145591769,5.652326410064711,6.076598390106868,6.519406167692647,6.974685197675453,7.436364765244124,7.899066202914096,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_36,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425270157283359,0.610476043221532,1.8706562966977844,3.7947555578490566,5.5189455405212975,6.596468333897227,7.145176571447034,7.39785821481152,7.49204178511564,3.123901479917111,0.4585255544975742,0.0190321433750931,15.599113996599964,4.465846834218416,9.451757264472755,0.5201423365409881,1.774520014474796,3.856712948694091,0.3081312620815836,4.239570111127465,0.2122574347896396,12.696588273336875,1.774520014474796,3.856712948694091,0.3081312620815836,4.239570111127465,0.2122574347896396,12.696588273336875,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.0343711348118285,3.503321652828002,4.012078245487238,4.550193228259844,5.106873406218575,5.672266548048746,6.2381263913546015,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_37,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1373320794587216,0.5764800795394563,1.7666701184149958,3.743474429931384,5.596104941025758,6.767635908750908,7.365449914782745,7.640795122618286,7.7434204617845,3.038381681326131,0.4368097241890435,0.0177425278083361,17.495697089662432,4.550030532100833,10.487705538849664,0.3037175519884112,1.6362124900649966,3.598324907566768,0.3250467141822465,4.236586203522967,0.1191460203491305,14.572207542432272,1.6362124900649966,3.598324907566768,0.3250467141822465,4.236586203522967,0.1191460203491305,14.572207542432272,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.2061548121407184,3.650594587228887,4.129313038758728,4.635982592792415,5.162605937019524,5.70104941977745,6.243989841766377,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_38,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421831368959991,0.519777773472185,1.5269524653871651,3.125726615329387,4.581480875108754,5.5010035330818,5.972191614173052,6.1898424000077945,6.271076068584329,2.564546262404482,0.4023605577660074,0.0204597713135431,10.371151299394892,2.75447372933734,6.772029158170014,0.3630938542064476,3.657441832028165,7.892338006152022,0.5717271143583749,8.13029908803986,0.539893532275389,21.808206688386228,3.657441832028165,7.892338006152022,0.5717271143583749,8.13029908803986,0.538451251434599,21.808206688386228,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1876,3.475440263456664,4.15019663420113,4.842669789683794,5.536066666967119,6.217572964343462,6.878175821118306,7.512127096240546,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_39,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415167054690394,0.508466645631569,1.417252182202745,2.872012973823157,4.246616045961069,5.135332378349973,5.595701600272556,5.809359952328128,5.889257106617426,2.354773739678384,0.3972692844151025,0.020263181020486,9.28192632808051,2.2557653184748507,6.181171127134017,0.2549321729102369,4.045211595745784,8.748284966572523,0.6195375242152602,8.512961605130446,0.563957560879062,23.50216528096929,4.045211595745784,8.748284966572523,0.6195375242152602,8.512961605130446,0.5569782725313847,23.50216528096929,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1876,3.49242509386542,4.165684065710986,4.857931664151745,5.552040501304976,6.234848665943884,6.897061140993488,7.532732316608114,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_40,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419573230411994,0.4853957437488453,1.2743972932514929,2.495844225139704,3.61154716447845,4.318331657647528,4.681002256351452,4.848625814884823,4.911202910256339,2.0669428883603245,0.3852274923571414,0.0205105386215723,7.176940784998692,1.58030040154061,4.843848347163602,0.1375472723554254,8.559987738337696,18.60680361324316,1.1779911097619264,14.246103311432655,1.0188752616095698,42.41830119295619,8.559987738337696,18.60680361324316,1.1779911097619264,14.246103311432655,0.965477928680992,42.41830119295619,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,5.0,11.00276,1.0,10.0,-0.3000000000000002,35.0,RSM1876,3.4368997633401994,4.120767974726059,4.825233999322871,5.531821062851925,6.226452110063747,6.899275894764044,7.544057227897674,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_41,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418032366568063,0.4846422949553012,1.2704302591460506,2.48749142265798,3.598361205515453,4.3012671419193245,4.661687315231203,4.828212341658413,4.89037003468722,2.0601387343458937,0.3847703902312629,0.0204663917569388,7.152569318689118,1.5685873238842516,4.830433908032427,0.1351049004497059,8.304178368540438,18.038980226268286,1.157638973379698,14.25487171460436,1.009700953395397,41.957240381262,8.304178368540438,18.038980226268286,1.157638973379698,14.25487171460436,0.962409261381487,41.957240381262,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,5.0,11.00276,1.0,10.0,-0.3000000000000002,35.0,RSM1876,3.43951660154316,4.122352564597836,4.825736098522266,5.531304877579237,6.225038749168224,6.897107680960578,7.541276980025965,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_42,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422585920527434,0.5286486466869698,1.6062410851690232,3.414815131212266,5.120829977487657,6.2114144985380655,6.772076091154256,7.031292076895551,7.128066105814234,2.769412642075211,0.4069951507732371,0.0204415460850765,12.519448615681736,3.55985041913713,7.920441903426629,0.4310209614102084,3.4014167362082826,7.33159425805401,0.5314964410824572,7.653388264867939,0.517092197217605,20.19766719473059,3.4014167362082826,7.33159425805401,0.5314964410824572,7.653388264867939,0.517092197217605,20.19766719473059,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.250670043214328,3.921183418580761,4.614288872202319,5.3120539124745045,6.0005729646953405,6.669912101716125,7.313602411156303,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_43,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413117497892986,0.5054765505306552,1.4112171953767916,2.8898231548101694,4.325689045468544,5.272504700444815,5.768013033423687,5.99906002731748,6.085628955677684,2.359348221770035,0.3953018993673345,0.0202325449677892,9.404744526740808,2.2730359069291737,6.221167895489422,0.2344691926242727,3.4254808484461883,7.4273685179038385,0.5280443134515503,7.052206615881087,0.4431914976496443,20.27680462665145,3.4254808484461883,7.4273685179038385,0.5280443134515503,7.052206615881087,0.4346539442185371,20.27680462665145,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1876,3.4286562470833224,4.097818041501515,4.788073253004191,5.481900148282273,6.165718966357276,6.829858632509928,7.468064067032384,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_44,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1369619892144458,0.5700736069597887,1.7221313139960108,3.556878590968704,5.223222156292291,6.265122903599266,6.795225574694999,7.039205648101309,7.130123242853795,2.911639796075355,0.4327356095725648,0.0177560631989096,15.42599836100881,4.04602008525489,9.12512857095338,0.2409990927325231,1.090945240902783,2.354329949643219,0.1731859787156464,2.4764330706279543,0.1620241730135963,6.668292305581335,1.090945240902783,2.354329949643219,0.1731859787156464,2.4764330706279543,0.1620241730135963,6.668292305581335,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.2270367186989493,3.690466895232358,4.187805156969164,4.711690052022265,5.253466753600072,5.804687372292248,6.357976312678391,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_45,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411597827971643,0.5996297425075415,1.7682164569422834,3.4409244559757566,4.887435273910564,5.780804375060687,6.234225566573146,6.442820013155096,6.520545568857932,2.867660552054879,0.4523030739082977,0.0187450934806033,13.399776128140976,3.607214471811008,8.057118639868209,0.2698505832006321,1.2128551164666874,2.669533447299932,0.215198291761429,2.599193847287724,0.085232544490149,9.247049500523318,1.2128551164666874,2.669533447299932,0.215198291761429,2.599193847287724,0.0804432930148577,9.247049500523318,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1876,2.9283786592313907,3.403557345033318,3.919043220940468,4.464120162194803,5.027763923720638,5.599957699638771,6.172356502147919,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_46,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421052736883596,0.6011558213462256,1.7782798934376125,3.477884694260474,4.95905261279845,5.878599770740396,6.346603795703663,6.56218867337467,6.642563525210028,2.8937316535092514,0.4536527215533127,0.0189558290664147,13.228583006825868,3.677805722451091,8.097374571500165,0.4269076649998768,3.133890225422805,6.714559001411426,0.4505136319865194,6.737999281314959,0.5498945619302872,15.866503111942333,3.133890225422805,6.714559001411426,0.4505136319865194,6.737999281314959,0.5498945619302872,15.866503111942333,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.024514697051671,3.493832309317974,4.003165622035705,4.541895886253553,5.099140516060107,5.6650143350447415,6.23127089247419,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_47,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.137847633603923,0.5653410463189819,1.6372960842908566,3.350660620226863,4.952032620116664,5.970975624030429,6.493497032617958,6.734796099344939,6.824836670301808,2.742049095852225,0.432261049754002,0.0179070671955225,14.80436516318837,3.5706686011866138,8.973012622415002,0.177136430739432,1.3645264354856452,2.993672556058932,0.2640676119808983,3.477067331332832,0.11407596822808,11.662100661234648,1.3645264354856452,2.993672556058932,0.2640676119808983,3.477067331332832,0.11407596822808,11.662100661234648,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.2314253734953406,3.676692042381536,4.157046111143741,4.665659824291751,5.19418338026253,5.734263902086652,6.27846230574183,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_48,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1323942090758531,0.5325115116404942,1.804461269273289,4.014628525146561,6.039886024646467,7.296663078497958,7.932153761644947,8.223690327597387,8.332174385038718,3.230223788026428,0.4010991620980935,0.0176605990054735,19.41802801594637,5.287098402810164,11.446250874608236,0.3477090952741161,1.8427596727224007,3.957589746033956,0.2739616281669058,4.034452698057648,0.3070267601941379,9.963515608071402,1.8427596727224007,3.957589746033956,0.2739616281669058,4.034452698057648,0.3070267601941379,9.963515608071402,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,2.032678703063655,2.485667184189011,2.997150772463224,3.5534519681849166,4.140272242372696,4.744497588642488,5.355112347902347,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_49,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1475162681814946,0.6466495637240797,1.811119799157504,3.461148643094054,4.944100708070478,5.886359567036728,6.371379960377839,6.595920994478633,6.679806384256885,2.88897944787359,0.4894698143739158,0.0191628503917147,12.753853788028074,3.699336432874353,7.745398813922777,0.5064685318394796,1.95274700698936,4.279535169905288,0.3734886896011888,4.940656523798871,0.1687793792080845,16.380473237136417,1.95274700698936,4.279535169905288,0.3734886896011888,4.940656523798871,0.1687793792080845,16.380473237136417,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,5.08119013775911,5.4895933684327805,5.920566597149762,6.369279893863665,6.829777575848798,7.296112141804677,7.763008661883159,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_50,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1454684198540107,0.6214927247979557,1.6660912724838963,3.168508747735565,4.567941570173915,5.475594907797282,5.947140822706092,6.166309577208403,6.248319475685905,2.640543886729219,0.4752372173054082,0.0187411958949776,12.31467874450869,3.001333681934576,7.465109819377051,0.1679046693853375,0.8583124134612644,1.8773627452748087,0.1605177832591471,2.142454679534441,0.0834857377518106,6.944682760833975,0.8583124134612644,1.8773627452748087,0.1605177832591471,2.142454679534441,0.0834857377518106,6.944682760833975,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,5.339903093937608,5.731735143581964,6.145038387691055,6.5763200722700725,7.02040723154244,7.471748446609332,7.925220703031325,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_51,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1453134858648926,0.6236453980123197,1.6743745839342554,3.068838622225699,4.242412007489747,4.958786636000057,5.32062501051998,5.486760396538075,5.548617047525688,2.5970566569121027,0.4758797765467987,0.0187078745433785,11.381968527896625,2.8472222944814094,6.830440310040236,0.1665916957742975,0.1833801118555801,0.4035374719040205,0.036676022371116,0.4767882908245083,0.0128366078298905,1.650421006700221,0.1833801118555801,0.4035374719040205,0.036676022371116,0.4767882908245083,0.0128366078298905,1.650421006700221,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,5.250902205415176,5.651941491535872,6.07634474070186,6.519263208225758,6.974635073527649,7.436392160380813,7.899158194353826,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_52,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425673113658333,0.6105159805804932,1.8704489735236105,3.7940703271698,5.51774347269394,6.594894063459279,7.143398453157998,7.395983078866548,7.4901299892033455,3.1233928531025894,0.4585785580970041,0.0190428121384215,15.59410206880498,4.464578424480033,9.44892364398747,0.5202059918481836,1.7765176795034967,3.86138855948488,0.3088021974810316,4.24693525935175,0.2118836582520133,12.733565426154732,1.7765176795034967,3.86138855948488,0.3088021974810316,4.24693525935175,0.2118836582520133,12.733565426154732,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.035573972174636,3.5048028870584984,4.013781042144125,4.552064882039667,5.108866919198618,5.674341358445137,6.240248448995772,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_53,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1373480551484477,0.5766174894498362,1.7669400680397265,3.7431506228075406,5.595052973690619,6.766192287341452,7.3638405114144785,7.639118015566285,7.741719564872316,3.038324375106821,0.4368987052281167,0.0177458824172204,17.48834337380414,4.549438479910329,10.483565684828308,0.3041691378732408,1.6297524169471973,3.584117790365325,0.3237631175825409,4.219857357607523,0.1186761373807905,14.514656146041878,1.6297524169471973,3.584117790365325,0.3237631175825409,4.219857357607523,0.1186761373807905,14.514656146041878,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1876,3.2053964787972204,3.650025968798248,4.12887747396634,4.6356414175821055,5.162333751868358,5.700830399139685,6.243814949674012,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_54,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.154126242514803,0.7761164805401164,1.9020965003397468,3.4947636641361624,4.972696064114099,5.9123521415659885,6.39345043086247,6.615379777730377,6.698149214882218,2.9328132834922584,0.5984761046704804,0.0094188562174149,8.529471434658182,4.148461580264539,4.959583972137062,1.2605108669966736,1.048625430990343,2.0934547670281054,0.0020646150207218,1.0651423511561178,0.4627671636268493,5.284419455366152,1.027979280783125,2.0480218398973107,-0.0020646150207218,1.0114623606173505,0.461321933112344,-5.284419455366152,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,6.857115352382981,7.645080623171721,8.428738150564842,9.202292314850055,9.960658121530074,10.69932717220987,11.414438032893925,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_55,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1120158165665929,0.7637854443845077,2.3630804205408835,4.63900497792172,6.602354612670938,7.804197424072262,8.410196631852394,8.688032755015003,8.791403376624858,3.85802080510063,0.5526841402019171,0.004339260144053,16.95185061302681,7.0245591906761184,10.445768066770608,1.993013571910968,1.3456652841482557,2.9276340830815992,0.2363078101623854,3.236127765447339,0.1631295878916356,11.454482623988987,-1.0174128174755992,-2.2724421596029774,-0.2363078101623854,-2.9078752987746834,-0.002285879222034,-11.454482623988987,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.339955212428044,8.176064234559485,8.993230580453956,9.788463920450567,10.558988542167183,11.30218055010768,12.015732584708186,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_56,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1018231468249936,0.7315084053609531,2.171476342841145,3.9577749761582046,5.39474183706226,6.259951355483385,6.695684331399319,6.895639170112021,6.9700811077609846,3.3666153322503893,0.526506051272951,0.0037033180671453,10.854322004869456,5.2085738855773736,6.7338086978879295,1.7218660864394864,0.3874789497104899,0.8497635006131042,0.0746790596191972,0.984911426664068,0.0324048958351731,3.4309759409363947,-0.3593116464814826,-0.7935880394183336,-0.0746790596191972,-0.9567441234350608,-0.0198704458982648,-3.4309759409363947,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.893226869207355,8.687401437833463,9.465831040788355,10.225969698034389,10.964871945489756,11.679540715579638,12.367272479687944,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_57,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1023776852415771,0.7331521256666801,2.174005177867904,3.960492839196688,5.392904758858919,6.251823476383114,6.6832285677254495,6.880929883188319,6.954489647713618,3.36966042093566,0.5279455880150086,0.0037419091250624,10.82004535465856,5.221051488880448,6.691837828021615,1.7239529957882245,0.7284476705853741,1.5694641826589335,0.1131750136535944,1.6338477798141302,0.1119560628100018,5.90573862599876,-0.4033024659505707,-0.9210108437955132,-0.1131750136535944,-1.3087025751793266,0.0327335532524857,-5.90573862599876,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.886475247152483,8.681287407540456,9.459531731077394,10.218984654150628,10.956940903730423,11.670571612445308,12.357284087809186,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_58,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2158815792519858,0.8969763966781493,2.2022253661721023,4.089453628882375,5.777925367644543,6.82287249877216,7.350819409905053,7.592920356379798,7.682992073694908,3.430643256696798,0.7039522123885116,0.023418505776861,13.045579749097596,5.647484477053602,7.9749163674728925,1.733988320271149,2.037042949951654,4.4826189376020125,0.4074085899903308,5.2963116698743,0.1425930064966156,18.333386549564885,-2.037042949951654,-4.4826189376020125,-0.4074085899903308,-5.2963116698743,-0.1425930064966156,-18.333386549564885,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.551581537093938,10.331608676123237,11.08917487565633,11.81990488466277,12.52019391907894,13.187468133504437,13.820186456335906,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_59,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161787830661503,0.8995883134231236,2.182370677254356,3.986005750804708,5.597007954961354,6.601292188258441,7.111467644457057,7.346081305314587,7.433475643872568,3.3588018258731664,0.7061114619474522,0.0233001676773806,12.17195226947184,5.447784031610476,7.466460688705997,1.7164811199976804,2.07826372870136,4.568289268162871,0.410766142740918,5.364392870628705,0.1546408416328835,18.60664149832516,-2.029397698707821,-4.470833301245257,-0.410766142740918,-5.315526840635166,-0.1328954582857588,-18.60664149832516,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.479094825518654,10.25486546053991,11.008389316679477,11.735506526552763,12.432776428372469,13.09771995333602,13.72882703688993,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_60,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217967826169757,0.8956382492625834,2.107192601264756,3.722431659236654,5.0961805612544255,5.924053351186312,6.337128597410771,6.525504390175112,6.5954276700602605,3.1706303509081137,0.7061155720236739,0.0236194842903775,10.029376211700804,4.861691416460405,6.115408970515611,1.6166991917784843,2.27719093545283,4.998177576715276,0.442926678300816,5.820604361859359,0.182862444462479,20.244488243280472,-2.1520758475553308,-4.748654301166898,-0.442926678300816,-5.695489273961859,-0.1271862303480918,-20.244488243280472,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.460782893394054,10.238274623028811,10.994802049930254,11.725383068034992,12.426117529805122,13.094280357775355,13.728241079797622,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_61,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1544841518882841,0.7774356803534215,1.905105953447906,3.496055535639167,4.969490695946449,5.90573954302578,6.385034293899257,6.606126846591969,6.688583943932783,2.9352419900324653,0.5995149416446292,0.0094497679247389,8.51787203068689,4.163253571623202,4.948645811764428,1.2667032307021742,1.1311890649460237,2.2782152972804712,0.0215598157198949,1.3036675907051831,0.4629544794261775,6.087141639128017,0.915590907747074,1.803780341260008,-0.0215598157198949,0.7431123819879143,0.447862608422251,-6.087141639128017,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,6.841701616075492,7.622777255116595,8.400618068008631,9.169272917485188,9.923574194175703,10.658954143216215,11.371492659871068,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_62,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1015561818818079,0.7308791040212084,2.1772996879594984,4.003208935252479,5.506750277549521,6.426837883037625,6.894035829392294,7.1092295826990615,7.189468842535035,3.3939254681468416,0.5258722043373505,0.0036811264501825,11.252833126483536,5.312965195546683,6.961636628685609,1.7293408691789207,1.021897298936785,2.2252148099112654,0.1815636432010244,2.47440644454498,0.1143124670249484,8.740759358704413,-0.793739133073459,-1.7701875718217412,-0.1815636432010244,-2.246248278681654,-0.0127820832157684,-8.740759358704413,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.902604750314296,8.694820325515787,9.47183743745897,10.231106548055411,10.969593166347504,11.684185770249556,12.37207154016672,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_63,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178565684916696,0.8955219736664135,2.106033610253766,3.7223669807426254,5.103994872256393,5.940973141632639,6.35997262935279,6.551368460299412,6.622464304146762,3.1694614008230086,0.706045929483078,0.0235629063184052,10.068626968097346,4.863385516295399,6.147962245879856,1.6154383443047595,2.373055398270449,5.211926231733453,0.4648094569332817,6.091531053736702,0.1844919204804465,21.161466130017875,-2.2750391710623674,-5.016447569001016,-0.4648094569332817,-5.99351482652862,-0.1408746993728503,-21.161466130017875,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.45446804247146,10.233431439540968,10.991017533642689,11.72234697883163,12.423599865565045,13.092113491797011,13.726305290355002,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_64,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2159242734511197,0.900757994754531,2.255628364353852,4.309288588371389,6.20394242462766,7.392857914907408,7.9969515480350015,8.274612732552999,8.378009284437667,3.582626095471986,0.7056687810719615,0.023389671199174,14.76881979428401,6.326508004661557,8.870877881194938,1.8030136370061995,2.1121560029964908,4.647909116705934,0.4224312005992982,5.491605607790876,0.1478509202097542,19.00940402696841,-2.1121560029964908,-4.647909116705934,-0.4224312005992982,-5.491605607790876,-0.1478509202097542,-19.00940402696841,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.427125858496469,10.226709610380292,10.999799644291594,11.74306161588929,12.453626835334704,13.129440148867523,13.769330635128227,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_65,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.15468316437023,0.7777322781549316,1.9085931244465264,3.517923052649989,5.015705640283906,5.96936117107464,6.458008244127843,6.683505668762725,6.767619668628993,2.949309186363404,0.5998416356729749,0.009474439318918,8.658386442512729,4.212234851585773,5.025859794153439,1.2698700140401424,1.1550952131704564,2.334722602500757,0.0301243092833809,1.3960896874375035,0.4575342899545138,6.377962251519898,0.853852120336647,1.671821512079133,-0.0301243092833809,0.6128576460695998,0.4364472734561472,-6.377962251519898,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,6.834300007125719,7.618261685606956,8.398389864902814,9.168847740672764,9.924551986722784,10.661004195163676,11.374343967126908,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_66,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1542963877668948,0.7766081824888799,1.906915596395254,3.520639820385094,5.032213914069111,5.99917350871058,6.495802180856191,6.725223308195076,6.810837894012042,2.9493117393534805,0.5988659728198823,0.0094373525789073,8.720565238778342,4.21701633467574,5.0661997609268665,1.2692832159549856,1.048795200496732,2.0999917801383408,0.0080766161605447,1.1134081297810898,0.4515702089200245,5.405508325694555,0.9680290388912844,1.9222616416851497,-0.0080766161605447,0.9034161096069264,0.4459165776076431,-5.405508325694555,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,6.849268613953043,7.635160157545573,8.417509323469911,9.190314948976498,9.948334598950924,10.686942017860272,11.402188791394805,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_67,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2164680859935525,0.9025484558645888,2.1996185620430526,4.0419907838302525,5.716850210037624,6.776742176360566,7.319748499871856,7.570470161243114,7.664025058092507,3.3979518296390885,0.7079058331727244,0.0232930178226608,12.553627911313786,5.61223658750358,7.643384327719715,1.74398857613713,2.0056894903628275,4.413422344962799,0.400942289461492,5.213227806054763,0.1407650304711607,18.047293241043977,-2.003733404252092,-4.409521224627853,-0.400942289461492,-5.211271719944027,-0.1398945721518834,-18.047293241043977,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.459684425920592,10.232673112818649,10.983659290476494,11.70869338392934,12.404402683069582,13.0682941536813,13.698802777608782,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_68,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1108322059127481,0.7639197795126448,2.4137618749074736,4.86037832323464,7.032270214857258,8.380580957463831,9.064648745055509,9.379109577691942,9.496232752635295,4.010396291720365,0.5512400712048473,0.0042497266767961,18.796454862460607,7.759971844706769,11.370493101269783,2.067555317034515,1.4135130504516822,3.0741317102346257,0.2471348718497686,3.3905920252498314,0.1736381638368099,12.010262689253782,-1.0578356680460042,-2.3641996549528934,-0.2471348718497686,-3.0349146428441536,0.0006437535419721,-12.010262689253782,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.243171650330925,8.086648928582061,8.913498846794209,9.719536041278426,10.501095258869748,11.254948847696657,11.97841787008426,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_69,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025972558218701,0.7335590354960763,2.174708981471438,3.9695349169049226,5.420904597495141,6.297370829042339,6.739323673917832,6.942234905162473,7.017792401113155,3.374367093560158,0.5283743105543681,0.0037589710384871,10.93126462954208,5.238498886875167,6.771367685763246,1.724361749675997,0.7842511643647087,1.7120353218498132,0.1435136537948773,1.9323603947237271,0.0799036672769003,6.79152889772109,-0.6508853735840642,-1.446057257006435,-0.1435136537948773,-1.7989946039430826,-0.0205558903795136,-6.79152889772109,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.897645358446301,8.688198465288224,9.462491104068294,10.21843123245936,10.953366370382875,11.664469537563823,12.349119369999585,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_70,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3170960639358008,1.2559560729982102,2.9616385656497486,5.122804742512963,6.918330328588429,8.001841586064508,8.544979118823715,8.793384760547827,8.885714454236396,4.395162851825718,0.989395252484462,0.0378124805821356,17.92529240283352,10.48148098096782,9.096112460850344,2.603078569219548,2.9868649092294968,6.522946633630857,0.5486763999460096,7.376276108797573,0.3113433656358334,25.90785254506768,-2.499899090230598,-5.550962858909055,-0.5486763999460096,-6.889310289798675,-0.0727301143263728,-25.90785254506768,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.57705249662426,10.328300823344776,11.067280376989451,11.78754701915905,12.483071224258351,13.14905712769063,13.782201510942492,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_71,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3158282127814757,1.2450414267282486,2.913483131368411,5.062066474120039,6.904304529132804,8.039280271821086,8.613980613819868,8.878002252706764,8.976317718266465,4.330549895125388,0.982118456520208,0.0380147492980884,18.05615303081883,10.23232636053844,9.424141810683128,2.5667156136167084,2.9385337709545043,6.4147193677815455,0.5371797498497741,7.235971769752697,0.3118040730831815,25.436263851768004,-2.4332637275432365,-5.406200361132656,-0.5371797498497741,-6.7307017263414295,-0.06422175181166,-25.436263851768004,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.682080925681872,10.452481263707734,11.207367036642394,11.939838971436258,12.643968192147542,13.31533718392026,13.951129851229492,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_72,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1990686254927902,1.0769322852576757,3.1378820157187457,5.86321263894006,8.081521191269726,9.39287165626866,10.04260261344403,10.338113410538307,10.447692660756362,4.949554006125164,0.7950029715946684,0.0192686946991303,23.81300040111818,12.895853212268651,12.312222377590915,2.963629628162685,2.171192568640436,4.727914156708127,0.3854411491472273,5.254721761818253,0.2544579454246358,18.564785826146725,-1.6832189228318375,-3.753918759674166,-0.3854411491472273,-4.766748116009655,-0.0153508589784229,-18.564785826146725,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.650268042213177,8.465021509356305,9.283145812213167,10.094130667456652,10.888018171314428,11.656525413718196,12.393454000428246,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_73,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4255167919745438,1.4141501369737492,2.8515651910289708,4.556224142697079,5.9733808225175045,6.8380003347311495,7.274901113288635,7.475559207707191,7.550279835572351,3.984567619147328,1.1590856146320971,0.0568749856365717,13.68098425377471,8.99185268140991,6.519966394208402,2.362014855963214,3.8375321970967127,8.441534049061305,0.7644215491965519,9.952904590669128,0.2751055232646299,34.476091969414604,-3.806683294868806,-8.379959640214404,-0.7644215491965519,-9.92205568844122,-0.2599895611729557,-34.476091969414604,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,13.1395391454473,13.75395571836053,14.333991853377436,14.881790631125478,15.398173286067768,15.88360552809361,16.338673001767596,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_74,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3149741107961269,1.2314718106126603,2.9668644978862506,5.38168007666498,7.483262303080863,8.766702419568418,9.411378304970288,9.706270203541802,9.815870953548911,4.548792050698346,0.9721591207505612,0.037973317716512,21.17790889365397,11.203736861747895,11.145852473506832,2.668768580552793,2.8706795297415937,6.265351032555508,0.5235584997372669,7.059147527639729,0.3071601201251203,24.824567643453307,-2.3649054676310746,-5.255826004582913,-0.5235584997372669,-6.553373465529209,-0.059330829690966,-24.824567643453307,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.397463650537627,10.185368486980307,10.961758417443471,11.717218549746192,12.44414787870376,13.137130380140006,13.792828753814897,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_75,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1542016016474287,0.7762472174536007,1.9022104366462027,3.494885108980541,4.97284455498772,5.912526675840616,6.393641152364849,6.615578635727927,6.698351216553309,2.9329288194927647,0.598604119329613,0.0094299138727471,8.52956456878298,4.14895183327667,4.959503388333669,1.260713828901971,1.0478389659574414,2.091735834191511,0.0019186937413675,1.063188515888382,0.4626907890859975,5.277568704614559,1.0286520285437664,2.0495139806919727,-0.0019186937413675,1.0133024786128255,0.4613477034670402,-5.277568704614559,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,6.856297434833785,7.644633092383819,8.428545653875835,9.202270702158083,9.960746276735817,10.699481204753312,11.414626947604289,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_76,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1119871139299308,0.7637736368408817,2.3635806551872443,4.640058655743813,6.603532713548382,7.805335620878536,8.411290700372748,8.689102177436073,8.792462985867031,3.8589383924556566,0.5526423235096045,0.0043370289612262,16.95974919583371,7.028361983883325,10.44882478631268,1.9937178988694608,1.3457211853210949,2.9277522886392022,0.2363142895090709,3.236235501393662,0.1631433728382873,11.454891716786893,-1.017421709769615,-2.272466535438449,-0.2363142895090709,-2.9079360258421825,-0.0022766298180621,-11.454891716786893,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.342730182691844,8.178703448501764,8.995756930045644,9.79089206191571,10.561327651435905,11.304436221953088,12.017908183830771,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_77,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1017981702211896,0.7314517529870798,2.1714673487941325,3.9579014704673647,5.395141717262143,6.260610100644942,6.6965003216218655,6.896533124363168,6.971004998208366,3.366678942627913,0.5264499498776319,0.0037015718036187,10.856375905580204,5.208644741787352,6.735620692708241,1.7218484099244398,0.3873631395468258,0.8495673102350254,0.0747127892841131,0.9850654538197312,0.0322901171906252,3.431071483416392,-0.3597647532943061,-0.794526468612313,-0.0747127892841131,-0.9574670675672116,-0.0200088353082539,-3.431071483416392,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.89234067380773,8.686621957826056,9.465148500468317,10.225373313417554,10.96435096444646,11.67908506614147,12.366873091708174,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_78,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1023929415320429,0.7331831652967112,2.1740901532782715,3.960770607043123,5.393520396995996,6.252729325908121,6.684303466199604,6.882087138308185,6.95567830303257,3.369850515219736,0.5279725343608316,0.0037438835652542,10.822550715152827,5.221597726753815,6.693498690863691,1.7241194770921175,0.7276195419667622,1.5679320708836677,0.1132908869576975,1.6339466376283427,0.1113702831295261,5.903915448987761,-0.4052893276102136,-0.9250928078816854,-0.1132908869576975,-1.3116164232717942,0.0320666622591379,-5.903915448987761,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.888670861470411,8.683179501931766,9.461132365063214,10.220312685851976,10.958019520717873,11.67142620657746,12.357940573411105,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_79,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2159425962212686,0.8970670511574712,2.202664190073337,4.09066309231684,5.779712925237687,6.82493862909338,7.353003767771254,7.595154069369695,7.685243385708312,3.4315891059148766,0.7040317340550016,0.0234373659168818,13.054883097804485,5.650247588409698,7.980407815377216,1.7346576840211871,2.036731679237306,4.481933970209012,0.4073463358474612,5.295502366016996,0.1425712175466112,18.330585113135754,-2.036731679237306,-4.481933970209012,-0.4073463358474612,-5.295502366016996,-0.1425712175466112,-18.330585113135754,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.550598359178624,10.330920141064654,11.088726850193227,11.819652523453207,12.520099943328256,13.18750157141474,13.820321638816203,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_80,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161639846458359,0.8996193241082165,2.182581585604983,3.986553534050456,5.597759962930646,6.602099651118711,7.112281078672259,7.3468924846081,7.434285182872539,3.359238527499904,0.7061276961610949,0.0232897833785372,12.175916098612404,5.449235284752086,7.468854768422001,1.7168249406610858,2.0813351177235537,4.575112113820497,0.4114425871606743,5.372875815008949,0.1547392764607169,18.635527331831256,-2.0330907538831897,-4.478895966795467,-0.4114425871606743,-5.324631451168584,-0.1332705345517548,-18.635527331831256,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.482666481928591,10.257874863957069,11.010911964008962,11.737606915267138,12.43451117900192,13.099139279050934,13.729975475927882,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_81,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217946357133091,0.8956197273636556,2.107192067650784,3.72246753769736,5.096254426025969,5.924155739164961,6.337247417268765,6.525631258647885,6.595557619402113,3.170652979248663,0.7060952570534945,0.0236115647809873,10.02969246829027,4.86171000763693,6.115642246113415,1.6167062828136955,2.273470850372067,4.989903057134851,0.4420970375605658,5.810247150856594,0.1827625829895085,20.20929500307165,-2.147499525233592,-4.738672144844934,-0.4420970375605658,-5.684275825718119,-0.1267053433028872,-20.20929500307165,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.45850618530504,10.236342415225389,10.993126813043416,11.72389926842514,12.424777025621532,13.093048395059094,13.727092944891846,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_82,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1544918940605989,0.7774257277470976,1.905225333992236,3.4964418288671184,4.970075316517191,5.90643328793837,6.385781281701041,6.606898048238896,6.689364136836654,2.935539779147546,0.5995053629834581,0.0094530569330427,8.52001431883686,4.1641927499382,4.949748512366151,1.2669472280651255,1.1303524351098304,2.276339708631312,0.0213589874686192,1.3012243348587846,0.4629587321202136,6.078941924921538,0.9167625604236382,1.806324082710861,-0.0213589874686192,0.7458906606746842,0.4480074408921801,-6.078941924921538,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,6.845416927685916,7.626142983608807,8.403680471055456,9.172069295515756,9.926135864371153,10.661307913685922,11.373661666510566,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_83,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1015876453068753,0.7310143229088857,2.1776008358957046,4.003775626894096,5.507679401788936,6.428052009281721,6.895409845224284,7.110680234773434,7.190948519353965,3.394384985488132,0.5259782952484956,0.0036831664555465,11.257304500215266,5.314402733928138,6.964771741518339,1.7298310131032586,1.0214276675037457,2.224251617062872,0.1815378593580832,2.473730542368412,0.1141518257427605,8.737895524680392,-0.7939509260770871,-1.7705833777986164,-0.1815378593580832,-2.246253800941753,-0.0129246758078976,-8.737895524680392,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.903284262729907,8.695274923992962,9.472067725757729,10.23111880466714,10.96940010794979,11.683805273751949,12.371524743087846,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_84,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178478889003882,0.8955467599578025,2.1062877556011275,3.7229220509452,5.104727826631303,5.941787877805576,6.360823079112183,6.552234287062651,6.623335708464479,3.1699254916762314,0.7060527709336518,0.0235593407100741,10.071614809103435,4.864555705638019,6.149618964446032,1.615781848933579,2.37397048882587,5.213960926132424,0.4650128337674227,6.094073158965252,0.1845178042135942,21.170109119477804,-2.276157848848358,-5.018888287593273,-0.4650128337674227,-5.99626051898774,-0.1409911794236014,-21.170109119477804,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.455420380864396,10.233998558473845,10.991265034424613,11.72233082475615,12.423368082932742,13.09170726964922,13.725759797550957,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_85,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2159572560192709,0.9009218420065944,2.256359037281841,4.310843453439022,6.206057779791628,7.39525591056307,7.99947798245023,8.277195282569238,8.380612295010078,3.583918126739682,0.7057834753964648,0.0233919267252006,14.779684803903177,6.3306174515181945,8.877109631657088,1.804055237031772,2.112326643375801,4.648284619733905,0.4224653286751602,5.492049272777083,0.1478628650363059,19.01093979038221,-2.112326643375801,-4.648284619733905,-0.4224653286751602,-5.492049272777083,-0.1478628650363059,-19.01093979038221,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.430410704066285,10.229640026575035,11.002407067090145,11.745375557026437,12.45567563273384,13.13125095852433,13.770929163026864,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_86,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1547674430025157,0.7779633361218765,1.90902112988554,3.518700219411957,5.016825688609618,5.970699752110378,6.45945876954228,6.685007886986992,6.769141178541933,2.949958255509327,0.6000417821221197,0.0094833330048027,8.662333419725599,4.213875578351612,5.028064557974247,1.2704139287553484,1.1539159326712116,2.3321538170132308,0.0299139452482514,1.3932274946572232,0.4574039426982177,6.367858568321088,0.854776480188697,1.673881896573928,-0.0299139452482514,0.6154649182026851,0.4364641810244417,-6.367858568321088,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,6.835851890410475,7.619197397334258,8.398838405387952,9.168904709013558,9.924292399958254,10.660489252820732,11.373624681163362,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_87,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1543474416860001,0.7767478397974373,1.9071823116603288,3.5211096490661697,5.03286553723856,5.999932533676661,6.496613540734873,6.726058209455835,6.811681479137681,2.949709531360563,0.5989861809681808,0.0094429387727905,8.722814198977435,4.218169215641871,5.067391127627308,1.2696671489424405,1.049126784698947,2.1007031833905816,0.0081252173366277,1.114128523391969,0.4516266366848543,5.4081382702272895,0.9678746113326692,1.921903550785072,-0.0081252173366277,0.9028728726396468,0.4459389845492149,-5.4081382702272895,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,6.847518348171332,7.633461024078002,8.415866467770554,9.188723791591809,9.946788090763915,10.685433899367665,11.40071467732849,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_88,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2164744911565048,0.902521150564236,2.199605445765344,4.042107182275863,5.717016128770392,6.776880176458458,7.319853987682574,7.570556584045793,7.664103722660415,3.3980247262151444,0.7078873090101292,0.0232992593815806,12.555749285629489,5.612544370551123,7.645195963623796,1.7440027181246107,2.0057302439172053,4.41351923060582,0.4009574287829805,5.21338967418105,0.1407547795750678,18.04779979524564,-2.0038440439126,-4.409757487626634,-0.4009574287829805,-5.211503474176443,-0.1399154205730182,-18.04779979524564,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.458373122092652,10.23149705259777,10.982608970123714,11.707756574524048,12.403566494497394,13.067546184435669,13.698131682819776,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_89,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1108589058242332,0.7640297179191609,2.414171261366429,4.861094439654042,7.033116800728599,8.38147254825705,9.06555702589698,9.380024537500312,9.49715006514657,4.011030110972585,0.5513204930591319,0.0042519161500884,18.803093773268447,7.762444636078996,11.373982948950172,2.068120266133729,1.4133399808952751,3.073745987177348,0.2470954919144066,3.390103916210529,0.1736360576184308,12.008609742764513,-1.0576149382487914,-2.363718802054966,-0.2470954919144066,-3.034378873564045,0.0006692132783463,-12.008609742764513,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.242905285592149,8.086239740483487,8.912958451570123,9.718878542669444,10.500336629542218,11.254105901464326,11.977507267455804,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_90,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025881770639676,0.7335982936221681,2.174917132424924,3.969913473342882,5.421453959287659,6.29806284771287,6.740101678559792,6.943055729530497,7.018629716528033,3.3746895062943323,0.5283910607058938,0.0037573227787811,10.933761132900994,5.239497556046056,6.772860449444334,1.7247106558308123,0.7840328319146871,1.7116222977803144,0.1435353870973687,1.9323159286936369,0.0797657593944694,6.79087190152081,-0.6513210390590001,-1.4469485336985748,-0.1435353870973687,-1.7996041358379498,-0.0207090115736886,-6.79087190152081,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.897803689989525,8.688163272335727,9.462278572159589,10.21805897520626,10.952853313769117,11.6638352609965,12.348383307442951,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_91,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3171697127569265,1.2562635179842885,2.9626494754806108,5.124450452262459,6.920177150055292,8.003708699889751,8.546835833404097,8.795232961001181,8.887558943943722,4.396647983873687,0.9896196562748428,0.0378242973278275,17.935373320251774,10.487589913766266,9.100139032171278,2.6047903563213928,2.986361934257039,6.521846824597622,0.5485826624238068,7.375023233647493,0.3112937566959547,25.903462919761328,-2.4994646899810284,-5.549999925022705,-0.5485826624238068,-6.888125989371483,-0.0727141070007095,-25.903462919761328,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.573624897101045,10.325171325272354,11.06440333817122,11.78488702736255,12.48060094971149,13.146755180464725,13.780050731075962,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_92,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3159275981647791,1.245264452766393,2.9138770141674404,5.062674734233852,6.905082346042898,8.040148414606115,8.61488893546162,8.878927630425416,8.977249211672776,4.33108615132867,0.9823124230067432,0.0380375737969192,18.06174044779973,10.234323401075514,9.427952600448734,2.5672471656616755,2.938325002616634,6.414275469071305,0.5371531579730391,7.235550266400947,0.311757619538768,25.43468817254396,-2.433206577113758,-5.406059091767566,-0.5371531579730391,-6.730431840898071,-0.0642495910423589,-25.43468817254396,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.68181256436233,10.452238350189344,11.207129348439535,11.939596321735742,12.643716504930945,13.315075908948092,13.9508603176957,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_93,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1991232898263789,1.077109891233777,3.1383965659578394,5.8640981169462485,8.082532064444896,9.393891002002292,10.043611432895544,10.33911461018868,10.448690612953683,4.95034093791066,0.7951454410856901,0.0192752856502743,23.820231799661027,12.899477625300332,12.315993638743524,2.964499402357369,2.170673353292762,4.726763631648037,0.3853295186316293,5.253309502345797,0.2544379539870315,18.5599571390964,-1.6826218330235314,-3.7526127971906544,-0.3853295186316293,-4.765257982076567,-0.0152927090551087,-18.5599571390964,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.644819364498235,8.459560215068315,9.277710137438408,10.08875600245935,10.882735712865092,11.651361297496784,12.388429003428165,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_94,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4255508963546555,1.4142233652042036,2.851885176516432,4.556811115085951,5.973939112978048,6.838417706747086,7.275214379821105,7.4758177267239905,7.550516889934339,3.985095278497024,1.1591415893608985,0.0568852702485462,13.685362151935296,8.994369293772808,6.522405284311629,2.3628502129518014,3.837130155743959,8.440647059161801,0.7643389146005529,9.951841472548384,0.2750820556533785,34.472429070730854,-3.80625899026157,-8.379028212858957,-0.7643389146005529,-9.920970307065993,-0.259955184567008,-34.472429070730854,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,13.14361008754641,13.757578785208135,14.337222655697117,14.884675074932472,15.400751185127763,15.885912219617474,16.340740079247137,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_95,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3148939704894868,1.231443951028871,2.9671899745980936,5.382506495238706,7.484530107789676,8.768247174139013,9.413063953123466,9.708020615012156,9.817645478736983,4.549446721650428,0.972095849178976,0.0379500755526551,21.18607473967452,11.206213157740326,11.150493879916729,2.6690312523317066,2.8703166513094485,6.264579035041293,0.5235118688916583,7.058411602442717,0.3070802344691473,24.82182063438041,-2.3648020376071344,-5.255571866091472,-0.5235118688916583,-6.552896988740401,-0.0593780737550131,-24.82182063438041,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.398982948333382,10.186439446005394,10.9624845027162,11.717680949280595,12.444410049635492,13.137241638996638,13.79282721930379,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_96,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1541876503089261,0.7762417960845724,1.9023737335147508,3.4955260423056265,4.974015018318559,5.91404992643303,6.395348294151204,6.617371281062825,6.70017585723537,2.93338357280021,0.5985903502735666,0.0094275802606748,8.533980036570343,4.15021238120198,4.962085082821154,1.260894149723949,1.0485659398201093,2.09335963343048,0.0020874204423281,1.0652653033587347,0.4626979298905833,5.284578107947111,1.0276917353968276,2.047424861138418,-0.0020874204423281,1.010992371858202,0.4612367355809536,-5.284578107947111,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,6.857736702349456,7.645532547027326,8.429058066872523,9.202504294744871,9.9607793002228,10.69937101423674,11.41441590568797,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_97,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1120297858483312,0.7638256216786746,2.363143511939836,4.639134109114413,6.602601327716194,7.804537636086575,8.410588505376776,8.688449140286865,8.791829001318893,3.858118549387098,0.5527188012620615,0.0043403465705169,16.955508768226764,7.024345410806257,10.44874297890548,1.9930630470028408,1.3446065141402854,2.925295912619956,0.2360879486839004,3.233310103611489,0.1630724996925488,11.444791544379436,-1.016272972698719,-2.269942163902589,-0.2360879486839004,-2.904976562169923,-0.0021890643861813,-11.444791544379436,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.34084132246198,8.176967666238284,8.994116564798288,9.78931058821678,10.55978332787278,11.302917369117743,12.01640970445387,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_98,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1018499150881358,0.7316056536880832,2.171697877026829,3.9582208351565606,5.395487886904989,6.26092574904246,6.6967844394168665,6.896798999201169,6.971263469940908,3.3669701734170467,0.5265837150557615,0.0037055015232525,10.857700486476,5.209624396251105,6.736178812903721,1.7222122558665538,0.3861359065624172,0.8467792174369028,0.074382471735624,0.98119568044741,0.0323633439159805,3.4183289675245683,-0.3576888107938236,-0.7900457519908077,-0.074382471735624,-0.9527485846788164,-0.0197043862989563,-3.4183289675245683,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.893336453336081,8.687471757802516,9.465855798766148,10.22594476334202,10.964795954742922,11.679414859126451,12.367099926292155,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_99,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1023728384004935,0.7331212325736124,2.17396280539558,3.960398693121172,5.392662391850398,6.251439879438915,6.682760180068051,6.880419742863402,6.953963524470305,3.36959668566166,0.5279211378116333,0.0037419071888633,10.819285241843318,5.220860841221522,6.691275824485988,1.723892644510313,0.7270829227620706,1.5662970885849128,0.1127430981022275,1.629027707579891,0.1121585916874446,5.890276575854903,-0.4003480582602052,-0.914673411565618,-0.1127430981022275,-1.3022928430780256,0.0332384230158854,-5.890276575854903,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.885963649914667,8.680925190592948,9.459302421146296,10.218870333852614,10.95692362571783,11.67063443619866,12.357411693423046,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_100,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2158780449610015,0.8970988818327477,2.202863025819425,4.090529376450134,5.779130415918592,6.824105789839984,7.352060918807776,7.594165040345104,7.684237891119668,3.431614465260227,0.7040214034575976,0.0234104936560761,13.05098478438502,5.6500652080263984,7.978057824893816,1.7349693100189465,2.0370156005817743,4.482558753891424,0.4074031201163548,5.296240561512613,0.142591092040724,18.33314040523597,-2.0370156005817743,-4.482558753891424,-0.4074031201163548,-5.296240561512613,-0.142591092040724,-18.33314040523597,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.550535502391844,10.33043605249072,11.087893746566824,11.818533002276778,12.518748966785372,13.185967367520092,13.818646197085918,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_101,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161301660761392,0.8994962976594072,2.182185639838301,3.985711213785914,5.596654756393894,6.600916030336706,7.111082790293621,7.345693014398021,7.433086155916436,3.358539607161488,0.706030336280115,0.0232878452437528,12.171524393053962,5.4466537368187575,7.466941035430362,1.7161986473186157,2.0765070210373344,4.564342353984646,0.4103360554978491,5.359195465020126,0.1546655203031465,18.589256215143653,-2.0268535339411566,-4.465315921994383,-0.4103360554978491,-5.309541977923948,-0.1325697185453474,-18.589256215143653,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.476544531443604,10.25253215037873,11.006245948660078,11.73352949593381,12.430945593315416,13.09601836029986,13.727240490520314,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_102,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179716036239553,0.8956704573192389,2.107199482722235,3.7223992439335833,5.09613787650462,5.924012746182512,6.337090877622015,6.525468345725396,6.595392301529572,3.1706079859643737,0.706144194654193,0.0236157257411355,10.029472811017389,4.861685215889398,6.11560653983845,1.6167099471565094,2.2782089507133363,5.0004537004738765,0.4431651289693937,5.823529982468486,0.1828683662498213,20.25434733295455,-2.1534423389806,-4.751625408364694,-0.4431651289693937,-5.698763370735749,-0.1273472240287539,-20.25434733295455,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.462167316165123,10.239667327665554,10.99617550073586,11.72671805607103,12.427401544965988,13.095505995214454,13.72940466773216,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_103,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.154464911939304,0.7773770200174703,1.9050018267193416,3.4957755940867874,4.968998786051422,5.905106669127557,6.384328591550466,6.605387459856824,6.687831982725818,2.935034537074962,0.5994631220480514,0.0094483904595975,8.5163195471828,4.162594782435576,4.9478261998766335,1.266564808166147,1.132233774663305,2.280541146386688,0.021794859300031,1.3065926490635535,0.4629786685376127,6.097066059317147,0.9142851816629948,1.8009339341626684,-0.021794859300031,0.7399263072627466,0.4477222670275909,-6.097066059317147,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,6.840893620769183,7.621857375590655,8.399616336871764,9.168213116519556,9.92247527913276,10.65783135605017,11.370358331787386,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_104,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1015758197319111,0.7309588776781679,2.1774850124328857,4.003634138994462,5.507431670682738,6.427673315623739,6.894944560917513,7.110170623880548,7.190421677032823,3.394257063760222,0.5259367204066256,0.0036822459216838,11.255844104853418,5.314087746528536,6.963504758821942,1.7296620080270515,1.021354923786475,2.2240069752574785,0.1814412886430996,2.472885232931272,0.1143005248791694,8.735600391794367,-0.7930579626445217,-1.7687029308040243,-0.1814412886430996,-2.244588271789319,-0.0127083771710002,-8.735600391794367,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.901113900139314,8.693392056126653,9.47044553142359,10.229733327143547,10.968228260753923,11.68282446493082,12.370713124283164,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_105,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217921556840244,0.8956358001705247,2.1062537187902723,3.722730169698541,5.104453398819142,5.941480741956603,6.360502857848729,6.551908634937647,6.623008113304895,3.169779859800737,0.7061489523111427,0.0235795848379929,10.07041805441451,4.8643025690641215,6.148899179703193,1.6157457619363622,2.3755473768270834,5.217491622560189,0.4653870588889497,6.098643847938681,0.1845178472712711,21.18547806191441,-2.2783232120624137,-5.023592609561772,-0.4653870588889497,-6.001419683174012,-0.1412530939509933,-21.18547806191441,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.453586190179731,10.23250722965722,10.99004722915206,11.721333130589665,12.422548776044122,13.091033364931654,13.72520496303244,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_106,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2159626493685128,0.9008569568355338,2.256043146939649,4.3099691894205785,6.204716853936098,7.393670857055123,7.997783766660895,8.275454192766668,8.378854274087066,3.5832425821328777,0.7057382646250089,0.0234027606492801,14.772762668896217,6.328730665691771,8.872898030797671,1.803539288463372,2.1128098839409004,4.649348015725916,0.4225619767881801,5.493305698246341,0.1478966918758628,19.0152889554681,-2.1128098839409004,-4.649348015725916,-0.4225619767881801,-5.493305698246341,-0.1478966918758628,-19.0152889554681,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.426876505661085,10.226515379273906,10.999647245827289,11.742940611737293,12.453529229246204,13.129359928598,13.769263343498563,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_107,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1547424926443406,0.7779342690909125,1.9090621361288385,3.5188206391315884,5.016967883502382,5.970836664196808,6.459588419381645,6.685133258549875,6.769264811713454,2.950057997242867,0.6000080752406172,0.0094792364875182,8.662656491444487,4.214385826645208,5.0280755956246415,1.2704908448985333,1.1557107859421445,2.3360251441520874,0.030196931366691,1.3972862368756729,0.4576720534317084,6.382492557044542,0.8537414722752334,1.6715259670237397,-0.030196931366691,0.6121660213417047,0.4365342014750248,-6.382492557044542,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,6.834628858458891,7.618242903811481,8.398095691632227,9.168332180366946,9.923858234002935,10.660168288114656,11.373396569728746,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_108,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1542306561148231,0.7765152698529574,1.9069159608481536,3.520721350766963,5.03233185751216,5.999301533902916,6.495931456605891,6.725352244098052,6.810966552955673,2.9493715147627686,0.5987670412479004,0.0094270682997365,8.721572322497892,4.217108665157766,5.066968444084198,1.2692919456285083,1.0489133462942262,2.100355212474852,0.0082005802979237,1.114517988677616,0.4513903510423237,5.408578337429605,0.9669075433149886,1.919897178717285,-0.0082005802979237,0.9013029009315986,0.445649944833777,-5.408578337429605,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,6.846292891996209,7.632597300322483,8.415315846394748,9.188450792961392,9.946762321758037,10.685626686947463,11.401098127148732,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_109,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2164444097824631,0.902501040218372,2.199630029724538,4.042236929570633,5.717396082383892,6.777503576431943,7.320625886689115,7.571402165774735,7.6649776010204125,3.398101552484531,0.7078607813785291,0.0232886762024945,12.556177128709091,5.612345362315033,7.645457806719309,1.7439830384573771,2.005492713562561,4.412978773503951,0.400892697656141,5.212634294811688,0.1407704494300747,18.04531752093562,-2.00343426299885,-4.408873502622215,-0.400892697656141,-5.210575844247978,-0.1398544389292236,-18.04531752093562,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.459672163463669,10.232664909313533,10.98366367954038,11.70871342456797,12.404438427628044,13.068344134590646,13.69886487784262,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_110,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1108437662511433,0.7639387984547166,2.413789747833196,4.860473544883141,7.032450963087979,8.380826317209555,9.064930504213484,9.379408916924683,9.496538778209532,4.010464076332041,0.5512604323922291,0.0042507169809437,18.7990037188574,7.759879762345855,11.372387807646527,2.067573843832031,1.413400109707676,3.073876637858928,0.2471058888521308,3.3902472205247234,0.1736436871672865,12.009118325581,-1.0576587788136322,-2.363816941394416,-0.2471058888521308,-3.03450588963068,0.000669564970795,-12.009118325581,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.243416367842227,8.086808328456346,8.91357908459298,9.719544416879383,10.50103999152178,11.25483858873258,11.978261214477577,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_111,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025988244408205,0.7336278925213807,2.1749459907782103,3.969959562291064,5.421562621089674,6.29823165112363,6.740306105715556,6.943277527882474,7.018858133062148,3.3747238275351767,0.5284181208369523,0.0037579530350282,10.93381122111652,5.239658787365974,6.772916869459768,1.7247680534645475,0.7833867563620976,1.7100714778395925,0.1432809577878418,1.929634418664832,0.07995531072893,6.782552937567324,-0.6494228215163204,-1.4429005043799163,-0.1432809577878418,-1.7956704838190545,-0.0203413597225591,-6.782552937567324,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.898331499477767,8.688642111290353,9.462712180389484,10.218451790383323,10.953209926916024,11.664160042968676,12.348680212420122,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_112,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3171637643233788,1.256163020650838,2.962296189532436,5.1239279030000215,6.91969946101008,8.003327569177072,8.546519243628985,8.794949060992337,8.887287671803374,4.396154801634109,0.9895542471104378,0.0378250995054717,17.93153724118587,10.485546808343088,9.09940379003202,2.604431274544867,2.986672458092281,6.522521146745348,0.54863596581129,7.3757601845826,0.3113339762615086,25.90608160668721,-2.499687200020619,-5.55049857163431,-0.54863596581129,-6.888774926510938,-0.072711199806394,-25.90608160668721,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.576751860381476,10.327881194093392,11.06677421212772,11.786982949987031,12.482472382817871,13.148441213414396,13.781581537494738,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_113,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.315886385777017,1.2451183980895508,2.913483127731331,5.061993439053381,6.904238721535471,8.03924329459809,8.613963032070162,8.877994399600409,8.976313601080994,4.330491730246074,0.9821986033092158,0.0380307402497535,18.05656729601926,10.231822361964747,9.425742410237492,2.5666933642072003,2.9385771275588137,6.414802018618292,0.5371759474470046,7.235984707134852,0.3118333028651088,25.436404586734163,-2.4331823469112326,-5.4060340364457184,-0.5371759474470046,-6.730589926487269,-0.0641898603477939,-25.436404586734163,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.681184777165347,10.451576906253775,11.206479658183827,11.93898308578352,12.643151467471538,13.314563033565593,13.950399111626275,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_114,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1990277852251583,1.076983807194983,3.138053430967947,5.863480220204303,8.081852506532428,9.393235671482245,10.042981507216668,10.338498788564248,10.44808039892018,4.949792062793695,0.79502679572475,0.0192488670172749,23.81570272199805,12.89709548262345,12.313829139587096,2.9639741897890066,2.171041613864909,4.72756610186944,0.3853954403722094,5.254205136842583,0.2544799660121656,18.56311687676873,-1.6829127898571845,-3.753260969150021,-0.3853954403722094,-4.766076312834858,-0.0152968422483806,-18.56311687676873,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,7.65099226189938,8.465797482436235,9.283972276837536,10.095002266634856,10.88892682525272,11.657461657308689,12.394408056401817,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_115,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4254465850775283,1.4141433672328445,2.8519285454119525,4.556996798338368,5.974285480939768,6.838896306675065,7.275771109620139,7.476412973176327,7.551126906646031,3.985230467801207,1.1590441768282376,0.0568514845466507,13.68663232890672,8.994822255627726,6.522895675253604,2.362830230062256,3.837346368635521,8.441126922423983,0.7643861420347735,9.952435504913709,0.2750888223583805,34.47445468387307,-3.8065150517122137,-8.379587613845064,-0.7643861420347735,-9.9216041879904,-0.2599814770659603,-34.47445468387307,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,13.138860431294692,13.75321437946635,14.333205093942604,14.880973628109444,15.397339103679585,15.882765100569555,16.337835233786763,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_116,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3149607472499589,1.2315141542944317,2.9670275614399264,5.381889874834867,7.483439939264457,8.766841431467112,9.411493845855132,9.706374201135858,9.8159705375773,4.54899908388509,0.9721820126373972,0.0379652057982813,21.1795283416546,11.204522938743816,11.147264080606355,2.6691251252810555,2.870659882444253,6.265307270853822,0.523554055198767,7.059092324034389,0.3071598264802733,24.824380516196605,-2.364880669543417,-5.255771961903751,-0.523554055198767,-6.553313111133552,-0.0593280121588631,-24.824380516196605,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1876,9.397949022277963,10.185736794903535,10.962021994561011,11.717392897074356,12.444248859142254,13.137172701698384,13.792825300507433,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_117,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0963999311454628,0.7895773087910187,2.7025543466437294,5.377289342767223,7.577638292078356,8.879155212735794,9.523771561021285,9.816884475150491,9.925562579771418,4.474169539855547,0.5503770744937727,0.0031576456313849,22.309810656197183,9.859463357563826,12.707340170255812,2.347333962245209,3.410758191141312,7.300998759032398,0.4821516382282624,7.267971296967412,0.6587530733798919,21.87530733798918,-3.410758191141312,-7.300998759032398,-0.4821516382282624,-7.267971296967412,-0.6587530733798919,-16.696823720271812,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1876,9.582612441131586,10.376339504033115,11.153693424596554,11.91072235981274,12.642754978739738,13.34549301886153,14.015573004082214,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_118,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0898801708002367,0.7482516500029357,2.681932894679695,5.597474939559601,8.067064706965494,9.532908214616269,10.25761113658783,10.58663535114425,10.708534842610446,4.596433433896354,0.5195954244996885,0.0027843920478485,25.23214548366272,10.440391144391176,14.390812947297697,2.223254529635365,3.2777455769638326,7.008297584878917,0.4555491153927666,6.922138500105965,0.6494421903874683,20.94421903874684,-3.2777455769638326,-7.008297584878917,-0.4555491153927666,-6.922138500105965,-0.6494421903874683,-15.499710192674494,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1876,9.24477278199238,10.110158670557157,10.957238474647117,11.778572865277146,12.567641379719184,13.31947730896554,14.030815736100262,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_119,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0963708956977051,0.7894918532130627,2.702356247559337,5.376959948310407,7.577230486699737,8.87871306180473,9.523315798741995,9.8164232867172,9.925099502172609,4.473879856409753,0.5503055599512638,0.0031553366588562,22.315996360288537,9.858528814609317,12.709637886915656,2.344515539123986,3.416745469962842,7.314174077417672,0.4833490939925683,7.283538221903389,0.659172182897399,21.917218289739893,-3.416745469962842,-7.314174077417672,-0.4833490939925683,-7.283538221903389,-0.659172182897399,-16.750709229665578,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1876,9.59595994311142,10.387968878523358,11.163951767852298,11.91987500534062,12.65100385921781,13.352992039068193,14.022440215375903,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_120,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0898927507063245,0.7483472112456322,2.68214515588263,5.59774136398231,8.067343392087649,9.533186410333904,10.257887394008458,10.586910388538836,10.708809375866895,4.59668820759013,0.5196650115326035,0.0027847375692246,25.23825225048726,10.4414275361746,14.394136501859313,2.2228316770300816,3.2795405637518447,7.012247546645249,0.4559081127503688,6.926805465754796,0.6495678394626292,20.95678394626291,-3.2795405637518447,-7.012247546645249,-0.4559081127503688,-6.926805465754796,-0.6495678394626292,-15.515865073766602,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1876,9.24403203049494,10.109385042869254,10.956433910832368,11.777742664696158,12.566792398083056,13.318616836935602,14.029950808470192,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_121,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0964494745800941,0.7897755323524058,2.702915079857384,5.377781916483886,7.578231123396684,8.87980821524396,9.524454654355806,9.81758130444192,9.926264509471968,4.474620498265365,0.5505380364304052,0.0031606768348402,22.31428462409128,9.861079971286944,12.710058576245997,2.347972298206869,3.40955119177862,7.298342694170826,0.4819102383557239,7.264833098624409,0.6586685834245035,21.866858342450342,-3.40955119177862,-7.298342694170826,-0.4819102383557239,-7.264833098624409,-0.6586685834245035,-16.685960726007576,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1876,9.570724765894004,10.365731955719667,11.144172101814927,11.902128831042996,12.634959691672424,13.338389565723324,14.009073402704365,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_122,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0898852078000719,0.7482982252870661,2.6821343172903283,5.597851781174962,8.067525516811733,9.5333989230435,10.258112665555773,10.587141092127764,10.70904204450218,4.596760495936595,0.5196260477519179,0.0027844556508515,25.235506576701347,10.441410349958932,14.393492358211438,2.224206539655751,3.277183894189448,7.0070615727263785,0.4554367788378896,6.920678124892565,0.6494028725932613,20.940287259326137,-3.277183894189448,-7.0070615727263785,-0.4554367788378896,-6.920678124892565,-0.6494028725932613,-15.494655047705033,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1876,9.246321584185862,10.111460561601106,10.958300226015258,11.779412700970536,12.568283253184108,13.319947060381692,14.031138711844738,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_123,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0663757379588662,0.3844485346854604,1.290717757995545,2.80770139126899,4.255349251876323,5.185615092681092,5.6647758197601465,5.886475615622214,5.969267570227017,2.2638446080394243,0.2791875170554098,0.0043482128645264,7.546579068213957,2.2777077692812564,4.730644689038183,0.3633403190172007,6.80107850450577,15.004795300262264,0.736441660086002,6.637727305782465,0.8783844292184105,26.626002063246297,1.1459573747215877,2.9882778490363773,0.020418899840413,-6.637727305782465,-0.8783844292184105,1.5652054546506884,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.503167338071806,15.33002419669554,16.074218881590504,16.744863255879498,17.350204249205493,17.897550834804086,18.393318899317617,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_124,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669603702293794,0.3819537278550516,1.283856002647826,2.8126666438319337,4.270597548808185,5.203128388672002,5.681896897669629,5.903048116233904,5.985575510504282,2.263811373987309,0.278117199385805,0.0044463696279699,7.588603508196531,2.280905009188468,4.758676816319554,0.3658087163609071,6.786176109463842,14.957800702965333,0.7329217055283545,6.7158445264199935,0.8937084615775378,26.699177301583067,1.0018120013289322,2.67516860696894,0.0087914478804812,-6.7158445264199935,-0.8937084615775378,1.3546182839075016,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.227022033683172,15.082648064347843,15.850614627532387,16.54118658390152,17.163474524805505,17.725431604132318,18.233953956126143,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_125,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669950050203213,0.3842002850945806,1.279795007277692,2.780784387264998,4.208108123558385,5.120162959894196,5.588159664138867,5.804273538160526,5.884910945482329,2.2427893423656844,0.2797617131338799,0.0044246628085803,7.4461055240670975,2.2436641787491385,4.670345984139544,0.3573894773323066,6.586825876701661,14.510219191835954,0.716177040590238,6.673329023928442,0.8732426598148325,26.05682894843612,0.8194976687606895,2.2586142884821507,-0.0108128934033475,-6.673329023928442,-0.8732426598148325,0.6121812586606247,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.519754916411852,15.339277056282844,16.07756116972372,16.743372925474027,17.34474727007288,17.88885116254759,18.381994457389847,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_126,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0666027435998757,0.3837270902594662,1.2923599216790775,2.8199080178296727,4.273734369407197,5.204489056645641,5.6827829519321,5.903825789360731,5.986331199744538,2.272374230748027,0.2788009881802254,0.004390831744971,7.596174414220024,2.2955422652668984,4.759972671843429,0.3711529357748621,6.60814318531833,14.572897339596937,0.7121105477974866,6.445805640059865,0.8629431617034464,25.899789202282395,1.0820855947070134,2.838732741943683,0.0202921931573079,-6.445805640059865,-0.8629431617034464,1.6861467898761495,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.631286950942998,15.444243103812704,16.175821546528628,16.83512118174409,17.43034140409127,17.96871590358733,18.45656777000587,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_127,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.066896245315473,0.384525689959372,1.290020843629869,2.811496529188276,4.256754483671833,5.179678764274024,5.65316922803942,5.871811479084274,5.953391623661352,2.2663038836063505,0.2796596714756983,0.0044179185239524,7.569738386724601,2.300182172009079,4.7303226623007175,0.3681384088721351,6.775938838262397,14.92692863344986,0.7359837078514909,6.850993232735354,0.898730646020393,26.795325583023875,0.8533812014324991,2.346796518900491,-0.0093817993091197,-6.850993232735354,-0.898730646020393,0.7075328324025024,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.54433943928123,15.365437909456556,16.10444604762201,16.77044532932574,17.371663429210376,17.91538558227238,18.40799589841634,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_128,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671530283210568,0.3807171359782976,1.2755181955372257,2.8010204575890163,4.262375797551909,5.199260867869697,5.6807965325785394,5.903337545758844,5.986401005863817,2.2523051885672105,0.2776580860972063,0.004475620202975,7.620700836515181,2.271589480848863,4.777237317003469,0.3511002339028315,6.880611997166135,15.168514774617096,0.7457437416448948,6.831541114041983,0.9013869040913512,27.072253365985382,1.0141028242057095,2.7060970218514004,0.0061338603905188,-6.831541114041983,-0.9013869040913512,1.185907522082222,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.669580783465006,15.479471345450191,16.207120969168194,16.862201031841202,17.45325608409902,17.987715964683083,18.47200397529055,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_129,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0665249969010168,0.3818143849176245,1.2894368122141346,2.8432172274022984,4.351564942377566,5.329436656591263,5.835090235026291,6.0694373645832655,6.157011252776752,2.28226238112713,0.2775800443035748,0.0043924981499176,7.812466052950322,2.339561556765202,4.893359183470349,0.3643302356895606,6.526062605028833,14.37675494295262,0.7094167288571759,6.605650441370641,0.8648555548881024,25.81049759432828,0.8183540127728908,2.2519135884745944,-0.009948479542726,-6.605650441370641,-0.8648555548881024,0.6327153003317099,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.261186767375918,15.118194294549074,15.88708557032635,16.57815486291831,17.200565042362786,17.762328344836096,18.270399044551365,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_130,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0665297528743775,0.3866143845776283,1.3058190417792828,2.8504077610641665,4.329486651323927,5.2828869856174405,5.774865998380809,6.00270044164269,6.087815991261609,2.296080488150226,0.280416967859366,0.004362676325634,7.737835356759035,2.3721084762924582,4.822271897821485,0.381435968146257,6.887837083496735,15.177505589489806,0.743223753820156,6.843654076826606,0.9125010679315904,27.13890577835793,0.9740025278694482,2.622672661261781,0.005522875833766,-6.843654076826606,-0.9125010679315904,1.3193750488342828,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.133019902693052,14.994589837802764,15.769770927764712,16.46792211820587,17.097629235913516,17.666561744820303,18.18148073620662,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_131,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664182940533385,0.3845041068077571,1.2906143331909243,2.807360516585021,4.254886005115865,5.185128734674915,5.664293692742865,5.88599901509255,5.968793600762671,2.2635770958602537,0.2792519242667836,0.0043540579490149,7.545760179006321,2.2771431935188984,4.730268196461954,0.3630915929354566,6.800680125159559,15.003769470887136,0.7364887368643923,6.640190938756103,0.8784338279894276,26.62703924544076,1.143093669071097,2.981917914101782,0.020061148300432,-6.640190938756103,-0.8784338279894276,1.5520736457021542,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.505145567190729,15.33221046231856,16.07645646242752,16.747060881646856,17.352311243196695,17.899541454750107,18.395182540726733,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_132,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0670067456648628,0.3821289050855476,1.2842753718001916,2.813347803412136,4.271484300266242,5.2041407377817706,5.682973163662704,5.904153857188809,5.9866922470531,2.264407871310998,0.2782533039118907,0.0044521585158297,7.590361859311737,2.2821611456938085,4.759489503371967,0.3662654490288209,6.784517056251156,14.954209802295908,0.732638095031366,6.7118256720150224,0.8934904316637331,26.69077123016217,1.003590383388112,2.679029682920872,0.0090864230295164,-6.7118256720150224,-0.8934904316637331,1.3664627100974367,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.18431129671377,15.044376401283351,15.81618876689665,16.510101433527254,17.135300797845893,17.699804473118,18.21056295351777,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_133,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0670058130090352,0.384250305065758,1.2798358356250197,2.7806782094275087,4.207823857214249,5.119756966445892,5.58768919532142,5.8037728311045775,5.884398879465121,2.2427437633503,0.279802188181655,0.0044257242530799,7.446106035587675,2.243707066225219,4.670251238040624,0.3572555519625092,6.581523253410466,14.498642684173385,0.7156141306901274,6.6672607028011805,0.8724120701515312,26.034871009268528,0.8198947165105612,2.259083965762191,-0.0107171811738391,-6.6672607028011805,-0.8724120701515312,0.6132750940296897,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.516687464674272,15.336944631427684,16.075801554431916,16.742060770714623,17.343785165836366,17.88816312680412,18.38152105669584,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_134,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0666355200207087,0.383907171317952,1.2929138851484323,2.8209399547134675,4.275167389277874,5.206169321134454,5.684588645245708,5.905689151426274,5.988216042392117,2.273245661037996,0.2789305385297425,0.0043944938223941,7.599990124393664,2.297534683616521,4.76203154479691,0.3717703515038177,6.60599296899556,14.568017470487243,0.7118453356174819,6.444359180362801,0.862841626284716,25.892481642811177,1.0805274025684966,2.8352163151607326,0.0202042235790949,-6.444359180362801,-0.862841626284716,1.6850427214676384,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.643664302599891,15.454729860052836,16.184852676461706,16.84300622787888,17.43730518494233,17.974925197752484,18.46214891915398,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_135,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669082486177771,0.3845348017646497,1.2900775644698794,2.811730477422447,4.257154456435775,5.180169928551761,5.653702066290531,5.872362383170939,5.953949078805103,2.266471146531208,0.2796708876806354,0.0044197663521543,7.571149361661146,2.3005113795046346,4.731283854170301,0.368204776483435,6.773525147377337,14.921535807230242,0.7357024835511627,6.848897547889961,0.8985092376019524,26.78638663538761,0.8524246542370528,2.344558708838268,-0.009421550064078,-6.848897547889961,-0.8985092376019524,0.7070454588541786,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.55167503965861,15.371950880621151,16.11024441623016,16.775621053584384,17.376295682754304,17.919542868308245,18.411737571160963,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_136,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0672090141197639,0.3809847491127409,1.2763721824815866,2.80234067558983,4.263903293075804,5.200893216911486,5.682483612883848,5.905050838436748,5.988124274181844,2.2535060372382327,0.2778484932590563,0.0044825887565988,7.6247442333552,2.273828276677555,4.779300516050164,0.3516099568418163,6.882495565194889,15.172552155653223,0.7459882424997759,6.83512488010193,0.9017342369888748,27.081359439144588,1.0125550052372667,2.7028198182567547,0.0059213356366199,-6.83512488010193,-0.9017342369888748,1.1790176989341297,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.658893770229952,15.469922783148249,16.198576823092175,16.854534536328284,17.44635343685896,17.981477790952503,18.46634476996995,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_137,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0665511561155767,0.3819631336413278,1.2898330006268277,2.8437936098177303,4.352290447796947,5.33027445006168,5.835991994740885,6.070370139907241,6.157955839077534,2.282784432382849,0.2776861924288227,0.0043954588940718,7.81431847761022,2.3405029589976976,4.8944575754028685,0.3645678328199152,6.529481130748952,14.384582993640706,0.7097111410908012,6.605147479198708,0.8650293894498488,25.819940390282586,0.8231737683641563,2.2627380266531656,-0.0094582935562195,-6.605147479198708,-0.8650293894498488,0.6490101776368571,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.243351869790928,15.101669433849896,15.871809967322378,16.564043228278184,17.187523795327238,17.750264400829778,18.25922419638904,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_138,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0665353369353212,0.3866557918172285,1.3060066519512874,2.851109498987703,4.330831318947475,5.28468624494602,5.776908558467031,6.0048573950122375,6.090015941783662,2.296571469078175,0.2804475931349014,0.0043630693064818,7.742059407351229,2.3731196660941096,4.825091070377114,0.3816987362254594,6.886437383139777,15.174829297807424,0.7429427645516576,6.836410546699455,0.9119493862184276,27.127524754408576,0.980121867480551,2.6360348005518355,0.0062533545550402,-6.836410546699455,-0.9119493862184276,1.3433954045269727,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.208107051287625,15.060559680245364,15.82813171452498,16.519872686653173,17.144133813686782,17.70840416263111,18.21930433013875,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_139,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.066414353517956,0.3845986266382915,1.2912943717888608,2.8089043955724966,4.257174212729131,5.187897131399193,5.667314237474794,5.889137623904238,5.971976542345217,2.2648291777081293,0.2792955425917924,0.0043533177917182,7.551898050454897,2.2797853850240384,4.733655913708358,0.3636255760012478,6.806035435812246,15.01547544583532,0.7370676341551088,6.646369624160113,0.8792489887005861,26.64917503809789,1.1427361006098176,2.981527446243029,0.0199582264565166,-6.646369624160113,-0.8792489887005861,1.5503457686471689,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.508767574528283,15.334406505005376,16.0776965953096,16.74765834848118,17.352476619539107,17.899417535624913,18.3948669199062,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_140,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669891661792713,0.3820028935195705,1.2839867973389925,2.81323445259459,4.271695300360976,5.204582838486203,5.683536963463639,5.904774311031746,5.9873338999195385,2.264199096126287,0.2781663644852633,0.0044502870228531,7.59275195169517,2.2820467781282736,4.761209600180405,0.3659393755728382,6.785095178094333,14.955491021601537,0.7327264274512897,6.712780345846875,0.8935402418032083,26.69325952102001,1.0034455274689953,2.6787294313097707,0.0090393540309323,-6.712780345846875,-0.8935402418032083,1.3642119513075088,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.249036059245569,15.101965077870116,15.867684025210044,16.556363890610122,17.17704483147377,17.737626331409505,18.244962999001725,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_141,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669937310184528,0.3842377487007664,1.2798380228026232,2.780758825548994,4.208018522290629,5.120031609908817,5.588005551131831,5.80410848345826,5.884741730133434,2.2427890468708123,0.2797875125244453,0.0044239830235712,7.445421010626798,2.243655504592295,4.669915174491603,0.3575665594297569,6.585107007437498,14.506567854485564,0.7159431234622101,6.669580200268337,0.8728962578122605,26.04804128719353,0.8214247233252305,2.2627369831279216,-0.0105591491038548,-6.669580200268337,-0.8728962578122605,0.6204617473812576,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.526068267867858,15.344702723127932,16.08230006862785,16.74756820973,17.348502638530345,17.892243210432937,18.3850809592789,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_142,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0666033109656567,0.383713791344992,1.2922074245926292,2.81945522185992,4.272991694989233,5.203559286275125,5.681755920564058,5.902753479620651,5.985241931446843,2.272030583634759,0.2787957342851085,0.0043909040340471,7.594186022721568,2.294684224180677,4.758894173751518,0.3709466879078041,6.607997946395017,14.572622492724973,0.7121152155747457,6.445608953243855,0.8628585269283621,25.89895479471833,1.0823473706507143,2.839271443058199,0.0202986241438953,-6.445608953243855,-0.8628585269283621,1.6853740946385731,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.629979431648929,15.443641958783768,16.175679004132093,16.835271901865013,17.43067487330655,17.96915826526814,18.45706980729185,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_143,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.066811140086402,0.38433105647227,1.2898431276497146,2.8115437270824977,4.25703073937412,5.180084571327869,5.653634965171833,5.872303326218685,5.953892957429392,2.266262578425571,0.279483900448795,0.0044065936049894,7.570945763028593,2.300117735980796,4.731402912248154,0.3681956839255323,6.77038900127505,14.914795908772474,0.7353034025783165,6.843224778781401,0.8979450600501685,26.77150543507253,0.8546997678201863,2.349349123068645,-0.009104472188294,-6.843224778781401,-0.8979450600501685,0.7172298182411613,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.549194303990864,15.369726386905915,16.108254296954655,16.77384615248367,17.374717665236552,17.918143697566027,18.41049961066596,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_144,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671923375032545,0.3808774326916141,1.276155325959042,2.802389946791362,4.264321914644212,5.201540567113018,5.683241402035582,5.905857763859303,5.988949218435672,2.253430194797465,0.2777736393895684,0.0044807446838739,7.626217561180393,2.273923156726892,4.78026793994196,0.3516425379180213,6.880245053643764,15.16754717269122,0.7456331835749024,6.831371416636306,0.9015679836299364,27.07173698326068,1.013050022465,2.70385014472368,0.0061092046259321,-6.831371416636306,-0.9015679836299364,1.1883977200467155,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.666003103681328,15.475941057052202,16.203723863830046,16.858978790440315,17.450225019908434,17.984878083736458,18.469353479582924,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_145,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0665313679961188,0.3818942508767293,1.2894941405865905,2.8428571679563177,4.350677685020568,5.3281794458460165,5.8336353904247344,6.067889630207481,6.155428605746793,2.282076491498963,0.2776371102321126,0.0043926711488806,7.810512587663979,2.3391826083455145,4.892257511889624,0.3643442994121963,6.5225482386833,14.368961073269697,0.7091210739481391,6.604035187405666,0.8643863881297944,25.79812294117753,0.816271417574056,2.247035244263924,-0.0101858685902954,-6.604035187405666,-0.8643863881297944,0.622379952332326,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.232268119566,15.092156832422154,15.86358860055936,16.556895473211213,17.181276855394884,17.744778715143344,18.25438557021077,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM1876_146,RSM1876.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0665164490888314,0.3866522414121544,1.3060008741969196,2.850725878713111,4.329924677527707,5.283406844215464,5.775429599387831,6.0032846231857775,6.088407911384054,2.296353960184052,0.2804321110917273,0.0043603539064218,7.739970754032094,2.3728698115007565,4.823459754432303,0.3814829410079389,6.8873078389180895,15.176364949875804,0.7431375030869328,6.842401214940166,0.9124230150189696,27.13621859151976,0.9745758874657318,2.6239131827375712,0.0056133279972404,-6.842401214940166,-0.9124230150189696,1.322872463380519,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1876,14.16945429127307,15.026510193423462,15.797946417749014,16.492958658454366,17.12001020508587,17.686677252733666,18.199648958196946,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]acs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCN(C(C1)C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Cu][Cu], topology acs"
RSM0237_0,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0029735675032332,0.1641696329182859,1.0664016463134447,2.8199804465078704,4.580300673484771,5.73152074183865,6.328171511596611,6.604880037547534,6.70830742009129,2.175472569198924,0.0883976780291556,2.214971977774304e-06,7.244182692961093,2.3694921354769205,4.349103886800078,0.306335761036849,17.473217859336184,39.87087083419704,1.995732765308831,8.466499747767608,1.657720723337212,70.29199082080572,-17.473217859336184,-39.87087083419704,-1.995732765308831,8.46008862521959,1.657720723337212,-70.29199082080572,0.0,0.0,0.0,9.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM0237,20.9273203625686,21.314608309271897,21.62070141130446,21.86637573495161,22.066282887100787,22.23095760448501,22.368110741223628,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_1,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0029747219707008,0.164138258831852,1.0660684806681722,2.8190569734369,4.578863160700834,5.729781931324951,6.326285099787153,6.60292690151637,6.706329607769063,2.174757087836965,0.0883857578472301,2.220654898169109e-06,7.240049605724186,2.368201980612694,4.346739669617375,0.3062172616215611,17.472382492826956,39.86910361318524,1.9956861879431265,8.466826754970882,1.6579030569645063,70.2925851879094,-17.472382492826956,-39.86910361318524,-1.9956861879431265,8.460545161020471,1.6579030569645063,-70.2925851879094,0.0,0.0,0.0,9.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM0237,20.87857529425154,21.27337466759074,21.5854252837651,21.8358892625102,22.039696021293555,22.20758266622545,22.34740944274855,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_2,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0029726680145262,0.1641346619277482,1.0660472596169237,2.81889682155489,4.578572910049481,5.729418260116139,6.325886005995637,6.602511837758139,6.705908638044125,2.174649854007736,0.0883793110909089,2.213968026702795e-06,7.240866811339528,2.3684402507213704,4.346912964992126,0.3060559568694272,17.47548577299686,39.87550702663655,1.99576406142407,8.464846954402235,1.6569254644151152,70.2833319164034,-17.47548577299686,-39.87550702663655,-1.99576406142407,8.458713526250481,1.6569254644151152,-70.2833319164034,0.0,0.0,0.0,9.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM0237,20.93120545472133,21.31801929629441,21.62369961912737,21.869020015497693,22.06862526220005,22.233042466552448,22.369975388372584,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_3,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0029778040729009,0.1642367967567658,1.066409788372746,2.8197695460103045,4.58001567573563,5.731248679979911,6.327919862076459,6.604640453994112,6.708072730171782,2.175326002486069,0.0884467557991342,2.223441004293901e-06,7.243137610076101,2.369259621287448,4.348651070271033,0.3063792101022505,17.47309531046757,39.870654187594496,1.9957617658518056,8.46672533402314,1.6578255244852504,70.29462063837202,-17.47309531046757,-39.870654187594496,-1.9957617658518056,8.45994891857946,1.6578255244852504,-70.29462063837202,0.0,0.0,0.0,9.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM0237,20.91014797701393,21.30012897290409,21.608340790788105,21.85570916939152,22.056990354337835,22.222793786274146,22.360884684898625,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_4,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0029698413051534,0.1640651155532729,1.0658354471533098,2.8185952028505548,4.578262981577992,5.729125397540469,6.325606498259087,6.602239341922393,6.705638881515217,2.174367744659927,0.0883346849463098,2.2098595421630223e-06,7.240699456477918,2.3679004268365533,4.346847315751895,0.3058928540065567,17.474912252529514,39.87433101639975,1.995756861177522,8.465241589868768,1.657119612266173,70.28554541746719,-17.474912252529514,-39.87433101639975,-1.995756861177522,8.458994452656087,1.657119612266173,-70.28554541746719,0.0,0.0,0.0,9.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM0237,20.84493803760137,21.24494323503594,21.561117905214232,21.814893904298284,22.021394633355545,22.191498335889616,22.333169301759284,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_5,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0029765888612961,0.1641823296836459,1.0663941263241554,2.8200864981690468,4.580535577612872,5.731816786288066,6.32849055469546,6.605207708114705,6.708637985362963,2.1755279866657427,0.0884124179466175,2.224085473327394e-06,7.245464286937358,2.369759014543754,4.349988976494388,0.3064001885859146,17.474003344273235,39.87255185669002,1.995784136759574,8.466292298719965,1.6575855816905407,70.29203194775893,-17.474003344273235,-39.87255185669002,-1.995784136759574,8.459761452211607,1.6575855816905407,-70.29203194775893,0.0,0.0,0.0,9.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM0237,20.94478034393872,21.329194121459075,21.63304970367889,21.87695377571945,22.075439424285456,22.238957189521003,22.375157144755143,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_6,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409333310076104,0.4916745942120607,1.3619143550161592,2.827101854367766,4.226249496378334,5.124702030615575,5.587286005999192,5.801276802514328,5.881183913096471,2.301329152662281,0.3875451531642772,0.020179782110145,7.745471425923252,2.0408128275418145,5.072891108205168,0.3052705120148846,11.323055255674744,24.970290754874817,1.533205491828665,12.18112080155859,0.9675616058245188,55.59807031623802,11.323055255674744,24.970290754874817,1.533205491828665,12.18112080155859,0.6144698937919204,55.59807031623802,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0237,3.3568310433785484,4.045310317933367,4.751011330164375,5.456757100168908,6.149536396620376,6.820271444768611,7.463236737295855,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_7,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409692779920694,0.491647980107324,1.361355910164414,2.8257688482354086,4.224308188264025,5.1223944296870325,5.584792331045081,5.798697244868257,5.878572294653169,2.300250389804424,0.387559059033728,0.0201902100727964,7.741298625140344,2.038606079476408,5.070458028676869,0.30430833235073,11.378295084802366,25.09594009358309,1.5394836150560582,12.159300574691285,0.9670220723256384,55.81589052872348,11.378295084802366,25.09594009358309,1.5394836150560582,12.159300574691285,0.6099905851892716,55.81589052872348,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0237,3.355078929192159,4.04339282891388,4.749015561838924,5.454743235722088,6.147544691307362,6.818327927381804,7.461357504480962,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_8,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409763956735158,0.491776644352664,1.362092400129391,2.8272518903138124,4.226309126444435,5.124686657906843,5.587228441875896,5.801199042904817,5.881098511757601,2.301500486675212,0.3876289869494074,0.0201917881556977,7.745862955680069,2.041044324447728,5.07301179155903,0.3052326491427519,11.364912853928738,25.066422664048428,1.538220288376457,12.1573731684727,0.965697101272902,55.78512819919446,11.364912853928738,25.066422664048428,1.538220288376457,12.1573731684727,0.6093329919822355,55.78512819919446,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0237,3.3560697749183186,4.044519280502761,4.750226901496808,5.456002550032559,6.1488249481800406,6.819609269981579,7.462625379821022,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_9,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409199062850196,0.4916606568732454,1.3619665335213202,2.827381418036485,4.226795685596822,5.125432316804407,5.588114241684775,5.802151033997522,5.882075428824305,2.3015179776136585,0.3875291873551923,0.0201759216891805,7.746526586985455,2.041154402934416,5.073582206536654,0.3053378577433933,11.31673164634829,24.95683914419507,1.5327469919483314,12.17632010818424,0.9661517150582514,55.59536869339207,11.31673164634829,24.95683914419507,1.5327469919483314,12.17632010818424,0.6132206742040629,55.59536869339207,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0237,3.3558825295487247,4.044095708504712,4.749591812856491,5.455185942905953,6.147858895620179,6.8185252548426885,7.461452511592238,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_10,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409652899140905,0.4917121363298501,1.3615693602630723,2.8260790088415164,4.224763906458048,5.122986563721906,5.585466907692387,5.799412569567644,5.879303242609909,2.300524846350681,0.3875939483246744,0.0201886668663309,7.743408973666719,2.0389790265970897,5.071512677575764,0.3041144829629893,11.420369168744823,25.19280383342777,1.5445897284349654,12.133590386347032,0.9647775257875428,56.00950512238526,11.420369168744823,25.19280383342777,1.5445897284349654,12.133590386347032,0.6043835831008576,56.00950512238526,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0237,3.3552997099236683,4.043609147404937,4.749222563836897,5.45493852432788,6.147727267037229,6.818497632661788,7.4615146971857795,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_11,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409578740852702,0.4917516534598389,1.3620834500989836,2.827225595363517,4.226255725608199,5.124621382597894,5.587159407972354,5.801128831641619,5.881027951901028,2.3014841451566177,0.3876031419733626,0.0201865468808434,7.745538381694017,2.0409963069488715,5.0728083518619655,0.3052777368436422,11.343071434665529,25.01633826349312,1.5356201728486751,12.16904462631838,0.9665493695264068,55.68904986513813,11.343071434665529,25.01633826349312,1.5356201728486751,12.16904462631838,0.6118664017055134,55.68904986513813,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0237,3.35460065449262,4.043066255928837,4.748789438656688,5.45458554592216,6.147435095746421,6.818253144599377,7.461308551864589,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_12,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1537738676794509,0.7722108370144022,1.8377909330804905,3.321057532852865,4.748047280372218,5.685982386836334,6.175181416103474,6.4028343144333455,6.488054113756918,2.7931317739052224,0.5971654854179218,0.0092970786067254,7.737563434233324,3.748586326960752,4.638784301406765,1.1738421918035522,1.673048563094527,3.4741378233750613,0.086365429098632,1.9076172264081803,0.5221859159847595,8.919067704508526,1.1353619645906377,2.2909305036641303,-0.0211718906021459,0.2814546855603666,0.4519510848412442,-6.865471241869215,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,6.66060048895129,7.454826189080355,8.246226678020143,9.028187530282132,9.795017492370066,10.54179072942137,11.264382925297449,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_13,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0972730408785828,0.6988777733863856,2.0805944508628764,3.86174597246675,5.316442287526481,6.188430811518353,6.624959275001854,6.824583655660913,6.898785030133773,3.266143887294717,0.5042661606869148,0.0033673519192154,10.394415655898063,4.884970214899798,6.400113672714569,1.5522264733828426,2.370224401862006,5.324755662078776,0.2827962648410548,1.7490906804726258,0.1429575148360246,10.092323145828162,1.601907353535613,3.634034044750036,0.1291328551757763,-1.6902855652349045,-0.1167892385552384,2.883444134702022,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,7.767825614274642,8.563605965352922,9.350476616933678,10.123564932152684,10.877745425039484,11.608297195131849,12.311302619353102,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_14,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1186795144037594,0.7337247078010241,1.9856396822645968,3.6833150014547367,5.184728071022872,6.121844295048876,6.598775653415332,6.818330012991012,6.900152981007258,3.0971041449171346,0.5461239417443484,0.0049924716576692,9.901113701558833,4.470769002131403,6.182104236941004,1.391952742884289,2.751627988412802,6.088766405216734,0.2447823967882157,1.425588417256877,0.3309243590109558,10.208448246641222,2.649731695860395,5.86453831484795,0.2244031382777344,-0.4814913161102068,0.0891988509993123,4.570896107936208,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,7.331024375313355,8.190140969051797,9.029897655836578,9.8465670549827,10.63660063242336,11.396783750175391,12.124467273995847,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_15,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161758202721628,0.8970649944512807,2.1012570590039643,3.686383104039312,5.083082109878826,5.95679106792461,6.402244833761213,6.607492387944257,6.684012988879719,3.1409190212377736,0.7057546964134535,0.023227800026547,9.31123300444473,4.770014036483925,5.531909603637314,1.6025551816393706,3.4674004195456902,7.7402320246969,0.491633809651305,4.403845477278347,0.2246620372028781,19.46407006924025,0.6915090512310553,1.6317387223693949,-0.0635444640116217,-4.311784790078592,-0.1836950313989876,-5.979255681590228,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,9.25709101364466,10.072921485959306,10.856589653106257,11.605427704925214,12.317800000356115,12.992878278598978,13.630496110720475,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_16,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1538663941906014,0.7724705037048638,1.838273970615315,3.32178941921094,4.748969263072816,5.687022256085699,6.176282456978676,6.403963875379913,6.489194366336604,2.793784368715708,0.5973876347503323,0.0093067997079014,7.740711800092456,3.7501854278396585,4.640502017810678,1.174426280696532,1.6782703062208986,3.4858178758645817,0.0872303601477318,1.916232683467219,0.5224213157384041,8.953408866796329,1.134452778983247,2.2891191286667136,-0.0215331452997984,0.2723668606815582,0.4515054814078019,-6.883946599086423,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,6.65800244507188,7.452657795639922,8.24457623862422,9.027066066150992,9.794392125538268,10.541606791262172,11.26457772216877,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_17,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0973117851246473,0.6990579236174174,2.0809875362360133,3.862178701405804,5.316783558416876,6.188691453558768,6.625175679336138,6.824779255279664,6.898972822144295,3.2665877130630747,0.5044049976964285,0.0033694224377198,10.39554000804004,4.886384309956342,6.400454851083935,1.5528968870925284,2.365877313426368,5.314798774189529,0.2824129969247555,1.7500804299847272,0.1428535823122087,10.08453001146776,1.595390814778588,3.6193031686171584,0.1283156971951995,-1.6907348959193442,-0.1164448196531132,2.853423853310824,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,7.770335344576919,8.56570160381744,9.352232954297929,10.125043642533246,10.878996110281289,11.60935958472022,12.312208666082324,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_18,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1186935732149543,0.733764684177882,1.9856617265345176,3.683226652608236,5.184418744170848,6.121331982452609,6.598141643041474,6.817635991728787,6.899435967520868,3.0970683030825983,0.5461604040071,0.0049933540448333,9.900219640762826,4.470772741746581,6.181544763979146,1.39199193296394,2.7489845935832604,6.082707743332715,0.2445325645043063,1.4259312276326537,0.3308760881005965,10.203052847183711,2.6460260071009523,5.856142019931899,0.2239408472078447,-0.4814180382138762,0.0894322811907594,4.553859621749051,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,7.32635725730488,8.185774065737768,9.025883139643147,9.84291592539348,10.633298785809096,11.393804178919536,12.121777943318016,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_19,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161800509135712,0.8970049244080819,2.101079042863089,3.686067441761263,5.0826398060477445,5.956262095699772,6.4016692155293695,6.6068947176084345,6.683407007433008,3.1406502365144826,0.7057138683620783,0.0232357025866135,9.309413031217378,4.769409157877664,5.530640532847533,1.6023241045204266,3.461210796035511,7.726245915799666,0.491095333538679,4.4035834227000015,0.2242716572688325,19.44867197243557,0.683393204680823,1.613513859508925,-0.0644681847322587,-4.31193733564466,-0.1834891485292055,-6.009916785033334,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,9.25013626541658,10.065884534158782,10.849697116761046,11.598821700491875,12.31156121715599,12.987044983791108,13.6250784803413,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_20,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1538205535375622,0.7723039252160652,1.8378709471219403,3.3210653606140426,4.7480253719814165,5.685965982148402,6.175174153636871,6.40283254404681,6.488054584659851,2.793163005124701,0.5972521733798923,0.0093038325871329,7.73766945345887,3.748613464692324,4.639020724682648,1.173952000350501,1.673345049832898,3.474786456250667,0.0863384193998511,1.9068952972861108,0.5222623292224389,8.917946788672836,1.1365016470812406,2.2934346326387023,-0.0210302611504803,0.2825238962590041,0.4520292119051375,-6.860739803817656,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,6.656168869551361,7.450455947304103,8.241993721248884,9.024133085702491,9.791161672602527,10.538140713464443,11.260937974049558,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_21,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0972734179252179,0.6988902142127137,2.080655103861816,3.8618575174389376,5.316575374354527,6.188565809990013,6.6250916897855525,6.8247140561674655,6.898914545700665,3.266241036216336,0.5042733490766541,0.0033672658452814,10.395122368505056,4.885199368599789,6.400609354495489,1.5523340539057529,2.374225758050894,5.333837851175376,0.283129659495704,1.748616188882944,0.1431678307346341,10.100630092682197,1.607676909617841,3.647007249658325,0.1298198898090934,-1.6897342396097843,-0.1169653633080781,2.907280710418924,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,7.762909432837569,8.559300365309708,9.346695933403142,10.120232353196805,10.874794069151234,11.6056700047076,12.308951559471364,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_22,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1186831191488619,0.7337486655472071,1.9856681072344613,3.683307497932752,5.184606304355388,6.121604218291125,6.598461757125196,6.817979151655118,6.899787872017541,3.097117840744714,0.5461436730614242,0.0049920967082132,9.900804565253932,4.4708108493982905,6.181955433866483,1.3919579110815783,2.760053833171179,6.108054205397845,0.2457340753238529,1.4274752031276687,0.331016785353586,10.23321893127324,2.6587496746714594,5.88512913680297,0.2254732436239089,-0.4851412252887686,0.0883218347847247,4.60981161558126,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,7.325578850234981,8.184765335311544,9.024621239216795,9.841417129158842,10.63159926274766,11.39194718625316,12.119806383971971,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_23,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2162203584629532,0.8971395085386688,2.1013985185264774,3.686576826005197,5.083263298974671,5.956942863492117,6.402376566778117,6.607613859677558,6.684130480074469,3.141103339700869,0.7058221300319725,0.0232400172328589,9.311637960043717,4.77054181491119,5.531832766761784,1.602781030402857,3.455771779284645,7.713955955854774,0.4903020449709918,4.3976828699999,0.2241173923953368,19.4207433897076,0.6816836646123559,1.6094308069364385,-0.064515577963466,-4.305198862674392,-0.1829620091354861,-6.008469678970539,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,9.25365729656781,10.069886275203404,10.85394465177616,11.603144888089346,12.31584250159431,12.991206973744797,13.6290732523914,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_24,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1538329334428771,0.7723549753796564,1.8380397085587767,3.321551632585266,4.748796311041183,5.686901820488999,6.176190885189667,6.403885995444879,6.489121650364828,2.7935336348124493,0.5972951133438983,0.0093037080576698,7.740191411014378,3.749705028275583,4.640070839376406,1.1741125483848782,1.6675999802937975,3.4618747401745846,0.0855064367116249,1.9001105593140888,0.5220088835085012,8.887023426543097,1.1350648379437684,2.2900034676059424,-0.0210005917583809,0.2897487318676591,0.4524785010673772,-6.855089310515912,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,6.661575477828118,7.455789609775552,8.247221889944589,9.029234510611966,9.796120586714052,10.542944944730918,11.26557843263276,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_25,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0972947074358584,0.698974841522024,2.080807502777719,3.8619942091793473,5.316671986887024,6.188646512256607,6.62516924623108,6.824791460680899,6.898992112649696,3.2663911567516086,0.5043413188417627,0.0033685196154568,10.395231339868984,4.885772998701772,6.40058067305093,1.552623976379283,2.3750778105240755,5.33579233013346,0.2831747706696955,1.747863566053795,0.1432023243056714,10.100738269314116,1.6094818251327234,3.651058553288549,0.1300555735914251,-1.6889922008776426,-0.1170045668022834,2.9160175749111845,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,7.769519532790486,8.564998001114395,9.351555288658563,10.124341433415578,10.878244250209733,11.608549474921968,12.311341662161926,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_26,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1187254502189195,0.7338523059828505,1.985885839623737,3.683670510087369,5.18510962821014,6.1222252780625,6.599154459956761,6.81870768865226,6.900530233824526,3.0974333900139155,0.5462340368967502,0.0049965503333079,9.902346125686355,4.4717242647398034,6.182926346895205,1.392368225162752,2.749501949796301,6.083904319209722,0.2444940581906237,1.4242144454107322,0.330923648247698,10.199916704452544,2.648304203540464,5.861213416290945,0.2242545089394561,-0.4795196798097269,0.0894655224447493,4.565663160144975,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,7.330768953191382,8.190412319970973,9.030474279677833,9.84729104238347,10.63736434407381,11.397517670037203,12.12512966933248,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_27,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2161754676695731,0.8970782400806689,2.1012696022423576,3.686466183833028,5.083280781365009,5.957071505351624,6.402567675393473,6.6078347545221625,6.684362621851868,3.1409678065065205,0.7057664932148734,0.0232249885494919,9.311807445114605,4.7700751083185775,5.532347556623619,1.6025336161887167,3.4462822448076538,7.692436146111385,0.4892670588406121,4.394299047680699,0.2237386718492896,19.38958754066003,0.6722685620099978,1.5880747884036392,-0.0655356777189189,-4.301196361519133,-0.1823079765073925,-6.042049035326699,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,9.26041374441962,10.075819832337707,10.85914949743151,11.607706894341678,12.319840671212924,12.994713202285505,13.63215198206698,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_28,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1538656575524379,0.7723979031128465,1.8379453704950968,3.3211933514875014,4.748227984685454,5.686212333323916,6.175441028609305,6.403108448321235,6.488333786443615,2.79326486999566,0.5973434739494677,0.0093088574135347,7.7379331816432595,3.7490465180058106,4.638876335912818,1.1740102087028292,1.6735188911892602,3.4751138200449576,0.0863348632527412,1.907188289914049,0.5223658871040486,8.919124416522767,1.1366056210169482,2.2936082495407355,-0.0210477907817211,0.282709033817468,0.4521384219564768,-6.862581633685633,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,6.651447691523567,7.448237834976899,8.24179533240538,9.025531457361271,9.79379469186114,10.541705215797874,11.265185161510992,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_29,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.097270901743531,0.6988918670885231,2.0806646601673497,3.861830860075966,5.316547602454756,6.188570671732734,6.625123961307571,6.824761393528848,6.89896788943708,3.2662272513066224,0.5042725588664704,0.0033667661170962,10.394578651611011,4.8852708851599,6.40026782375971,1.552420949935439,2.3724130309213614,5.329750397758151,0.2830618736644279,1.7500509905061865,0.1429897393837794,10.099955980016684,1.603835029798938,3.6384545402321993,0.1293462734399433,-1.6916803272774137,-0.1170147942469757,2.890900653771012,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,7.772345516794459,8.568045899460861,9.354831038904557,10.127831587721722,10.881921822211842,11.612379731233409,12.315286827079358,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_30,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1186986524242704,0.7337942658760591,1.985795395482964,3.6834840190711904,5.184745145194094,6.121691300626768,6.598515808979248,6.818016635716665,6.899818972038158,3.097289820074056,0.5461807904628335,0.0049935172841896,9.901237792312134,4.471418391001172,6.181960050173355,1.3921797823410724,2.755890029887525,6.098536620642244,0.245268625358338,1.4264978602580678,0.3309509606066978,10.220859641614256,2.654304613801403,5.874992630103096,0.2249515421411136,-0.4833948078139301,0.0887298977309435,4.591075634618471,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,7.326314390721785,8.184884214728259,9.02434712334508,9.840897670622704,10.630930605268787,11.391191624739726,12.119004293552823,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_31,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2162118192132652,0.8971387889384437,2.1014083985247907,3.686495105994777,5.083055547053498,5.9566511302831815,6.402042000604057,6.607259663838641,6.683768989337985,3.1410629433725266,0.7058170115022891,0.0232370777509975,9.311124191423312,4.770518253071981,5.53132284188534,1.6027737480752224,3.45131621173439,7.703834117723966,0.4899731053057154,4.399042262887179,0.2238690767114327,19.413606272890146,0.6744842953150448,1.593271090383544,-0.0653932779781535,-4.306750115449582,-0.1827990711017021,-6.039341712071944,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,9.249088032492876,10.06458281981845,10.848177444087932,11.59712122606604,12.309715286742865,12.985085934277558,13.623035269996628,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_32,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1538232731269449,0.7723176040576978,1.837893639915896,3.321070378700472,4.74791976031185,5.685744988867649,6.174882689579919,6.402506253605671,6.487714951655993,2.793184932663736,0.5972643335535841,0.0093033067540295,7.737346156723798,3.74879893496746,4.638519828346035,1.1739751415097346,1.6761578840036822,3.481130849729058,0.0867280974490814,1.9096903462628083,0.5223685386745855,8.931742552999545,1.1376571361796717,2.2961319521034365,-0.0209720521157206,0.2794422432536185,0.4517954636602246,-6.860427124998682,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,6.656219389530999,7.45156665489097,8.243854361367863,9.026515652103576,9.793895832355672,10.541098492173658,11.264023390875584,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_33,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0972817979761987,0.6989307641947683,2.080742475366363,3.861929981068748,5.316591306495195,6.188543280606997,6.625051299137225,6.824666084076203,6.898863867953503,3.266327350812425,0.504304218577448,0.0033677458449428,10.394980299414485,4.885518610061441,6.400354974106025,1.5524688423822206,2.370953974657492,5.326441437286197,0.2828413184387115,1.7484447277978572,0.1429679952879158,10.092408199397708,1.60342635767704,3.637457004684627,0.1293357950426209,-1.6897469735359831,-0.1168474946413819,2.891170875264264,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,7.76274972325718,8.55888867049666,9.346104420615308,10.119516451292784,10.87399658489876,11.604823821685272,12.308081619909586,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_34,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1186843988996455,0.7337556242510037,1.9857011890397005,3.683367094778679,5.184716975589961,6.121772424764287,6.598667691832056,6.818204394137541,6.900020622487278,3.0971673142141576,0.5461480985753348,0.0049921603065671,9.901176295836276,4.470912693796303,6.1822537189733175,1.3920216972477095,2.752077525287513,6.089797801725328,0.2447840017242245,1.424796091289811,0.3309553696604682,10.207501652315344,2.651061399324908,5.867506563706067,0.2245807765317036,-0.4806225601087099,0.0892018517151219,4.577488862746395,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,7.324043021754188,8.183630607709283,9.023803606492546,9.840843240549024,10.631208799925906,11.391692452544946,12.11965065617088,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_35,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2162022511015101,0.8971203471592992,2.101382984103952,3.68651646290428,5.083153672262027,5.956805743436886,6.402226812232984,6.607458603326712,6.6839732235935525,3.141061781835309,0.7058008092494734,0.0232347874766916,9.311414223668535,4.770390447461862,5.531757768615751,1.6027560538270753,3.4643884981220587,7.733432513320046,0.4912940150423206,4.402281789304067,0.2245101762447845,19.452928659339843,0.6889189399535358,1.625867426153186,-0.0637998965913839,-4.310168476512371,-0.1835197520524801,-5.986863928135337,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0237,9.247712101982614,10.064699754925096,10.849349360257609,11.599022501763091,12.312107454515834,12.987795906229506,13.625938125424325,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_36,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0626117100373016,0.3751347330878404,1.3819256518722831,3.1981004095020573,4.957906648302089,6.087523398226733,6.668063050754826,6.9363208528212255,7.036440795808308,2.540070960629992,0.2687455265242799,0.0039566817856179,8.503518639007403,2.912681497055973,5.128515777846183,0.6356813235865982,5.253356567627347,11.791963444303178,0.5325613470955396,3.330683432938655,0.8432498747255729,23.17520088241024,3.506125640264416,8.2717052661035,0.4979659714799619,-3.330683432938655,-0.8432498747255729,21.964362735865016,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,14.71992058146866,15.509821945613382,16.22124220190612,16.863255047402877,17.443703951809837,17.969371060301953,18.446149588259704,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_37,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0678528573336897,0.3749618533853787,1.247385669264988,2.7247319086716124,4.151112003516348,5.075725547750621,5.554280141513021,5.776208751437161,5.85916708294905,2.19297144477234,0.2741726144561756,0.0046545931943424,6.653923685618548,2.0143734960346564,4.230766931544147,0.3646846361665161,5.747617662661605,12.604879189043103,0.6755896210993811,7.554942397747198,1.002418484910962,26.93939219645329,-0.6513119982398772,-0.9317475961956464,-0.0760242488144719,-7.554942397747198,-1.002418484910962,0.6329067494684405,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,15.251999327525956,15.971070339833531,16.619986763140137,17.206879839073533,17.738896721187544,18.22221103374273,18.662132767923744,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_38,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0481310492212955,0.3514287704213501,1.339739095745092,3.0454892682470507,4.6779615582166185,5.726704173665912,6.266781678500165,6.516646817603732,6.60995410263248,2.432494303451782,0.2445789200138921,0.0022751959231929,8.036108954337967,2.6085476200000848,5.048163259989095,0.5560171967760698,6.906061448493663,15.48983602114337,0.7729309262528994,5.663204748738051,1.0283003823836516,30.817155187578912,3.614536040359647,8.607682261583133,0.4647864253769017,-5.663204748738051,-1.0283003823836516,20.032097656918992,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,14.48098352827171,15.443825308150444,16.289144126927887,17.033269880293524,17.690281458098507,18.272155835824503,18.78904179524984,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_39,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0626593447331688,0.3751594143835889,1.3819949052305671,3.198661108850215,4.958929355061235,6.0887954254156265,6.669448770240235,6.93775596278238,7.03789384537161,2.5404431298819623,0.2687914840882004,0.0039630723629948,8.507203750382656,2.913265557512605,5.131005184950971,0.6356947765750133,5.250811604987596,11.786178739430412,0.5322307025280665,3.328466480566819,0.8429757976692628,23.163962652615325,3.50445861659326,8.267842380405371,0.4978010882461517,-3.328466480566819,-0.8429757976692628,21.958926152748308,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,14.881844036077773,15.652346440879318,16.34713167848289,16.974889303136226,17.543109692667876,18.05826332703609,18.525975257429533,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_40,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0678702284324611,0.3751643689544184,1.248089450848519,2.7258013774950127,4.152387867905005,5.077131342220903,5.555757520702736,5.777720677727344,5.860692160616627,2.19394305117842,0.2743006413148433,0.00465634173301,6.656780795455584,2.015904899392604,4.232324538515798,0.3650913164531193,5.755611855668895,12.623468276318215,0.6766297828684705,7.55855456874536,1.0030066856650155,26.973011503408824,-0.6413098266845555,-0.909115856941695,-0.074947191223254,-7.55855456874536,-1.0030066856650155,0.6678174101984662,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,15.24577717759722,15.965676410251088,16.614975564989052,17.202030796198912,17.734111298577155,18.217455294771725,18.657405312136568,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_41,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.048128936976703,0.3514010740834786,1.3393395654250144,3.0442951894466463,4.676180029553482,5.724638066023387,6.264592338178965,6.514405157142408,6.6076936163994775,2.431570489748318,0.2445666632243981,0.0022749710390137,8.032361635070503,2.60667726292546,5.046426211536133,0.555538771783756,6.906593310279993,15.490812472081958,0.7730307858966511,5.666047046708202,1.0284710636773706,30.820570276027464,3.6118628032754247,8.60180097226005,0.4644346392275156,-5.666047046708202,-1.0284710636773706,20.019705142607723,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,14.421176418358264,15.390218291007727,16.240621462357222,16.989040310303658,17.649756889661134,18.23487946077016,18.75464514461485,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_42,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0626023638471055,0.3751564746998953,1.3820912403322383,3.198386276318664,4.958178036398352,6.087735372596273,6.668232255169972,6.936467809102562,7.0365790684359455,2.5403316774004594,0.2687510061605068,0.0039553211178717,8.504159780992039,2.9132675781867587,5.129002348068265,0.6360541716462494,5.256624197102403,11.799793942563053,0.5329232650357802,3.329252757246345,0.8434162997987349,23.187742205440863,3.513615679765853,8.288515300390877,0.498869661654603,-3.329252757246345,-0.8434162997987349,21.995866087099667,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,14.729533031645326,15.512971729728832,16.220361894284306,16.859895910556947,17.43886273364771,17.96369147697461,18.440048105915643,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_43,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0679104585649985,0.3750663205453075,1.2474622409266147,2.7246024365464105,4.150703313549784,5.075112373111999,5.553555973024456,5.775432114750005,5.858370684758494,2.192929564941885,0.2742712935315111,0.0046628247794208,6.653354573169189,2.014008483030904,4.230431004359691,0.3644775748646309,5.73977662211191,12.586980182264538,0.6746728891833069,7.550392823120595,1.001500333517716,26.905499654330665,-0.65852349613007,-0.9483265571029398,-0.0768784037736786,-7.550392823120595,-1.001500333517716,0.601204400836167,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,15.240929836644437,15.961818500711445,16.612090327829065,17.20002322809129,17.732858218356697,18.216830784271103,18.65729276253297,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_44,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0481080356860789,0.3514188467577721,1.3394655406569695,3.044514322208127,4.676477118032706,5.724990042234732,6.264975513058632,6.514803591512139,6.608097893260023,2.431759524643841,0.2445642339346819,0.0022725756414726,8.032447222784874,2.607206241824388,5.0463119609242,0.5556541600474432,6.910646313942324,15.500068988290291,0.7735981687672508,5.669888394678623,1.0288297601991432,30.838459935010764,3.614539984376763,8.607960001657414,0.4646590427997005,-5.669888394678623,-1.0288297601991432,20.0255905261465,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,14.358138022593971,15.333473226653767,16.190198399369176,16.94452060582926,17.610543416071536,18.200336075045595,18.72416438485192,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_45,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.062614637079285,0.3751088607440995,1.382114893172532,3.1989283207877195,4.959284035403231,6.089209941257873,6.669897689590861,6.938221773827469,7.038366129772979,2.5406706153011185,0.2687267757844221,0.0039572774591581,8.508056762320372,2.9140685143632146,5.130962937322421,0.635742855988493,5.254289915764753,11.794169210683403,0.5326299283763917,3.329956224845712,0.8433594279755976,23.17876301985868,3.5083220013029948,8.276668125285443,0.4982655912786373,-3.329956224845712,-0.8433594279755976,21.976011221437272,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,14.776148151316498,15.55926773573148,16.26480916616019,16.9017542393555,17.477845245693185,17.9997656770117,18.473318655219124,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_46,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0678903164502404,0.3750620197218908,1.2475375855401594,2.724827396558306,4.1511222345296845,5.075687043245407,5.554220129219226,5.776139726166279,5.859094849839329,2.193095903258604,0.2742573618860391,0.0046596854766512,6.65530146717286,2.0148278773765447,4.231386885088325,0.3645305640753262,5.736767690656301,12.578989579013642,0.673850266422061,7.550019727499581,1.0024430423016717,26.895063406014906,-0.6685717234009221,-0.9702434872848856,-0.0775919173331928,-7.550019727499581,-1.0024430423016717,0.5945869745810113,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,15.260397571302194,15.978861084902888,16.627051313871664,17.213201463175142,17.74451095570469,18.22717745192561,18.666519298409163,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_47,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0481674132588421,0.3516790580546726,1.3403432653065224,3.0463542935252264,4.679122820526384,5.7281093768326645,6.26832766416068,6.518261133196004,6.6115944299961,2.4332701364757034,0.2447580119473528,0.0022780109913346,8.038620038875765,2.6102960422539803,5.049728561871881,0.5568340052930965,6.912204406685079,15.50428485503498,0.7735817640658039,5.662229308875832,1.0288251021058037,30.84170742825756,3.6258536412904654,8.633226987289296,0.4661897709901425,-5.662229308875832,-1.0288251021058037,20.08298767060941,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,14.357864521840682,15.3343490313901,16.19115292356104,16.945053848062265,17.610466376587304,18.19962168663815,18.72286384914055,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_48,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0626291128474747,0.3752275067328838,1.3823590939081978,3.198951842343281,4.958953162763015,6.088630585654758,6.669188172223293,6.937451816111454,7.037573581719484,2.5408029645753043,0.2688078800300246,0.0039587756725784,8.50644090020008,2.9145044097513564,5.129856930258899,0.6361728189384362,5.25777680875218,11.802152472798134,0.5330961596910823,3.33274473098872,0.8436817301015517,23.193983366114832,3.5111084445783205,8.283053993388416,0.4985373995242706,-3.33274473098872,-0.8436817301015517,21.984426760276428,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,14.85160594650288,15.62599811424472,16.32428327843198,16.955111317091646,17.52598568908403,18.04341401990348,18.513066925247465,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_49,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0679178932246502,0.3750265954657221,1.2470291992730074,2.7237225600414563,4.149637715373502,5.074005583451066,5.552444865500399,5.774322213722923,5.857261708432856,2.192173385013834,0.2742621414482517,0.004663805064353,6.651133214614063,2.012688242776,4.229159924765641,0.3640337867682955,5.739656954504972,12.58561879990911,0.6741310590748227,7.550492723929001,1.0028282984222936,26.907178420937576,-0.6648556250076889,-0.9617430696254252,-0.0770956085457307,-7.550492723929001,-1.0028282984222936,0.6142450542182067,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,14.962705086005023,15.714158684405673,16.39028678677579,17.000301353814056,17.552146863670444,18.05260290238558,18.50744930065057,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_50,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0481183448541553,0.3514216148204804,1.3394892800486056,3.0444826768221707,4.676280279637815,5.724645225819778,6.264543774983051,6.514329364094943,6.607607442457868,2.4317642343774817,0.2445699851585822,0.0022737597765913,8.033024061571018,2.607398888762728,5.046524966918232,0.5554996806224249,6.909550618292233,15.497369233068422,0.7734995586226603,5.671337272543614,1.0287944404994278,30.834648184096217,3.6109132859084623,8.599843072871865,0.4642020771656567,-5.671337272543614,-1.0287944404994278,20.00923633310109,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,14.57740609268684,15.52848308362106,16.363574975239818,17.0989028214942,17.748378079857073,18.32380084888467,18.83515510760247,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_51,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0626403253997525,0.37511804640849,1.3816878914791662,3.1977176251490005,4.957421403423636,6.086961762397105,6.667457970118253,6.9356947538835705,7.035806703345778,2.539727903510504,0.2687589807389094,0.0039605021782987,8.503241984055167,2.911795639624563,5.12876773413601,0.6352840989418856,5.250506278579678,11.784724512472229,0.5321812102659311,3.334177801785079,0.8434470682224634,23.165642313437367,3.495679446559889,8.248488490779378,0.4967818162210769,-3.334177801785079,-0.8434470682224634,21.926663521867468,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,14.752114088830268,15.537518135842456,16.245241042602224,16.88419117206246,17.46208592421583,17.985609303027047,18.46057726474275,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_52,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0678680412351984,0.3750063466934598,1.2474935868438026,2.724787046709101,4.151073831792624,5.075629360789601,5.554156113095476,5.776072377177689,5.859026187693821,2.1930565076155486,0.2742058936644504,0.0046568221600504,6.654135315805311,2.014284002155608,4.230893370974041,0.3645953008758831,5.747494920392626,12.604856364556609,0.6757453993488529,7.555570508454192,1.00203204733921,26.9385307985985,-0.6504874775261755,-0.9301173421957534,-0.0760974648939764,-7.555570508454192,-1.00203204733921,0.6240305500994721,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,15.187339463719283,15.915850925101084,16.571964710460435,17.164509647444007,17.701080966056487,18.18814776675843,18.63121992679437,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0237_53,RSM0237.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0481057133764787,0.3514101497049033,1.339638148206573,3.0451414927393508,4.677434112042144,5.726087418021965,6.266124508660211,6.515971958236065,6.609272781935165,2.4322300422861187,0.2445537585047758,0.0022724424335753,8.034609882473402,2.6080401934051234,5.047425191215087,0.5559498143748716,6.908686734673897,15.495876251322173,0.7732691539529589,5.6648561441179055,1.0285393141974255,30.828441762279656,3.617123680080626,8.613582282644247,0.4650614830769848,-5.6648561441179055,-1.0285393141974255,20.04117328162056,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0237,14.363433755598242,15.336154949701385,16.190920097316397,16.94379310975843,17.608760544519914,18.19779878650752,18.721101204522,"[Mn].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-],pcu.cat0","linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Mn], topology pcu"
RSM0047_0,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0010436833871638,0.0888166897009631,0.6190564329379034,1.5341603681026157,2.346249777003441,2.8392240230182897,3.0853441725700645,3.1975467152336154,3.2391851738354216,1.2133652258330514,0.0452069569897524,3.204743696300672e-07,1.2081761783061256,0.5072401403363632,0.9624519193095225,0.1498684884357546,42.00000000000001,100.40030000000002,3.0000000000000004,2.0,0.86,68.0,-42.00000000000001,-100.40030000000002,-3.0000000000000004,2.0,0.86,-68.0,-42.0,-100.4003,-3.0,2.0,0.8599999999999999,-68.0,-42.0,-100.4003,-3.0,2.0,0.8599999999999999,-68.0,RSM0047,19.73465906180684,19.923394695500555,20.07160485006364,20.189885245656,20.28564645121497,20.364177346406283,20.42932315920528,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_1,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0010433990267581,0.0888055995953509,0.6190201601604999,1.5341155196089291,2.3462082009122813,2.8391863295437343,3.0853087027606687,3.197512303713805,3.239151161056715,1.21332110624927,0.045200293117216,3.2029943715456265e-07,1.2081513241475994,0.5071800741185168,0.96245642409081,0.1498506456353499,42.0,100.4003,3.0000000000000004,2.0,0.8599999999999999,68.0,-42.0,-100.4003,-3.0000000000000004,2.0,0.8599999999999999,-68.0,-42.0,-100.4003,-3.0,2.0,0.8599999999999999,-68.0,-42.0,-100.4003,-3.0,2.0,0.8599999999999999,-68.0,RSM0047,19.735189898449327,19.92394094479748,20.07216363468972,20.19045431018856,20.28622401942193,20.364762009735145,20.429913791747776,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_2,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0005566041768221,0.0888941612992359,0.9020525622418888,2.654833011042396,4.325181970024997,5.357177147789932,5.874702721800313,6.110941405907809,6.198646957311967,2.01592388572677,0.0404634633376828,6.473897526844504e-08,5.947559674151265,1.905043545521732,3.881282087312436,0.2168589908835217,41.47329122487052,99.42966650703298,3.0788818708117525,3.631054966494016,1.2837392285181284,76.15527483247008,-41.47329122487052,-99.42966650703298,-3.0788818708117525,1.8956538086354724,1.2837392285181284,-76.15527483247008,-41.0,-98.4043,-3.0,3.0,1.35,-73.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM0047,19.333721017449115,19.49138051347076,19.614940578033263,19.713418110999704,19.793074365748343,19.858355910818187,19.912484451540585,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_3,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0005566130898513,0.0888909208973372,0.9020119557236012,2.6547293805396053,4.325038924831691,5.3570176404181,5.874536902790621,6.110773105570749,6.198477797413172,2.0158403125874487,0.0404622306139548,6.475233016317109e-08,5.947207315313733,1.904891790512804,3.8811121011758254,0.216847550136395,41.47331679423736,99.42972190204344,3.078886132372891,3.631089058983129,1.2837356488067715,76.15544529491564,-41.47331679423736,-99.42972190204344,-3.078886132372891,1.895594146779524,1.2837356488067715,-76.15544529491564,-41.0,-98.4043,-3.0,3.0,1.35,-73.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM0047,19.34746802196689,19.50513924092097,19.62870772863388,19.72719147702675,19.806852426895123,19.87213759302409,19.926268978444824,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_4,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1966950029346706,0.6947950303498939,1.444410880787374,2.319051147435528,3.1232013383793893,3.6522260791248096,3.9292629477339984,4.058476194416873,4.106894310553994,2.017265624261831,0.557942071026249,0.0321162899605457,4.627224287305049,1.139282448669844,2.774369072501941,0.0645840070049287,2.561094336494381,5.636680036064389,0.4913568683484202,6.3801494412836535,0.1998718929827257,21.7013089439156,2.561094336494381,5.636680036064389,0.4913568683484202,6.3801494412836535,0.1981948953527544,21.7013089439156,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0047,7.414478284451544,7.822033857796786,8.211605186990559,8.587441979538069,8.952049019594028,9.306541017758494,9.65108945162114,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_5,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1967178343262015,0.6949681296272217,1.4467252480833204,2.3275965458653207,3.138157897877741,3.6711633924620592,3.9501804586056206,4.080292063556424,4.12904268395629,2.023433709521409,0.5580404735293572,0.0321200171644846,4.643704478137591,1.1543300589409562,2.7802506445174253,0.0673616422436348,2.5563595031360173,5.626632762468746,0.4884202403852091,6.339797860001065,0.2012012876839042,21.53154287750117,2.5563595031360173,5.626632762468746,0.4884202403852091,6.339797860001065,0.1993424341906549,21.53154287750117,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0047,7.329910697845633,7.737497527159248,8.127040490784225,8.502816965314109,8.867346642684627,9.221752291721634,9.566209839770409,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_6,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1969329769554934,0.6956696564997774,1.4789678510824982,2.4886441996839226,3.4415535595868767,4.061527504912831,4.382793213725945,4.531796598468724,4.5874924265718136,2.1328562002840386,0.5583352888407263,0.0322071774079194,5.081470823597299,1.3618352300069918,3.1487425810304086,0.1460376733806025,2.872404048337322,6.319934187377611,0.484551379761086,6.290264375703584,0.294703379784056,20.015127052311843,2.872404048337322,6.319934187377611,0.484551379761086,6.290264375703584,0.2878251191232196,20.015127052311843,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0047,7.237683061465074,7.640856071351276,8.024745663237814,8.394117338962491,8.751832768476278,9.099249801073103,9.436704192199407,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_7,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1966730068128513,0.6948155652650259,1.4445492794414343,2.319346460801688,3.1235570655397176,3.6525814111163633,3.929608432137341,4.058815177754967,4.107230570058895,2.0175155157096176,0.557948525326653,0.0321051167733372,4.628015183918722,1.1397360825201714,2.774799359065751,0.0646926308144202,2.560947620761215,5.636368554183789,0.4913345016972997,6.379802443199434,0.1998425391542639,21.700498206145085,2.560947620761215,5.636368554183789,0.4913345016972997,6.379802443199434,0.1981652212871612,21.700498206145085,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0047,7.416279192653313,7.823865373673488,8.213463208766079,8.589324081101934,8.953953589989354,9.30846681839456,9.653035399459238,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_8,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1967828190422879,0.6950950715586508,1.4469434664833218,2.327920362330458,3.138500896807053,3.671486351636207,3.950485664568117,4.080587615058432,4.129334415010224,2.023730202785698,0.5581543563700482,0.0321397859509748,4.64445230648053,1.1547689719456011,2.7805958972515,0.0674739858653435,2.5562811887749786,5.626482644325227,0.4884106100937396,6.339561675112077,0.2011663535218713,21.531341157099703,2.5562811887749786,5.626482644325227,0.4884106100937396,6.339561675112077,0.1993062876056789,21.531341157099703,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0047,7.332391830848441,7.739994916125332,8.129552447843494,8.50534268591708,8.869885677324403,9.224304287683356,9.568774428218996,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_9,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1970772476668688,0.6959138415164404,1.4792691456878189,2.4889411581538443,3.4417790469449527,4.061687745673448,4.382916177881577,4.531901679049082,4.58759073890379,2.1331653575051504,0.558562699757846,0.0322535514476689,5.082327778621913,1.362018254065099,3.1497871747783344,0.1463179435694113,2.8712713846971862,6.317408232868585,0.4843724871044717,6.288114582554868,0.2946100175003089,20.00785387280518,2.8712713846971862,6.317408232868585,0.4843724871044717,6.288114582554868,0.2877379670156375,20.00785387280518,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0047,7.241602701509724,7.644766236139085,8.028628104923552,8.397961594316534,8.755633316522848,9.103004258973458,9.44041215988158,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_10,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1967126053297682,0.6948556915943521,1.4444856685103595,2.319128679084593,3.1232973472292227,3.652339074091702,3.929385603759797,4.058603468522722,4.1070233292949,2.017340065980613,0.5579935713962457,0.0321193988904069,4.627704829263316,1.1393336662482665,2.77474198829454,0.0645749094155748,2.5610026485259505,5.636460193351112,0.4913554013491542,6.380223991392853,0.1998670023692001,21.70148671973737,2.5610026485259505,5.636460193351112,0.4913554013491542,6.380223991392853,0.1981926743503051,21.70148671973737,47.0,111.40306,4.0,14.0,0.8399999999999999,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0047,7.41573487797177,7.823318192016869,8.212908842894072,8.588758603849682,8.953373765086669,9.307870178116458,9.652420203413312,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
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RSM0047_25,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1020241786065804,0.3661105612696939,0.8036868576929673,1.6104974684415008,2.536024769990354,3.18672464854538,3.5347782322322314,3.698367079241737,3.759843934393748,1.2991644128047408,0.297609460563336,0.010764616974847,2.06921611413014,0.6651174574551428,1.4572633424020218,0.2861151410518308,5.560870889986738,12.801458159201658,0.530602762813041,4.481597470573711,0.5423069294659238,19.19903571434456,1.480674800291053,4.098990001037436,-0.01536771230491,-4.481597470573711,-0.5423069294659238,-2.6397832903734777,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0047,18.540029690833624,18.87038780022269,19.136616327697283,19.356628697665013,19.543565020258825,19.70707836130437,19.854218558688235,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_26,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.5289895248798483,1.363136835342226,2.1700426814997646,3.024924300471816,3.8438751945888487,4.397424575714421,4.690678650696267,4.828112868043554,4.879710119573971,2.726612612516461,1.1775009527609128,0.095763540764755,3.333392219761424,3.858533257805434,0.9331141380690108,1.031901671457845,13.752573649278268,31.979093949876823,1.417863145107808,10.955718972090828,0.9241740901080042,45.99567560450031,4.948399039755479,12.905201825330089,-0.0494992898126561,-10.955718972090828,-0.9241740901080042,-12.69882179231827,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0047,17.97513354521223,18.33170578415756,18.63992563156132,18.910402859923508,19.15064791499689,19.366063579287506,19.560622075356097,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_27,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.10201116424593,0.3660430502845782,0.803232129127348,1.6095835946332095,2.5344694702403023,3.1844928366273133,3.53210517096494,3.69546803857881,3.7568569554124127,1.29840839049167,0.2975697550853823,0.0107619513910632,2.067414342083421,0.6638384469534502,1.4560651306808088,0.285183066526392,5.544582569405704,12.761460542566097,0.5293106178698103,4.48328332811952,0.5427196896756831,19.178647447538943,1.4595190936275642,4.049118025229626,-0.0168153742332296,-4.48328332811952,-0.5427196896756831,-2.66639223658265,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0047,18.55825684288514,18.87893437533811,19.137444772827173,19.3512277358546,19.533079351564435,19.69239891240697,19.83604626956299,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_28,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1020365429095948,0.3661287004515537,0.8036727388487153,1.6103700297332617,2.5357828713467803,3.186414205839719,3.5344342295517834,3.6980079354305615,3.759479197041219,1.299080582257968,0.2976278246343657,0.0107672123875369,2.068761713882419,0.6649314512707774,1.4570342501829214,0.2860919554058581,5.56190998932686,12.80393996747322,0.5306640355690649,4.481541856738672,0.5423694137972154,19.200702760763743,1.4817318526979462,4.1015391767990135,-0.0152756081038352,-4.481541856738672,-0.5423694137972154,-2.6368829861522616,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0047,18.54010707404425,18.87049590772829,19.13674913917619,19.35678149484421,19.54373406588273,19.7072606829074,19.85441179310876,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_29,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.5291401242854753,1.3633095384452134,2.1701739664228388,3.025056989528597,3.84401532573899,4.397562169514503,4.690812304779911,4.828244096743128,4.879840346106957,2.726741350516218,1.1776793509249175,0.0958177083929833,3.333974862258656,3.85883548751632,0.9335954501995218,1.0320399315769528,13.752012453869328,31.977699722096933,1.417841009695218,10.956135464766854,0.9241772880149972,45.99566557920844,4.947432956880123,12.902930425049703,-0.0495889064696488,-10.956135464766854,-0.9241772880149972,-12.701531067386249,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0047,17.963130527317805,18.31964954917073,18.6278226939238,18.898259023606943,19.138468254736143,19.353852487206726,19.548383334675048,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_30,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.102031377099599,0.3660672231674155,0.8031852058239869,1.6094226133614564,2.5342252723101923,3.1842019552728327,3.5317913211035403,3.69514372008568,3.756528747588281,1.298284339361588,0.2975974044569835,0.0107662005347851,2.0670228859076736,0.663623556073951,1.4558306328370243,0.2851244337921239,5.544850254911983,12.762078436737696,0.5293679783649516,4.483895414154644,0.5427074279872268,19.18026034589224,1.4594028216930175,4.048863539510142,-0.016861655686537,-4.483895414154644,-0.5427074279872268,-2.668925016167312,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0047,18.56040491691502,18.88141885218132,19.140192970332883,19.35418640557508,19.53620871502164,19.69566871511228,19.83943311158588,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_31,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1020496321550302,0.3661481640411032,0.8036600257321574,1.6103142338687595,2.5357136248249,3.1863485048693843,3.534373782028717,3.6979506769332375,3.759423250325159,1.299036520093651,0.2976479334286483,0.01076994915672,2.06867149055652,0.664857736342475,1.4569999181804856,0.286075857064836,5.561182478236826,12.802200024252029,0.5306179780682662,4.481551437307378,0.5423314777069412,19.199493329817702,1.4809971825534536,4.099769731706633,-0.0153365394738554,-4.481551437307378,-0.5423314777069412,-2.6386873718671606,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0047,18.53893129223305,18.86917023880761,19.13530352507722,19.3552391307858,19.54211313629684,19.70557557277407,19.85267395380809,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_32,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.5291127718919457,1.363282127594484,2.17017187119863,3.0250948655282075,3.844110399970919,4.397703853685427,4.690980503318653,4.82842507233088,4.880026170840037,2.726763020977876,1.177649037062627,0.095807847599424,3.3338902444538863,3.859059567377886,0.933302931669216,1.0320910010407764,13.751868094775888,31.977366516850186,1.417825135990091,10.95599651801005,0.9241664526561396,45.99513100024447,4.947402203680542,12.902843342427763,-0.049585845859133,-10.95599651801005,-0.9241664526561396,-12.701308273724496,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0047,17.967898061404323,18.32448763234133,18.632722674430244,18.903212886973765,19.143468857768607,19.358893601454323,19.55345959684112,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_33,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1020129724799057,0.3660471799211833,0.8032228891629435,1.6095122840696614,2.5343332774491523,3.1843179005785385,3.53191146672983,3.6952659303245214,3.7566517539857975,1.298361471468544,0.2975733490957281,0.0107623248306289,2.067208583323069,0.6637513228896181,1.4559495617114002,0.2851600618313011,5.544723599522532,12.761778597681523,0.5293219925870152,4.483400883952391,0.5427419392695619,19.17916724098064,1.4595294619909114,4.049163342344999,-0.0168156710128608,-4.483400883952391,-0.5427419392695619,-2.666339303014398,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0047,18.56162733753577,18.882299926267887,19.14080766706553,19.354589592742915,19.53644138229481,19.69576204640392,19.83941121713209,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_34,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.101973762332925,0.3660297680049602,0.8035943965737127,1.610331909390595,2.535770159874473,3.1864107016021617,3.5344334515455125,3.698007980729322,3.759479480764048,1.2990293880556365,0.2975310299914033,0.0107540646542966,2.0688165067829067,0.6648874715593803,1.4570466621999352,0.2860352389399012,5.561719091378695,12.80346805071346,0.5306553769524474,4.481658414014024,0.5423696447766456,19.20064602862039,1.481424502568217,4.100815245916545,-0.015303406663649,-4.481658414014024,-0.5423696447766456,-2.6377053160234665,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0047,18.54080048414852,18.871442030253423,19.137891211093223,19.35807881790924,19.54515682733998,19.708786591683968,19.856023845044184,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0047_35,RSM0047.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.5291000713224336,1.3632637764842128,2.170164900388693,3.025136493563348,3.844181518557389,4.397781018282532,4.691057106645485,4.828500629073397,4.880101213865582,2.7267878410976856,1.1776317790798985,0.0958033462409383,3.334384041881981,3.858989826173812,0.9337450924291768,1.032038226044893,13.75186796603839,31.97738200627357,1.417818804639169,10.955843682777427,0.9241592084317738,45.99480038141204,4.947537309295382,12.903151811666117,-0.0495696381513321,-10.955843682777427,-0.9241592084317738,-12.700737330208009,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0047,17.978968505153237,18.3355198692846,18.64371952624184,18.914177746246605,19.154405161611315,19.3698045838494,19.56434818807177,[C]#N.[Cd]pts.cat0,"linker [C]#N, nodes [Cd], topology pts"
RSM0059_0,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.003702549092743,0.1591501732426783,0.9703154823572538,2.719838381534445,4.746991292744935,6.196611973432275,6.981073808015842,7.351941431023698,7.491666755316505,2.0437336628739406,0.0887834575735326,4.666176074635584e-06,7.068759144652213,2.0153167357099377,4.5506484615790015,0.278297545129696,21.40737768206272,48.3364800459999,1.9923151420037244,4.492719163985702,1.3388551829334243,63.30605623100485,-21.40737768206272,-48.3364800459999,-1.9923151420037244,4.492719163985702,1.3388551829334243,-63.30605623100485,0.0,0.0,0.0,5.0,1.54,0.0,-22.0,-49.5393,-2.0,0.0,0.0,-66.0,RSM0059,19.65065401967825,19.987358021004937,20.251851431772337,20.46310387467404,20.634325012897243,20.774914908716088,20.89169555374264,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_1,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0066076886180639,0.2161696586380181,1.13432587329471,2.814609964547319,4.573160265458817,5.777123702439244,6.4174137320890186,6.717984773268867,6.830907564070528,2.1932480168753696,0.1259034722783055,1.2380902429616255e-05,7.389084162420934,2.177689310153488,4.87551138112414,0.3885152587621165,19.07628223910114,43.04560659435444,1.7693264067407315,3.919256628896509,1.140388331136397,55.807578076533055,-19.07628223910114,-43.04560659435444,-1.7693264067407315,3.80516823625938,1.140388331136397,-55.807578076533055,0.0,0.0,0.0,5.0,1.54,0.0,-28.0,-62.53806,-3.0,-10.0,0.0,-101.0,RSM0059,18.8071649683941,19.25381132321773,19.60982827415385,19.89759508521801,20.13315686514698,20.328201077072947,20.49137334647481,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_2,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426336498057412,0.5515537628213233,1.9328691331451424,4.835241036979822,7.976345509968584,10.114356484174484,11.242973970607231,11.77060196135368,11.968464966668147,3.735977741151313,0.4182761291060355,0.020385241144226,22.41948252535396,7.177993162304395,13.202757338268444,0.9690789079530172,3.4194949900538107,7.484967186063922,0.6449755425676739,8.579299330595202,0.3211039057342519,28.05081302946812,3.4194949900538107,7.484967186063922,0.6449755425676739,8.579299330595202,0.3211039057342519,28.05081302946812,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0059,3.3521734659418394,4.006279090875606,4.679722255326034,5.357163279499559,6.02627498259694,6.6779760015344864,7.306168457330404,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_3,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1446563185750455,0.6032261920651031,2.0932414342286703,5.01832743607871,8.086450709748606,10.146593674088304,11.227803276345092,11.73202240342484,11.920918145796966,3.925974085448335,0.4509064011691132,0.0202414228587964,22.407257276470816,7.939156764661884,12.98406837449228,1.2984321593218786,4.072961622384824,8.877514618427501,0.7316310351903319,9.92600990390748,0.4484240918723358,30.84936435139911,4.072961622384824,8.877514618427501,0.7316310351903319,9.92600990390748,0.4484240918723358,30.84936435139911,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0059,2.724829009317875,3.344218333703805,3.996350657299669,4.664034088050711,5.332933273437073,5.992037371760065,6.633522079154602,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_4,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1506953636545064,0.6390415497533656,2.262205237292198,5.364447443793277,8.56631580443433,10.707167216978032,11.829893577299227,12.35343643858162,12.54957476872364,4.215151012905433,0.4738919949068728,0.0217904850335923,24.95836661096178,9.281608314382348,14.38907983648355,1.8529825668904687,2.950619439469967,6.482527063385205,0.5798923131557262,7.589757944715775,0.2280296677132589,25.83936472355099,2.950619439469967,6.482527063385205,0.5798923131557262,7.589757944715775,0.2280296677132589,25.83936472355099,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0059,3.1527947752077896,3.832237261410976,4.529985611944837,5.229298785139141,5.917266958808802,6.584679784463513,7.225540074961141,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_5,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422682091273259,0.5234727035170108,1.7530372321626495,4.310167302614624,7.070746998446988,8.951685864499858,9.945780143313398,10.4108362919524,10.585288781499028,3.3434081260505013,0.4025581736734755,0.0204971422894206,18.024734157040324,5.552097052253974,10.710321060141922,0.6242419876524435,4.697198955641678,10.215027397074824,0.8063156640619299,10.966483155010204,0.5584002172120404,33.08987490867275,4.697198955641678,10.215027397074824,0.8063156640619299,10.966483155010204,0.5558110584530845,33.08987490867275,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0059,3.3015697248565608,3.953782297269833,4.628256166292847,5.309011739522551,5.98297032159018,6.640371270188993,7.274582170429189,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_6,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1423856798086683,0.5386362464468395,1.8921331546694988,4.786682888891811,7.916898839755489,10.041164080807205,11.160679788399984,11.683663503416389,11.879724765061477,3.6891527599928113,0.4106239357033474,0.020423937572098,22.02981112632616,6.975501251243094,13.019915256195224,0.9543941093944738,3.589248730634518,7.852837815411081,0.6733714156445144,8.976220055790632,0.3446519051574336,29.189755441943408,3.589248730634518,7.852837815411081,0.6733714156445144,8.976220055790632,0.3446519051574336,29.189755441943408,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0059,3.5066306560799894,4.157492165127888,4.825632341438171,5.496496917593676,6.158340257273587,6.802496675387268,7.423154649695683,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_7,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1453497088261304,0.5959803204660252,2.05703523221942,4.946435521152693,7.986687576687119,10.032233565163509,11.107031426919928,11.608546565921031,11.79647555699405,3.866011275505825,0.4473628743034367,0.0204704122817514,21.87056900203374,7.659537210925428,12.740300663575251,1.2531336578251933,4.101991229347344,8.94668397737848,0.7425648817530653,10.042510283371866,0.4408755908647222,31.46958557597786,4.101991229347344,8.94668397737848,0.7425648817530653,10.042510283371866,0.4408755908647222,31.46958557597786,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0059,2.5724502501912494,3.1975211947702182,3.857472907503387,4.533989094266136,5.211976788574528,5.879943029461052,6.529775327109809,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_8,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.149475591492288,0.6365130055559938,2.242747828486769,5.275836936644434,8.417721280034534,10.529134791689382,11.639413238414315,12.157778802030354,12.352074382181645,4.152385554272688,0.4713757775598968,0.0214933551163415,24.043083320557766,8.961941808640825,13.926034969099938,1.7821412936921828,2.78255076720283,6.11126704800107,0.5448939307992293,7.141702213596664,0.2191726212510052,24.229821319931894,2.78255076720283,6.11126704800107,0.5448939307992293,7.141702213596664,0.2191726212510052,24.229821319931894,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0059,3.3140806798877054,3.9829108380013656,4.668760399368603,5.355989937771071,6.0323665659425325,6.689064612788176,7.320281150950447,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_9,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1423832296501782,0.5310999133148261,1.8069381436776608,4.426789350678344,7.228677788786404,9.12787961346254,10.129056405095133,10.596878850796536,10.772283334832084,3.4400458433159367,0.4061331340917362,0.0205294461821426,18.895559865798145,5.929227926262915,11.170418695280308,0.6560813628181779,4.510645210308424,9.81239793254836,0.7796711806425632,10.603255350978165,0.5316879878662102,32.13060274673714,4.510645210308424,9.81239793254836,0.7796711806425632,10.603255350978165,0.5296199978023421,32.13060274673714,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0059,3.0640808009073743,3.7179398296309314,4.39797761196115,5.086926592606638,5.7707011834856665,6.438788530199553,7.084016169943436,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_10,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2196738487286275,0.9419482591941504,2.539353550769248,5.399575388733994,8.451885173779013,10.533954884125354,11.63495619875033,12.15010099841356,12.343349986557648,4.329032820850155,0.7304445380292911,0.0236268219398062,23.528853935368684,10.081399329632047,13.211267380229192,2.261549110937393,1.8334756262700893,4.034658456339899,0.3666951252540179,4.7670366283022325,0.1283432938389061,16.501280636430806,-1.8334756262700893,-4.034658456339899,-0.3666951252540179,-4.7670366283022325,-0.1283432938389061,-16.501280636430806,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0059,8.60148624485313,9.452968690573584,10.262370801955978,11.030448481318258,11.757916259157662,12.445498903290469,13.094025725009455,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_11,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172716247749099,0.9383193157340792,2.5625001387736805,5.400809650930428,8.359464252338586,10.36367491915418,11.42203965706323,11.917127968714835,12.102849466840896,4.3499164844665,0.7258631290523705,0.0233183319068774,22.98337094972656,10.06837960447122,12.836113537546096,2.317750564021005,1.8317007680646245,4.030752788566145,0.3663401536129249,4.762421996968024,0.1282190537645236,16.48530691258162,-1.8317007680646245,-4.030752788566145,-0.3663401536129249,-4.762421996968024,-0.1282190537645236,-16.48530691258162,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0059,8.635727882280497,9.504958579324262,10.330508701958,11.112603111901675,11.851764743988644,12.54873488384089,13.204484650330226,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_12,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2231476199956622,0.9411597742456924,2.568049410501367,5.525786339002322,8.63969957451604,10.7428065211474,11.849873697931724,12.366849875265576,12.560633499554068,4.422500292579848,0.7314220885402107,0.0249195933472201,24.556623904186363,10.465469244595509,13.910245201632906,2.344391874977043,1.806639161170705,3.975603419392517,0.3613278322341409,4.697261819043834,0.1264647412819492,16.259752450536347,-1.806639161170705,-3.975603419392517,-0.3613278322341409,-4.697261819043834,-0.1264647412819492,-16.259752450536347,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0059,8.78701580810078,9.646921054902975,10.46091723485561,11.230374364073349,11.956659679630365,12.641101494855764,13.285045514489251,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_13,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2225849300454588,0.9443605408385004,2.4790709836801854,5.1571296806512965,8.009443540296607,9.962782989492728,10.9985955267068,11.483912685750658,11.6660809569703,4.157788007605922,0.735165626357486,0.0239423682434585,21.10663883280779,9.211367575617414,11.82471493433739,2.162447224515808,1.950813808003336,4.28622912596223,0.3836723817782975,5.020192862229716,0.1501867641872097,17.427516675582627,-1.8859100097796384,-4.15668114470773,-0.3836723817782975,-4.955289064006019,-0.1183839030575982,-17.427516675582627,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0059,8.669133608012675,9.492344166081327,10.27591925692077,11.020912868675492,11.728169065153107,12.398404942816038,13.032335755924231,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_14,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2199293554543257,0.9375531087322864,2.508787284497741,5.345671781315162,8.406097268969582,10.506311585643427,11.619899752086384,12.141531102630813,12.337304052579174,4.279571363762257,0.7284774513232688,0.0236813150351338,23.226618882348305,9.855112595419754,13.090093522842617,2.2138052686366123,1.8565678603108444,4.085474118142749,0.3713135720621688,4.827076436808196,0.1299597502217589,16.7091107427976,-1.8565678603108444,-4.085474118142749,-0.3713135720621688,-4.827076436808196,-0.1299597502217589,-16.7091107427976,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0059,8.72235013972271,9.553031085897722,10.344217120671953,11.096534090449236,11.810456445455465,12.486450972143723,13.12510342223906,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_15,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216864071781769,0.934008231047037,2.551037505166792,5.374955674878257,8.315887076972546,10.307653879906873,11.359410759942666,11.851406164224423,12.035967479566793,4.329871791693548,0.7227909420551969,0.0234541508827594,22.67302381545227,9.982078810453542,12.64137420747328,2.297035336464855,1.8537726467943048,4.079323105448503,0.370754529358861,4.819808881665194,0.1297640852756012,16.683953821148748,-1.8537726467943048,-4.079323105448503,-0.370754529358861,-4.819808881665194,-0.1297640852756012,-16.683953821148748,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0059,8.74138660332007,9.613964515840223,10.44117838633728,11.223587535025446,11.961986540255262,12.657345532598416,13.31083007493923,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_16,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2231708256174369,0.942261062232882,2.558208133176913,5.488961610135628,8.57626781376307,10.661673005924415,11.759349347097023,12.271909297768405,12.464031646390152,4.395524062072662,0.732587088717014,0.0247027213027341,24.207036962130573,10.318377977104264,13.728846589031132,2.327927839893169,1.8001735007947457,3.961375397520878,0.360034700158949,4.680451102066338,0.126012145055632,16.201561507152707,-1.8001735007947457,-3.961375397520878,-0.360034700158949,-4.680451102066338,-0.126012145055632,-16.201561507152707,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0059,8.727239363042328,9.581908522729169,10.392275585805898,11.15949147908171,11.884699429715807,12.56901440032182,13.213588956350478,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_17,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2222381332808478,0.9456560870766392,2.5045747776314906,5.221367063074545,8.082102195957688,10.026119870390088,11.05314480602405,11.533549985888731,11.713751982000808,4.2111936107165056,0.7352675689634878,0.0239344716821741,21.561234957646445,9.463110920379917,12.030995771148406,2.200299128903168,1.910722481099745,4.192565550447975,0.3703346612821033,4.873399771356571,0.1585512270464578,16.96030563114079,-1.7926241317212883,-3.956841245088577,-0.3703346612821033,-4.755301421978115,-0.1006830358510142,-16.96030563114079,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0059,8.545492412273115,9.398440521790706,10.207439224901549,10.973775535639476,11.698740820710642,12.383545213460216,13.029372533845647,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_18,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1088222643890693,0.7517489608919486,2.408884389810196,5.304669800033135,8.312219057144429,10.340766283772352,11.409004553708977,11.90802089924624,12.095104362121798,4.233412818216946,0.5435814466112971,0.0041418528191961,23.03115479468709,9.287298377000948,13.515402851618807,2.087647456432548,0.8675103965675302,1.9087201109064624,0.1732267192280422,2.253324150391868,0.061303983939201,7.802086367398495,-0.864756795712892,-1.9032239236006048,-0.1732267192280422,-2.2505705495372297,-0.0599547195204283,-7.802086367398495,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0059,7.380356874440961,8.139604567436152,8.887897413360063,9.62286053860356,10.341340435096049,11.03996138453301,11.715569501775228,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_19,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1049180418524423,0.7489849219798678,2.38150120379997,5.041216236529728,7.73193121822082,9.540858351846996,10.494005536494983,10.939534509398966,11.106617687733689,4.072178479533231,0.5380821228214496,0.0039107229961813,20.05957865593557,8.454447839604814,11.540000107573094,2.0420147201821286,1.0072641828576203,2.1977987704866617,0.1831608899402049,2.47255130237926,0.1080987545696237,8.6995387130922,-0.8243447165444288,-1.832751856310317,-0.1831608899402049,-2.289631836066068,-0.0201138683885196,-8.6995387130922,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0059,7.876677506410931,8.583818694139245,9.286768390848811,9.98375163932507,10.67103976927064,11.344213310621743,11.998990317653492,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_20,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.155166401061591,0.7796554462773172,1.9542531859966603,3.9350273433546055,6.104405182858627,7.616237487563503,8.42425797570668,8.804126867257393,8.946910078858934,3.1895057177663646,0.6015718302196572,0.0094578079430363,12.103641580966752,5.328605056992586,7.002798956761485,1.3701437303245398,2.31847272953311,4.87610681735236,0.1257976576871956,2.102280505798962,0.6030103968246046,10.746239717022252,1.73970364445655,3.602495349648965,0.0100438406718836,0.3937186370612869,0.5183480739025447,-6.942677762968035,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0059,6.295914669689396,7.113345605774188,7.929559387656545,8.736039819534136,9.525862922471031,10.293388246759571,11.034153916539893,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_21,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1272573603749286,0.7836242033908057,2.250092837717548,4.639122494093397,7.148271914057388,8.876294589879954,9.797414614994652,10.230189694294936,10.392833737975112,3.757767186613686,0.580063505759498,0.0058068083740802,16.4820130295856,7.1463930630041945,9.312539692666098,1.8089066649824588,1.4338188231992297,3.04039156744845,0.1746062628650062,2.830668926119279,0.3334133877594781,10.661219373296271,-0.3122438054508321,-0.8019100421527006,-0.1746062628650062,-1.7090939083708812,0.2111890037539739,-10.661219373296271,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0059,6.786482095070897,7.513986802247697,8.246200106688606,8.9778808410407,9.703116629010802,10.41603751171966,11.11134269271217,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_22,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1087655468092881,0.751689368638885,2.411653953908169,5.3362517480715805,8.388556738943878,10.44924355873727,11.53432818172093,12.04114097181439,12.231132173657391,4.251660626474893,0.543557811976082,0.0041335956679954,23.442513101458104,9.407305955633737,13.721083688632142,2.087493682374695,0.8464709016657461,1.862409482595372,0.1690069643616705,2.19852661655911,0.0598561166567075,7.612493795562141,-0.8435987419509587,-1.856676651804656,-0.1690069643616705,-2.195654456844323,-0.0584487583964617,-7.612493795562141,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0059,7.361792321700374,8.121493055217762,8.868997580003434,9.602267524494936,10.318506556961747,11.01464764326897,11.687773113562285,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_23,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1037199264705956,0.7450460419580015,2.371496340156604,5.018993294220358,7.696196254745997,9.495412586743996,10.44325901261907,10.886269988779109,11.052402513295515,4.054542755714708,0.5347758826065427,0.0038409356607744,19.77365965019312,8.36966992859645,11.363689586045064,2.0235398845366523,0.9822988479842452,2.141144719940426,0.1764895990659317,2.394215640511699,0.1098723781065465,8.441286221239858,-0.7825971426750717,-1.742600682096916,-0.1764895990659317,-2.1945139352025254,-0.0136703412396055,-8.441286221239858,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0059,7.833024747763267,8.552014512038129,9.264181780089874,9.968165626342154,10.660660353602474,11.337629442483308,11.995116224845052,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_24,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1552045436533397,0.7781297140452514,1.9413453968165475,3.887255259051305,6.02415487383899,7.518948041644231,8.319570358498165,8.69634020366768,8.838018713046816,3.154912988749015,0.6005810375702053,0.0095374378882129,11.707595445182305,5.187575116988004,6.782567289503398,1.359292443196332,2.0045242642712195,4.165673674481412,0.1026133743347993,2.206446240502962,0.604774822099033,10.372680007323794,1.3222710867269218,2.6643400801299526,-0.0338372611740602,0.3294238091466797,0.534664862893692,-8.446948838823097,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0059,6.339386419224256,7.157132468629632,7.972371408570302,8.776834142974696,9.563891465144213,10.32818452762448,11.06548947831139,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_25,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1271344226644166,0.7850127056140703,2.2795787038172803,4.74109735745265,7.313641414894593,9.07616438550927,10.01320348678424,10.452943105959404,10.618125139598176,3.8334663503272495,0.5804588155534905,0.0057823668952846,17.289393525796626,7.520059067923674,9.666370025923433,1.8528455060878872,1.3678601499522078,2.887814743749499,0.1542147928093697,2.601578492427166,0.3420684890636521,9.923596605948434,-0.1742877781414898,-0.5057619637129437,-0.1542147928093697,-1.4080061206164478,0.2341181340970934,-9.923596605948434,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0059,6.742066571858724,7.472846057521514,8.207843698435303,8.941887153947995,9.669136725145734,10.383791997142962,11.080613580703329,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_26,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0998125298004896,0.5905571404179089,1.69202045965704,3.500927384573804,5.436156468854073,6.786452633249807,7.511078750211261,7.852586644660111,7.981096994661466,2.8296915972358603,0.4379824499518003,0.0050960763524837,9.657332995115585,3.662751862072504,5.585914253729148,0.7416319742862244,5.455567418471806,12.248861744518054,0.4928392966698505,1.2748516057255703,0.3308301098179817,15.720445269609078,5.227919661121765,11.763813530622178,0.4628583722836836,-1.1040388846208733,-0.2625050213761027,13.667144688638915,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0059,9.60792116402778,10.463389235662104,11.301740083391442,12.113875640848146,12.892046880575831,13.630624916100446,14.326162729077865,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_27,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1013231255343716,0.5950473995070608,1.8649186844602224,4.189323903912217,6.685988829336964,8.40072795821278,9.311298568698344,9.738219229305578,9.898513354598876,3.3179248668069383,0.4388845023940872,0.0052917942717347,14.828218357253585,5.365740070383587,8.617495682467755,1.0067518827042403,2.1347707145239143,4.553564260517917,0.2863230490034807,4.425355106551761,0.437181594374399,13.53708406265438,-1.966378429301476,-4.218008953755162,-0.2863230490034807,-4.256962821329322,-0.3698246802854232,-10.210721283736277,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0059,10.074503210744773,10.88068148611874,11.666578567305509,12.426556560781474,13.15521236745678,13.84831525168688,14.503096662965108,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_28,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1047376062315621,0.6262908613608015,1.7747472955671006,3.548670966402041,5.379635294212498,6.638399699063347,7.309762799068927,7.625348241130957,7.743979260734289,2.901058440525902,0.4632867761481223,0.0054971789007095,9.558569899288145,3.922384648433207,5.474860881931833,0.8895436387095365,6.699529729204832,15.039127039338243,0.6333310550314518,2.090849455569668,0.4008571633166677,20.19573327698021,5.907363771770243,13.326653530424384,0.5049429113081692,-2.004969584330423,-0.3665052148209702,14.63080817185268,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0059,9.612689286035195,10.392475691043863,11.163128599489982,11.917361658185545,12.647962367172845,13.34894974601466,14.015994252822166,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_29,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1008863672396582,0.5727956593085413,1.7439700659668986,3.885951508503034,6.177013742152499,7.748164263821872,8.582424640135592,8.973618981167,9.12051172435788,3.084094987068138,0.4266769947592107,0.0053106638920944,13.223603549188416,4.554311058063566,7.744263890710285,0.7186923212461288,2.5573476532629886,5.554202834603228,0.2988437371583672,3.57854254906353,0.4013191307387693,12.995784605510927,-0.672080777405423,-1.338235851501956,-0.1377196193387911,-3.4656409692213006,-0.3561584988018778,-5.031257553586553,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0059,9.890484863420316,10.728310269028444,11.54081729113316,12.323107764346345,13.07043793221549,13.779147962444828,14.446957586904883,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_30,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0996437458407303,0.5881190851581791,1.7034476881247314,3.571529292506163,5.564627326915089,6.946731030439577,7.685760437530628,8.033467399463957,8.164217322878484,2.87746411394628,0.4361713563212218,0.0050858705925103,10.226069207801215,3.8472238751898287,5.875461581503706,0.7475228465674955,5.185687694974488,11.639918083331697,0.4694641839238019,1.2576864525522249,0.3171004475144202,15.029659277255318,4.949440501648622,11.132611020976872,0.4345022529953367,-1.0661890620396397,-0.2405014913093862,12.673695087553783,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0059,9.60129766076976,10.462095390576994,11.304730786163269,12.12025152186946,12.901048367770178,13.641619182674583,14.338628581098682,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_31,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1007121202716013,0.5988214363790715,1.91871573266068,4.340992803440403,6.909241051704887,8.658175939397895,9.583224977708545,10.016187182639271,10.17863554172904,3.436558902239554,0.4399718884319099,0.0052199809764083,15.843207049861276,5.87829776621154,9.07551835162453,1.0759334794320077,2.269053087721817,4.843354201205547,0.3076365579833541,4.730145551588649,0.4572321158480545,14.421631018442625,-2.0786725239308788,-4.4639828517393445,-0.3076365579833541,-4.539764987797711,-0.3810798903316792,-11.141196439180394,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0059,10.064992936506789,10.876386820425358,11.66667633446358,12.43022754816104,13.161700481097256,13.85695747616507,14.513332491108288,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_32,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1035324599217114,0.6206784559058441,1.7563949679316644,3.4947302048671003,5.286733882237492,6.521549480621695,7.181229671208516,7.491578048042165,7.608281451571608,2.8612050489902936,0.4589724514329504,0.0053912889090949,9.141073949117786,3.7660327924494217,5.254257117968778,0.8540973180771635,6.765022194848881,15.1960930381196,0.6286973497638239,1.8249536727292053,0.3949549850369782,19.87956491023887,6.236827330504941,14.055397967557692,0.5442023349691486,-1.725000679438082,-0.3549737877205288,15.999999351996236,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0059,9.781593197653471,10.562579759355138,11.334355034618769,12.08904428678813,12.819143149113298,13.518594096774097,14.183126458798927,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_33,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1011902781871809,0.5722928803344066,1.723521955087742,3.81415342687804,6.055531770255583,7.596786562210056,8.41633988216126,8.800884408076428,8.945318374932574,3.0314098729527816,0.4269332334063456,0.0053350595749775,12.636817684292913,4.33591622263662,7.430297006416119,0.7008372447050164,2.405853485367653,5.212754917564648,0.2870035690497228,3.58762029521224,0.3911165231092851,12.63800722803636,-0.8135941251551471,-1.6662608371527787,-0.1559139522787586,-3.437346719480341,-0.3310070928165255,-5.830061503762395,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0059,9.860417488524352,10.70006933352528,11.51452061574777,12.298784032911133,13.04804570643341,13.758597394526284,14.42812964151086,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_34,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0666579312018893,0.3959355920783389,1.4167730665850335,3.3471043029645333,5.38548577970424,6.771724018836119,7.504966075037058,7.84821487764833,7.977015649462633,2.627220709604797,0.2850689718200768,0.00435401836622,9.89474043090236,3.3104092891263504,6.036463954093838,0.5960961655560697,7.587979254248524,16.915281753514872,0.717433355433472,4.067869435157769,0.8547562727211566,26.65478721374941,4.565215115359548,10.601054980485468,0.4400137273863445,-4.067869435157769,-0.8547562727211566,16.94510023209995,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0059,14.226044420385966,15.056958377202852,15.795083604980798,16.454174222562287,17.045355373842586,17.57765039121516,18.05845305760036,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_35,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0666330636142759,0.3763912067674287,1.344976776089067,3.320304512087894,5.502160157761272,7.012547999332083,7.81678873587424,8.194253874957349,8.336037275374547,2.56859409185961,0.2740478185226662,0.0044369292370451,10.206120638309716,3.172091147588941,6.341730706913133,0.6216956710818324,6.172477369817166,13.673464520562348,0.5656172825158734,3.76565610292434,0.7997792773906615,22.41430492553044,2.925457009396339,6.925385324900167,0.3008526583616033,-3.76565610292434,-0.7997792773906615,13.14754308013098,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0059,14.651315945445988,15.42536785747383,16.11550361942459,16.73401023331304,17.29076244186337,17.79374812284783,18.249510864040307,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_36,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0676413025799012,0.4041138364176109,1.4369945348024415,3.338570950244563,5.3311383869182,6.687389134451711,7.405805436914375,7.742390743750461,7.8687377923776,2.633088219439583,0.2904174974921144,0.0044605454884621,9.607822161703812,3.28914815615702,5.877883753448687,0.6431411811245321,7.393198163779664,16.468321525908504,0.6959396077346527,4.023698506122089,0.8487707049698023,26.07400193571529,4.336636018109757,10.089475327073568,0.4211874572071969,-4.023698506122089,-0.8487707049698023,16.457676667254344,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0059,14.28972960912829,15.098037636479896,15.818253185787205,16.463151401743406,17.04311816799548,17.5666047330296,18.04055130142586,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0059_37,RSM0059.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.066719627594417,0.3821263456398762,1.370913738264789,3.377856807552404,5.589862153311372,7.120551071890559,7.935636270077408,8.31821504691231,8.461924008159093,2.614969887886053,0.277464015356746,0.0044158132713782,10.55315269927766,3.31666631744998,6.530170740007266,0.6573751107129551,5.977193928181587,13.238366042161054,0.5368131779202748,3.4814262285273925,0.7846477778192683,21.610324272231704,2.9350395457774283,6.940033962264642,0.3119709624567741,-3.4814262285273925,-0.7846477778192683,13.740846731009178,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0059,14.4806136660617,15.270225171111528,15.974670381927366,16.606154510268443,17.17458319117467,17.68802809956481,18.15313809044566,[Cu].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)C1=N[N]N=N1pcu.cat0,"linker [O-]C(=O)c1ccc(cc1)C1=NN=N[N]1, [O-]C(=O)c1ccc(cc1)C1=N[N]N=N1, nodes [Cu], topology pcu"
RSM0056_0,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0108324659713159,0.3154784809897599,1.6347719420545703,3.835645329187495,5.879043997490142,7.175440908470081,7.839846647751635,8.146646765909505,8.26113006006654,3.05551847242865,0.1845594749329145,3.419031496247215e-05,10.836448404004107,4.799981834003457,5.848769650638113,0.8353275412105887,18.081793239424552,40.02075494197993,2.011668747086426,7.988219243094006,1.595480909243124,66.40784609892707,-18.081793239424552,-40.02075494197993,-2.011668747086426,7.824856783884044,1.595480909243124,-66.40784609892707,-18.0,-39.8456,-2.0,8.0,1.61,-56.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM0056,14.62890767638591,15.285546941903531,15.834004866967012,16.29463680465435,16.683805509517693,17.01459767821263,17.297469743376887,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_1,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0083761737449351,0.2776515457307346,1.5427563503127226,3.74975013394733,5.843088190410155,7.182629437531173,7.871379377288474,8.189822561826988,8.308708512387376,2.959673049390892,0.158823687682241,2.268475390366096e-05,10.767993871781364,4.494697769677956,5.964714388814658,0.7305214972049499,18.141069996543145,40.14597026873624,2.018455030630567,7.969660187240256,1.5818270339706135,66.58650216142395,-18.141069996543145,-40.14597026873624,-2.018455030630567,7.711289758412322,1.5818270339706135,-66.58650216142395,-18.0,-39.8456,-2.0,8.0,1.61,-56.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM0056,16.096479233923635,16.68336366861182,17.167780126968427,17.5706683426444,17.908301729073447,18.193350581890467,18.43572066268243,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_2,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1478765302841709,0.4846775094969849,1.2281535361643825,2.6512286069386115,4.288874006344769,5.462079214262739,6.097638528596406,6.398246366325084,6.511521499350925,2.10483920736194,0.3895928683222074,0.0222458846793367,7.651925824987815,1.4073295108101014,5.477086514397942,0.1371526495614598,3.6012720041906787,7.874254378137726,0.6712423318687969,8.97121065914105,0.3439866696108574,28.980603209862387,3.6012720041906787,7.874254378137726,0.6712423318687969,8.97121065914105,0.3439866696108574,28.980603209862387,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0056,4.088466546780624,4.814882842643249,5.541511358674876,6.253386138105192,6.939997402450703,7.594690653079634,8.21390314890081,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_3,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2270035331136785,0.5407349323201586,1.178280476242597,2.484775353810694,3.944231928808524,4.95930029054731,5.500977335452869,5.755460207235976,5.851088261752955,1.9849287815430448,0.4625297052084067,0.0526415616020559,6.318610765899601,1.7645245397134892,3.7040981350012174,0.1254510832728119,5.372916660738514,11.524104172985394,0.7699465495663621,11.202660055703925,0.9070118769719254,27.1573243094063,5.372916660738514,11.524104172985394,0.7699465495663621,11.202660055703925,0.9012006040872004,27.1573243094063,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0056,4.562430615901365,5.062538197035155,5.496454497835213,5.871395570129285,6.195115521882966,6.474958631194466,6.717476575113544,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_4,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1283771150937994,0.4624540987964344,1.258077899695334,2.772698025470449,4.451142959654359,5.625532374100369,6.254827113780847,6.55106880149932,6.662484062246832,2.1982567748479385,0.3651577537336288,0.0167480419858942,7.931474632328423,1.6602948066636725,5.495800874945197,0.1761926985044303,3.546375447902625,7.741886142752757,0.6490453712652214,8.738738418024397,0.361177003194378,27.701298749052373,3.546375447902625,7.741886142752757,0.6490453712652214,8.738738418024397,0.361177003194378,27.701298749052373,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0056,2.4371797651809306,3.000929413417753,3.607638961106021,4.239986947806778,4.882887975987977,5.524341965581889,6.1555021280795374,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_5,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1539025831587669,0.5823178579829311,1.5658125710153836,2.9997893959925515,4.377682271508514,5.2980576925262,5.783997354462515,6.011558492603447,6.096977419603429,2.492192979122169,0.4497781371647345,0.0231700843465752,8.820283369899663,2.369787124165774,5.687439603479925,0.3450567127493193,3.607770969818892,7.829307269002133,0.6150757367472922,8.52837686379723,0.4521910751682338,25.016446723216,3.607770969818892,7.829307269002133,0.6150757367472922,8.52837686379723,0.4521910751682338,25.016446723216,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0056,2.4595320838106307,2.9871669743165725,3.5424904045277663,4.11298459407335,4.687768659042341,5.258036836958014,5.817125915262317,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_6,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1866608646891406,0.5243773775139562,1.3128604411486944,2.8218697286989376,4.445328137557323,5.561059887423993,6.154225917706743,6.432534165244861,6.537065042781006,2.2550031107097106,0.4311828593710412,0.0355930330682526,7.479663995258401,2.3578201833021675,4.425550577921573,0.3710943584838719,4.269238163006343,9.166829039329087,0.6200390269171052,8.93531619805462,0.701299203618719,22.168630280704143,4.269238163006343,9.166829039329087,0.6200390269171052,8.93531619805462,0.6961150775850633,22.168630280704143,25.0,54.83706,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0056,4.283779260182149,5.169020770700416,6.030691855058242,6.851637120282407,7.622190081362469,8.338193102907308,8.999288371595398,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_7,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.148063920980224,0.5006242466128449,1.3105233900392446,2.6885813906382663,4.119458113122914,5.098240166767991,5.618731834073649,5.863066103343651,5.95486152824159,2.1816468746247737,0.3977883098527113,0.0222415521567544,7.727213766386506,1.7413105936200688,5.170676944850901,0.1769214064248186,3.740797701521961,8.112071574125912,0.6320129563201028,8.796901352082783,0.4796306840770795,25.5369184347974,3.740797701521961,8.112071574125912,0.6320129563201028,8.796901352082783,0.4796306840770795,25.5369184347974,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0056,3.2696134400863004,3.954526431820225,4.653236710013548,5.34910359573156,6.0295703214149725,6.685943524347467,7.312820751731873,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_8,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1436165172254169,0.4738756466723202,1.2237946322590725,2.671364905451584,4.3095556185495,5.472285479356628,6.099850177498552,6.396245358540407,6.5078699208094815,2.118548446939966,0.3807167108745171,0.0210278250793152,7.732676006898699,1.5112481487459053,5.462293723097159,0.150460997105783,3.789141754645108,8.27631308328502,0.697799463544047,9.371537462997482,0.3777940866719846,29.900253674857755,3.789141754645108,8.27631308328502,0.697799463544047,9.371537462997482,0.3777940866719846,29.900253674857755,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0056,3.34685443533685,4.035828929802219,4.739827179633132,5.441429669175812,6.127628693797236,6.789524208943327,7.421665559489782,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_9,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1433095428653212,0.4805266245471539,1.2637935502890068,2.770529272846356,4.449394693011084,5.626231700944791,6.257324925933368,6.554516202701987,6.666304869644347,2.197506271241419,0.3842086255915508,0.0208904601339777,7.929052161570864,1.6452011607557364,5.504593266196281,0.1768629579936626,3.4691166431395817,7.578497743067338,0.6400180074120664,8.589260702436112,0.3437231422994892,27.45567730314673,3.4691166431395817,7.578497743067338,0.6400180074120664,8.589260702436112,0.3437231422994892,27.45567730314673,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0056,3.1638190413657243,3.828282188685716,4.513201959163557,5.201277184319167,5.879094371931538,6.537091540426563,7.169074219735799,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_10,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1496652557004334,0.530488595571959,1.4583378449512816,2.912417971690049,4.312415146802278,5.23940336152757,5.726475733080529,5.954082939102577,6.039445487698234,2.394381682587131,0.4145967769841051,0.0225642217113584,8.310615835490823,2.287567660053614,5.439515235072039,0.3854933106591857,3.2274686333055485,7.009705022382694,0.5557685701882364,7.673617194811437,0.3941574727180256,22.766456746648803,3.2274686333055485,7.009705022382694,0.5557685701882364,7.673617194811437,0.3941574727180256,22.766456746648803,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0056,3.52458734700508,4.241380193627478,4.967545827367288,5.686298116062194,6.385404184843807,7.056688691521457,7.695307489664444,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_11,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1557706102799942,0.5078402914690356,1.2952997334584897,2.6061509750041205,3.971215031893384,4.913605816305461,5.417569606327851,5.654778466937191,5.743997538104021,2.125016495433379,0.406195375020948,0.0246418182332654,7.396861991096798,1.6467030061003938,4.939123755084898,0.1428600951536343,4.295040502556389,9.29012987853558,0.7025303850226922,9.915283582737926,0.5940485517200449,27.701924438806508,4.295040502556389,9.29012987853558,0.7025303850226922,9.915283582737926,0.5940485517200449,27.701924438806508,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0056,3.941004915399289,4.682075595164228,5.41691305882874,6.131552577964331,6.8162700332113895,7.46492529522464,8.074194300826942,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_12,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2356866361384477,0.9517274144108212,2.1527181500687,3.7326029723703686,5.220343069963527,6.204423893767444,6.721679740467367,6.9634481542625775,7.05413129255996,3.178672459345032,0.7523596388546411,0.0268542327602096,9.720665770654696,4.937034858167448,5.966232809315009,1.646695417876788,2.4750363043800063,5.445488258626129,0.4940782388006542,6.42766221478524,0.1749944576978757,22.256746297913114,-2.465746083626537,-5.426960306866447,-0.4940782388006542,-6.41837199403177,-0.1708603094625818,-22.256746297913114,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0056,9.42048556980101,10.16002295327126,10.857863942754298,11.514160174245784,12.130342040894082,12.708432829248329,13.250657900905203,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_13,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169321266659173,0.9262588610598516,2.159128971220765,3.7932531596939096,5.314076347161296,6.3123926486898725,6.835175164105846,7.079110528173539,7.170541047986631,3.2225130356695875,0.726935030755084,0.0209227216047094,9.856159464138113,5.085594635958249,5.931705367862086,1.69714099726149,2.22206586347502,4.889715839093773,0.4443592053155327,5.776939505999282,0.15564579927976,19.99751342368576,-2.221526189680307,-4.888639540661287,-0.4443592053155327,-5.776399832204568,-0.1554056444411125,-19.99751342368576,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0056,7.952681108308913,8.65065268348376,9.321244430462052,9.96488886991669,10.581812205098156,11.17208097865208,11.735712320669734,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_14,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2580393466621079,1.0300311839661715,2.387549796899499,4.109260449029422,5.627900206703353,6.597230667703742,7.098731919819204,7.33155070296294,7.418636298295837,3.5206556701661147,0.8127375305642976,0.0292718088541406,11.038439702072768,6.058968344734642,6.331638453431728,2.0704536135938505,2.124856538371921,4.669701890425666,0.4190010311477345,5.476864787553798,0.1599342261735024,19.004303314814297,-2.0651537731054246,-4.550633680516429,-0.4190010311477345,-5.417162022287301,-0.1333664956299115,-19.004303314814297,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0056,6.069369319278071,6.67140387549397,7.254352314165363,7.815733287070846,8.354772833798899,8.871579858431955,9.36664799080872,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_15,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2281050845959981,0.9329825792477112,2.180411719897827,3.807726829156821,5.271744821036753,6.21371288811389,6.702619942871561,6.929895219637167,7.014953127515419,3.246272193739534,0.7342798171698734,0.025674383325411,9.895411009403864,5.196619093711737,5.859087512930704,1.7469091863825192,2.2950907854773885,5.050067803901835,0.4586313380908093,5.964141490203863,0.1613816406171702,20.64808068920313,-2.291222595430705,-5.042353279082231,-0.4586313380908093,-5.96027330015718,-0.159660296046396,-20.64808068920313,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0056,7.253025232398753,7.99220623747922,8.710964322269273,9.405492767643617,10.072896920350605,10.711085489743894,11.318700156839247,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_16,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2224708698549372,0.914955479695876,2.1400227513507906,3.793124009316059,5.330009788570207,6.334145566178253,6.858556693199651,7.1029504840204405,7.19450616396968,3.214817630451732,0.7200470602009648,0.0245563729280111,10.108484757147156,5.098121064553632,6.207374067557185,1.699822742253306,2.2759160079808267,5.0061886143226095,0.4531629410054685,5.901219536024575,0.1631021091662143,20.442838860013502,-2.2557134020738583,-4.965897547232048,-0.4531629410054685,-5.881016930117606,-0.1541119495376133,-20.442838860013502,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0056,8.188490178441135,8.954579759859906,9.695887285487036,10.4074079549789,11.086015323330496,11.730010948399793,12.338767005360909,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_17,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2237454923472572,0.921847965160618,2.144494730544051,3.776818934954366,5.296598106901901,6.293674167907552,6.815658517534326,7.059193297027721,7.150469592014089,3.2063338140067823,0.7257410348836131,0.0244355541804297,9.78286717542725,5.061856403230969,5.885137457957231,1.6895585663998365,2.3017728021859343,5.065170743395862,0.4603545604371868,5.98460928568343,0.1611240961530152,20.715955219673408,-2.3017728021859343,-5.065170743395862,-0.4603545604371868,-5.98460928568343,-0.1611240961530152,-20.715955219673408,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0056,8.047831031355758,8.801179058205612,9.528121416392166,10.22596321584214,10.89281957747841,11.52751137535096,12.129482220767192,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_18,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168971795125272,0.905856101021246,2.199262011087884,3.932123635673338,5.504256365361279,6.517536045089592,7.043393245299512,7.287777508433766,7.37922408300284,3.3315990174018806,0.7074129213596229,0.0250863628227547,10.734417190668422,5.401197000324199,6.363732056502797,1.789854069203326,2.290499625226297,5.02934774171473,0.4474154607081053,5.86982331089114,0.1803683443980047,20.4008073402936,-2.183654981854756,-4.816262127206698,-0.4474154607081053,-5.762978667519597,-0.1328224780976687,-20.4008073402936,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0056,8.126946535046944,8.967635890520718,9.7832030887531,10.56665399262887,11.31322821560643,12.020043728206009,12.685739745820673,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_19,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2278917186700603,0.922025839448247,2.1655414905089168,3.793658952022796,5.251354565996331,6.183337859237764,6.665169705181846,6.88872631157508,6.972323651271664,3.232280848830716,0.7253729548904,0.0274395104833132,9.784287169588744,5.170032553270375,5.754399609650566,1.729104188053633,2.372212186811264,5.219741011200725,0.4740202679253157,6.16437433021379,0.1668464207710453,21.341466292562632,-2.3679904924418933,-5.21132147503517,-0.4740202679253157,-6.160152635844419,-0.1649677667766753,-21.341466292562632,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0056,7.363061268162242,8.153629146916893,8.923853249857794,9.667262389318616,10.379192731303768,11.056530681322606,11.697470574801097,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_20,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0858431642055843,0.6816396434138985,2.146739855907777,4.089233485470683,5.755044129709229,6.797652919884408,7.332411085589626,7.579775211289311,7.672168384712748,3.430454825610985,0.4820514672025959,0.0027487704443656,11.91513395726282,5.387133841148927,7.314285509974611,1.6578933829875644,1.0372879813975289,2.2624022272690927,0.1878613607714092,2.540178867568802,0.109353100275508,8.94366712241583,-0.8413256263165633,-1.8715847044133689,-0.1878613607714092,-2.344216512487837,-0.0221498522644782,-8.94366712241583,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0056,6.963993546886778,7.762995550395739,8.565764509185543,9.361017869302025,10.139030068917911,10.892066157970644,11.614442013066778,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_21,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1599212364857557,0.7833725810898611,1.9148601237080949,3.621605664607272,5.351604612283135,6.515601770310858,7.128557533443407,7.414930503342099,7.522300661797894,3.000202898632115,0.605544930696355,0.0106792720795767,9.77566632582348,4.359407030017648,5.906247158931055,1.2938787327584336,1.865957489564792,3.844444843367569,0.1184410284513512,2.7982311240584288,0.6060215595930797,11.655895156122902,0.6917169337960619,1.260467439889578,-0.1164070827023948,-0.2608961581871387,0.5230925002196445,-11.59894467515212,20.0,43.8343,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.7199999999999998,-45.0,RSM0056,6.334900717982925,7.141725451115012,7.936900067434743,8.71456928784779,9.470525615754363,10.201562088417749,10.905201291759338,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_22,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1033830328997443,0.7283961084002814,2.181886329881887,4.058014941268411,5.610125254136607,6.5531439863145415,7.0290749957324055,7.247582482174215,7.328941115029624,3.4287454191978184,0.5245749077623479,0.004196184663808,11.118217725961618,5.449558113773474,6.696210104777074,1.7341921193829717,1.2066256310702217,2.6507207036146023,0.2369393859319555,3.1021407185258667,0.0926870572038319,10.77191587399022,-1.1627682282493337,-2.563253692298764,-0.2369393859319555,-3.058283315704979,-0.0731705129485367,-10.77191587399022,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0056,7.833197608190517,8.585697187086229,9.322682489894625,10.04163499911158,10.739754365307848,11.414363574575788,12.063173013030983,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_23,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1459161357777343,0.7394885130637292,1.811167260689444,3.355463339656076,4.871910019876922,5.883353072232883,6.415201724968516,6.663661586358358,6.756823239343497,2.8017031724226795,0.5693521810592135,0.0090901800855924,8.056740410699268,3.866581013489205,4.732408622627475,1.1570908450718784,1.8629168985354152,3.836762379671111,0.1177280440455707,2.803543459819903,0.6080810634466567,11.665791558564273,0.6864349854664268,1.2478527529033223,-0.1175683385682269,-0.2557886305914983,0.5256698355599837,-11.661319805198648,20.0,43.8343,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.7199999999999998,-45.0,RSM0056,6.258375322614412,7.085393850436677,7.91086715448017,8.724885080046771,9.519507827709804,10.288542311936098,11.02737930791975,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_24,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1235263558900823,0.8057933948414452,2.3118223432541964,4.227039190817707,5.833109078813122,6.823938923141979,7.328306589742046,7.560797075749934,7.647507298113073,3.5832532440451352,0.5881295127571592,0.0055442670430509,11.936098089301687,5.992637999486166,7.153744446659244,1.94817257447616,1.1514544447259805,2.521091487865958,0.2179302975011874,2.89489682473548,0.1037779200883347,10.11587817365365,-1.027848530285894,-2.274578032402372,-0.2179302975011874,-2.771290910295393,-0.0487732881624962,-10.11587817365365,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0056,7.523988460845096,8.185521524578457,8.831470049834238,9.464014271089685,10.083500407708073,10.689037231942104,11.279060638840347,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_25,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1492041292440783,0.7757629655493804,1.920561538004788,3.5653308215044213,5.191809232671032,6.28217913474403,6.856709454898222,7.125318300444824,7.226064651246793,2.9745746488608007,0.594715687667363,0.0086704209512854,9.230659246250088,4.303916495660896,5.507058390253855,1.2989191975144152,1.967457562132056,4.073937256100978,0.1379796186563149,2.9459035811430505,0.5982907694694709,12.245785579115903,0.6712553290619221,1.2215768397140296,-0.1212608279577116,-0.4743785969351056,0.5015378485030645,-11.777659439555013,20.0,43.8343,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.7199999999999998,-45.0,RSM0056,5.538936440977087,6.336010265389781,7.141593816357156,7.94485037288773,8.736520133475157,9.508949918854098,10.256111238168636,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_26,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1056573464081654,0.7354983912848387,2.187664019423197,4.058432178240349,5.612575576008285,6.562932391500563,7.04466507292387,7.266328838592728,7.34894279204136,3.4306722509578043,0.5310242331867755,0.0042918671879699,11.188336629523183,5.463364990601355,6.778826231957117,1.7392031745824443,1.1467435641861508,2.516650958331942,0.2227358911138517,2.9286306930969648,0.0926710902243648,10.18843564320779,-1.0806153469523672,-2.384768148291746,-0.2227358911138517,-2.8625024758631814,-0.0632440335553312,-10.18843564320779,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0056,7.872962576681724,8.617318424526584,9.347905181648514,10.062324339129276,10.757714355042737,11.43122316474238,12.080329892251244,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_27,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1465093570146307,0.7477006834756385,1.8538785363919057,3.509684012077828,5.166169298837749,6.27507688695101,6.858170897046265,7.130472587717793,7.232552272268855,2.910115992596042,0.5750664879537116,0.0089553736461413,9.120660242121016,4.133299773725674,5.480228041510749,1.2109386927478616,1.9226098659999475,3.982937242560957,0.144111362939216,3.075500769513676,0.5853525848589464,12.495276588784057,0.4814962366077864,0.8116917631747771,-0.144111362939216,-0.6713946669059422,0.4844746308014951,-12.495276588784057,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0056,6.446623143457486,7.2727994212215235,8.100746246957625,8.920065509455517,9.722210569962412,10.500394071701871,11.249484839205548,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_28,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0734619074555223,0.4169418606729896,1.4477828537395114,3.3121366709487474,5.2159611982430185,6.488150558157381,7.1556495428825615,7.467014844224093,7.583681186741506,2.626181918101834,0.3021924150817197,0.0052709202955612,9.65564313905544,3.101110222241036,6.059433545831703,0.6983710988151328,5.375040305665279,11.55204755622064,0.6112542848686676,7.477534960929621,0.961676536401326,24.302088029540243,-1.5153700574860496,-3.0081099539511817,-0.1824020350709756,-7.477534960929621,-0.961676536401326,-3.475883168347273,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0056,13.2972903477197,14.115390259041227,14.852422946925008,15.517794708879034,16.119971900372864,16.666351234070397,17.16330463486588,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_29,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0674641043555599,0.3632106244922259,1.2365497729205788,2.9478700496646004,4.782144175523882,6.030429996027017,6.689678013285312,6.997957890377799,7.113577925451016,2.3040774134126325,0.2675779467716561,0.0046177128737621,8.407272847353834,2.320684021060189,5.368664799532689,0.3832800590046729,4.634810102121047,9.966819266106729,0.5090555408436008,5.969117902630826,0.8289320565723675,20.646539870999977,-0.8435441427131628,-1.57430443765213,-0.087803767576058,-5.969117902630826,-0.8289320565723675,-0.2435359236880805,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0056,14.567091389395683,15.33883649470336,16.02592000268305,16.641337959386522,17.19525425268632,17.695744722452677,18.14935123716712,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_30,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0636679285051716,0.3712477612869713,1.334621235338888,3.0785214645531043,4.783937935158326,5.886615137503212,6.455686762036544,6.719182636311928,6.817611663986536,2.4447829206428087,0.2679795952853587,0.004088888365238,8.907578306241799,2.6774079565231346,5.54340588578448,0.4032233433334954,5.04250194554101,10.836831829504996,0.6098317769355381,7.830771302542021,0.8874203272815866,23.282923704489697,-2.1481229107179862,-4.429705758952539,-0.2882341063996468,-7.830771302542021,-0.8874203272815866,-8.149382212241784,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0056,12.12163094422258,12.83648545687184,13.482199209184175,14.066215974004251,14.595103978545891,15.074634684720396,15.50989484319805,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_31,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0608899350284919,0.3687167742262584,1.4090065211252685,3.3016764877327147,5.117963275726186,6.276820277541512,6.870953510455323,7.14524133765736,7.247576458114366,2.617957513436356,0.2627550341666175,0.0037681875043297,9.59290736543699,3.168449393963376,5.808148134337213,0.5947754551109011,4.572461178263658,9.82874038421852,0.544968693553381,6.894109873869917,0.8051994139156964,20.980982027176022,-1.7504753820502588,-3.581867204129596,-0.2314147161963366,-6.894109873869917,-0.8051994139156964,-6.192437314064095,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0056,14.565466240453302,15.34906132150672,16.05086338103628,16.68156927186524,17.24981540517798,17.762774981703018,18.226552450473832,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_32,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0624136251220301,0.3642554839652442,1.2917436608398978,3.082183990047904,4.967423891882849,6.239006520091973,6.908029133919485,7.220389287750419,7.337466076650823,2.4133384955420807,0.2642515684186317,0.0038944052796178,9.03593121563982,2.528525895888124,5.818259461621041,0.4610234175077976,5.155925987337712,11.095443670556932,0.582779409789629,6.896232831156011,0.903863734416587,23.0824652279205,-1.1101789241856173,-2.1395981605828704,-0.1332519583282852,-6.896232831156011,-0.903863734416587,-1.978632656206504,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0056,13.59691712596944,14.457452499593094,15.22985920974637,15.923940740189863,16.548463259116577,17.11119243479952,17.61898164686859,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_33,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.069309082714584,0.3756255818826503,1.2985054183222124,3.075131755816151,4.928678052152467,6.172404705998081,6.825381639800569,7.12999174987545,7.244125902405399,2.413533068749949,0.2758988679132521,0.0048251808268039,8.940578568210878,2.5943793714044903,5.633992837690178,0.4717142033483174,5.448249566649924,11.720159407985944,0.6257495275929025,7.56793156794198,0.9570086667092323,24.57695778452547,-1.4518144935636983,-2.873473110865696,-0.1817011861388774,-7.56793156794198,-0.9570086667092323,-3.683817196086825,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0056,14.098154791558452,14.905950627632013,15.625989328682223,16.27100379278657,16.851340594430365,17.375428175484423,17.85019297081665,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_34,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.070715860906903,0.4101289847240473,1.513326808334022,3.419563564170634,5.209734233217253,6.347453315975094,6.9309381708630005,7.200473348443806,7.301068809707292,2.7388882788475906,0.2935376451388842,0.0050109966808517,9.859420719839548,3.482072664778286,5.8577176198734096,0.6509566379114566,4.910606865456813,10.567917631133144,0.5752804363545588,7.0121329008439925,0.8516884193888445,22.24467975302318,-1.4480750040654866,-2.9031032124523586,-0.1905546739777448,-7.0121329008439925,-0.8516884193888445,-4.559549108607446,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0056,14.664403463782552,15.366595426386732,15.999102870042162,16.571149425283107,17.090309700382296,17.562798631341277,17.9937712339053,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_35,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0638226783913829,0.3454229964676907,1.2173976768268282,2.868747092311164,4.510358645487943,5.574361116154631,6.123321307542026,6.37740596835097,6.472299860424852,2.2630276744227404,0.2536054087138616,0.0041998012666127,8.096609054412058,2.325311623163928,5.062824739947081,0.306824879061274,4.975602539145712,10.69184084059163,0.597636442787295,7.652471917110601,0.8791060021750593,22.93565377480535,-2.0620641577609065,-4.242302788963501,-0.2739099559667612,-7.652471917110601,-0.8791060021750593,-7.568470181586618,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0056,11.593821013737916,12.285649687273414,12.908811502518892,13.472173495571726,13.982860177909938,14.44672583261364,14.868702132289387,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_36,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2335529355120908,0.6692938922034434,1.6497931035042055,3.4039404010167225,5.201893854342007,6.399078040715291,7.025482569154967,7.317272334483807,7.42653858503244,2.756191112640435,0.5452015517000933,0.0526660830216374,8.42491848769877,4.156399050204904,4.351036167623275,1.0029397988162678,7.957321584416213,17.458531421667313,0.9426271019842772,6.989407135109284,0.9063258329704628,31.932209831144625,3.824275551988454,8.621735626017454,0.3664392465051302,-6.989407135109284,-0.9063258329704628,11.765634889374477,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0056,13.241963754797224,14.393038853949912,15.388827956970989,16.24840946486931,16.990574595206002,17.632491512083472,18.189223877575,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0056_37,RSM0056.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.192861244949309,0.6249885568113929,1.6190026615434088,3.395358055191416,5.218053564358165,6.43164663179807,7.0664047606868206,7.362012576172104,7.4726954389871185,2.7390929258244068,0.4993817996052066,0.0356174940750082,8.83866282146845,3.994710070476722,4.681166032108329,0.8292880390329749,8.00240575593321,17.53831493798747,0.9613291427033104,7.589731410177503,0.9326643864537714,32.5320526374671,3.217558457365206,7.298696509646047,0.2853335476631802,-7.589731410177503,-0.9326643864537714,8.872206811062552,18.0,39.8456,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.61,-35.0,RSM0056,13.355681895785498,14.48446400970858,15.463257315377618,16.311281016461255,17.046754038727503,17.686017652921876,18.243297080954232,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH]rna.cat0,"linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Fe], [OH], topology rna"
RSM0224_0,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0058484600620626,0.2141737228533995,1.2410326235808051,3.166037455349432,5.077482837327665,6.327207757813444,6.975837679553996,7.276941193702207,7.389537963979864,2.463046646589933,0.1216612272541778,9.743977779393423e-06,8.924368206695805,3.057764692649509,5.269444392672396,0.455791345676411,21.194637776452097,47.90782776737471,1.9904865338361,4.681687163417196,1.4016091498817886,64.21340976072602,-21.194637776452097,-47.90782776737471,-1.9904865338361,4.681687163417196,1.4016091498817886,-64.21340976072602,0.0,0.0,0.0,5.0,1.54,0.0,-23.0,-51.5353,-2.0,0.0,0.0,-66.0,RSM0224,20.45032929311784,20.873146855755937,21.2112934812765,21.48531710226625,21.71005779751951,21.896399263540456,22.052441123715745,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_1,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0058352690756157,0.2139435594030726,1.239937097717203,3.16355044343511,5.073963649619239,6.323151349473207,6.971534506175038,7.272529771985488,7.385087012228441,2.461022740290321,0.1215151537123492,9.691183635482962e-06,8.91443919999637,3.053680468100494,5.263938583601301,0.454821714386306,21.193123613836853,47.90468159171635,1.990441908992831,4.682621203069949,1.4020400815360825,64.21716514970278,-21.193123613836853,-47.90468159171635,-1.990441908992831,4.682621203069949,1.4020400815360825,-64.21716514970278,0.0,0.0,0.0,5.0,1.54,0.0,-23.0,-51.5353,-2.0,0.0,0.0,-66.0,RSM0224,20.461244819747925,20.883312281724656,21.22062136403129,21.49381676512516,21.71778143284776,21.903415212827795,22.05882079993687,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_2,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0058250935633398,0.213676097770739,1.2388413990543194,3.161310592100123,5.070645654566771,6.319125068484925,6.96713830411711,7.2679612689041155,7.380453982148869,2.459184515043493,0.1213526411867955,9.665101534727864e-06,8.905818293134864,3.048981500164196,5.259722226994869,0.4541135679302685,21.19546441773344,47.90965391948962,1.990549210708424,4.6816753214760745,1.4015824133892183,64.21463542690306,-21.19546441773344,-47.90965391948962,-1.990549210708424,4.6816753214760745,1.4015824133892183,-64.21463542690306,0.0,0.0,0.0,5.0,1.54,0.0,-23.0,-51.5353,-2.0,0.0,0.0,-66.0,RSM0224,20.45452867643145,20.87773631015909,21.21591312077561,21.48978543806601,21.714289174715468,21.9003597539648,22.056124521997017,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_3,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0058490701374977,0.2141760555487228,1.240999984908819,3.1659334022469583,5.077323678190099,6.327019525507171,6.975636061692256,7.276733707143165,7.389328335561755,2.4629668511089573,0.1216643019210803,9.746907524682754e-06,8.923897994079914,3.057580970140368,5.269188581717439,0.4557680713221254,21.194894686453345,47.908358908301416,1.990493161069036,4.681516407444124,1.4015308936464907,64.21269183913587,-21.194894686453345,-47.908358908301416,-1.990493161069036,4.681516407444124,1.4015308936464907,-64.21269183913587,0.0,0.0,0.0,5.0,1.54,0.0,-23.0,-51.5353,-2.0,0.0,0.0,-66.0,RSM0224,20.45025815132343,20.873087521167868,21.211243070775907,21.48527364992321,21.710019904806245,21.896365900412498,22.05241150973388,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_4,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0058344403228363,0.2139366954140257,1.239935918605828,3.163564150488567,5.073986355212899,6.323177280002359,6.971561427025915,7.272557010502699,7.385114347579377,2.4610316748148287,0.1215094689348374,9.687300241405596e-06,8.914388826226912,3.053685591586305,5.2638948697842745,0.4548181564653216,21.192898710804947,47.90422172155634,1.9904379074753984,4.682794086375228,1.402118385126653,64.21794753512181,-21.192898710804947,-47.90422172155634,-1.9904379074753984,4.682794086375228,1.402118385126653,-64.21794753512181,0.0,0.0,0.0,5.0,1.54,0.0,-23.0,-51.5353,-2.0,0.0,0.0,-66.0,RSM0224,20.461536896857613,20.883554241506666,21.220825083141094,21.49399064765483,21.717931589310307,21.903546191418915,22.058936055550525,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_5,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0058240428879492,0.213660635016365,1.238815319364118,3.1612854819767526,5.070614896454315,6.319088219871251,6.967097935285488,7.267919221008221,7.380411301541512,2.459159700070641,0.1213416568319245,9.661701523600611e-06,8.905657252033201,3.048904967125385,5.2596291035570575,0.454086112340015,21.195428055511407,47.90957255590487,1.9905460883087924,4.6816710925028895,1.4015816009180244,64.21455027284469,-21.195428055511407,-47.90957255590487,-1.9905460883087924,4.6816710925028895,1.4015816009180244,-64.21455027284469,0.0,0.0,0.0,5.0,1.54,0.0,-23.0,-51.5353,-2.0,0.0,0.0,-66.0,RSM0224,20.45364512818824,20.876989701045265,21.21527476227923,21.48923392823856,21.713808282556684,21.899936979706684,22.05575010247257,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_6,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417610162705403,0.4963778071347249,1.4251064475437567,3.063420815783624,4.6558395628369285,5.682378521016643,6.211116478172162,6.455678680155136,6.546991778985018,2.4699503923759205,0.3899904166508712,0.0204194648959484,9.391443460206968,2.6135308736006944,6.001577636364817,0.3456549846616834,6.389051805122852,13.752023240255475,0.9796391622862204,14.22616510341262,1.0063046239930058,36.62948233442117,6.389051805122852,13.752023240255475,0.9796391622862204,14.22616510341262,1.0063046239930058,36.62948233442117,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0224,3.298907675961852,4.000519066982332,4.7181197089545535,5.434256376312696,6.135845385774147,6.8138604065020045,7.462693527275407,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_7,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417843107167234,0.4964787974718125,1.4261062778080582,3.066164191585857,4.659772796224513,5.686817615976453,6.2157460755762655,6.46038157831911,6.551719738926796,2.472114273501463,0.3900478861771727,0.02042618168019,9.40454420320688,2.619481228975733,6.008500161458766,0.3470409932186883,6.39152922761037,13.757155846875774,0.9798251537725398,14.23013045779069,1.0070583429631037,36.63011462602593,6.39152922761037,13.757155846875774,0.9798251537725398,14.23013045779069,1.0070583429631037,36.63011462602593,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0224,3.2975585957370006,3.999198915654477,4.71682397436623,5.432983766572203,6.134597093657884,6.812639078236452,7.461502370162669,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_8,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417703152893079,0.4965435691349815,1.4261903133222458,3.0658115182496144,4.659031440785515,5.685882168645238,6.214725490134821,6.459324546393225,6.550649537120424,2.4719293395014668,0.3900787096663144,0.0204216235248547,9.401530075952849,2.618530241360851,6.006706443572365,0.3468053696545616,6.390782922290235,13.755587423981783,0.9797475319465888,14.228763177862945,1.0068717780193004,36.62841262481004,6.390782922290235,13.755587423981783,0.9797475319465888,14.228763177862945,1.0068717780193004,36.62841262481004,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0224,3.30177251424669,4.003088892799645,4.720397265563234,5.436261089907464,6.137603887116559,6.815401141539213,7.4640439112733,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_9,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417919594993051,0.4964147073625831,1.425127331406524,3.0634482684008164,4.655888349677261,5.682443422387144,6.211189884379298,6.455756026312072,6.547070594731722,2.469972551300529,0.3900292684621195,0.0204283957623125,9.391507451439084,2.61357768978836,6.001658873370019,0.3456981766115242,6.389004264256457,13.751927632063504,0.979638391134557,14.226111393332909,1.0062849142168282,36.62966605813671,6.389004264256457,13.751927632063504,0.979638391134557,14.226111393332909,1.0062849142168282,36.62966605813671,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0224,3.298883244633819,4.000488463294592,4.718083725918606,5.434215941596601,6.135801447696829,6.8138138618723785,7.462645181221863,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_10,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418143937939017,0.4965311130204407,1.426168874259152,3.0662061540186465,4.659787881272197,5.68681565334814,6.215735628672298,6.460367285865826,6.551704023885439,2.4721654970609825,0.3900955622249802,0.0204347113266695,9.40462945513334,2.6195513945846423,6.008524438398105,0.3470504360014501,6.391540537843111,13.75717882768275,0.9798255652567234,14.230145059896897,1.007062604483829,36.630086878755066,6.391540537843111,13.75717882768275,0.9798255652567234,14.230145059896897,1.007062604483829,36.630086878755066,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0224,3.297651842774309,3.999299996467651,4.716930687899413,5.433094163756817,6.134709503087421,6.812752106979364,7.46161488804947,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_11,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418175302051003,0.496612794412871,1.4262697972943197,3.06590813360371,4.659143547342373,5.686003115727325,6.214850623693173,6.459451533248473,6.550777202640566,2.472019757382127,0.3901453677731541,0.0204351539894744,9.401803099897087,2.6186775357936973,6.006878295444119,0.3468714249266915,6.390664158678723,13.755346135310525,0.9797432328004706,14.228610021082488,1.0068269891111488,36.628705502639335,6.390664158678723,13.755346135310525,0.9797432328004706,14.228610021082488,1.0068269891111488,36.628705502639335,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0224,3.3018384107162424,4.003163719431339,4.720479616009363,5.436349423907081,6.137696671926043,6.815496949263533,7.46414147474631,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_12,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1556610128327057,0.779558761898252,1.910219937287172,3.594070266843816,5.253853558983907,6.351350349361537,6.924650341501113,7.191562717298291,7.291494225349887,2.986808176025024,0.6020598419889818,0.009537750588145,9.174450587949591,4.4337188312962335,5.270195624448148,1.2758522014718383,1.703768529732908,3.4832781521677285,0.0827997642068489,2.3661666433877,0.6029274378433024,10.17483793280152,0.8757708876644191,1.6612262849186306,-0.0827997642068489,0.2133727740096279,0.5449676028985083,-10.17483793280152,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0224,6.666966453272808,7.466795425777954,8.260001519886133,9.041360918326395,9.806184851103025,10.550246158885948,11.269887891856545,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_13,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0986717312703784,0.7033064888644245,2.1071314734486872,4.003577781451957,5.626815452391333,6.624456597022967,7.129313032016007,7.361227739299943,7.447587457477873,3.357299512103235,0.5079497789085031,0.0034693142841605,11.466427541829797,5.225929391408669,6.968540865918454,1.576801209722875,1.5626642069123289,3.4112300288290847,0.149793268508812,1.3593448603306244,0.1873365780304197,6.954606294444335,0.8434345744087642,1.8285278225641013,0.0059473420080991,-0.7442630999540095,0.0863748053371741,-2.5938691999708223,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,7.678996236736587,8.483519684185689,9.277978374994962,10.05762110310302,10.817490727255272,11.55303197074488,12.260468692275335,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_14,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1192509952766431,0.7372077155317417,2.027847973429907,3.8536172799117376,5.513618327102066,6.564611635358399,7.103117273572758,7.351765689256087,7.444547285792676,3.215647967966629,0.5482310323377152,0.0050287533205942,10.96398554851533,4.875534985974599,6.738228620681463,1.4531009673130506,2.693735490105817,5.876377091191912,0.2241199003023198,1.758583833325117,0.3363061782683593,10.44877059377752,1.9681536310822083,4.279696480153791,0.0790035284975979,-0.5826141433361447,0.1870003337767334,-1.9613145873798248,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,7.348852957149647,8.208454276402476,9.04965050104261,9.868568719527028,10.661364330984837,11.424525878812675,12.15516611915,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_15,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217096801796084,0.8995896547686918,2.1356094540755324,3.8418791900054448,5.396542666633752,6.385939827708417,6.894426966486826,7.12954975866546,7.217336916470864,3.2462917495274604,0.707475808444233,0.0234739339068045,10.352776335471514,5.152339719089984,6.074492453513046,1.6497102073793568,3.543753876537879,7.845743618345392,0.475032609794989,4.46165383669266,0.2191016662013368,19.292929053525068,0.3947393998130616,0.916173513559642,-0.1547702855499744,-4.206177289159387,-0.1054146025490299,-10.32558397466466,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,9.204762495905468,10.045426271396378,10.848533003608951,11.612543235625049,12.336717531944656,13.020931564357038,13.665570045774112,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_16,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1556181635064975,0.7794816317582148,1.910515250624037,3.595356467634378,5.256167818776462,6.354351937677047,6.928014693316221,7.195097024798689,7.295092350854966,2.987722938684328,0.6019774194364733,0.0095325204917265,9.181812015031127,4.4369563259539255,5.273350531548487,1.2762672284704464,1.7043347215510287,3.4846078970352248,0.082994292111551,2.368289058443437,0.6028146533810496,10.181559449986166,0.8743918004355181,1.6582753420886445,-0.082994292111551,0.2104374635431092,0.544718648902964,-10.181559449986166,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0224,6.671739003147492,7.468563000503588,8.259430567515322,9.039012065867109,9.802518889428052,10.545633934026046,11.264622447524998,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_17,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0987165234376095,0.703429182806538,2.107346661272096,4.004246495070307,5.62820926278684,6.626419478203264,7.131593245439148,7.363659632919762,7.450076734718829,3.3577625385450096,0.508059221990948,0.0034727976000424,11.47187260202605,5.227552284741394,6.971847182183101,1.577121451829877,1.5505805446883854,3.384122463270429,0.1488334682491862,1.359754199165112,0.1870284220857652,6.930463336754553,0.8297425797058359,1.7978810377521497,0.0046658752526763,-0.7446735250423104,0.0866824778988815,-2.632481718702401,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,7.679742535847172,8.483924536104407,9.278100545502005,10.05752152002257,10.817223891910915,11.552643250470013,12.259994319078102,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_18,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1192816803335519,0.7373219109923651,2.028143772350513,3.854112506692261,5.514170505947127,6.565152408841096,7.103641783763713,7.35228073323624,7.445058510190023,3.2160901326819418,0.5483220706656738,0.0050309913635725,10.967196804710747,4.877326553194647,6.739641653983674,1.4534730316696562,2.686700683334725,5.860224488206071,0.2240027783242823,1.770613926315831,0.336637263631958,10.4662592782231,1.9511778909880968,4.241668336462116,0.0768982198549568,-0.5930968310542591,0.1873578437594415,-2.0410313292044058,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,7.340423960338064,8.20019117247791,9.041588224276392,9.860740506948154,10.65379709738736,11.41723898322434,12.148171651674948,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_19,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170957850993048,0.8995623476045009,2.1358511666038424,3.842990521339277,5.3985240667202525,6.388444774507573,6.897187981870342,7.132426059398836,7.220255752602901,3.2470723715648164,0.7074489587707493,0.0234787153333618,10.361385572709931,5.15487002412941,6.079559955860579,1.6500519355402508,3.538575863133428,7.833931544091834,0.474508492752443,4.461723749479731,0.2193103761598403,19.282519017614582,0.3895576332052425,0.904353180186906,-0.155295153233194,-4.204543657612422,-0.1048652352788882,-10.344545511075616,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,9.193152529809865,10.034612199520945,10.838484005445943,11.603218262907664,12.328070608692752,13.012914879151582,13.658135901923496,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_20,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1556508764162127,0.7795688200691354,1.910572367591855,3.59564464812539,5.256820079889992,6.355196639803314,6.928932099550292,7.196040915306623,7.296044908662166,2.987891296205901,0.6020573698384605,0.0095359336245162,9.18377015768158,4.437788367064812,5.274427612797581,1.276248807743084,1.704421657063481,3.484740421904992,0.0829546659493496,2.368058984658279,0.6029276387382185,10.181201604304402,0.8748749975699841,1.6592798612632589,-0.0829546659493496,0.2112376699751868,0.5448593725736738,-10.181201604304402,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0224,6.673573497310121,7.473318420259472,8.266321350049978,9.047404778463507,9.811916156069325,10.55565305405872,11.27497396001938,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_21,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0986979858741791,0.7033788805702621,2.1072997841570777,4.004337488199126,5.628429176701586,6.626697054642187,7.131892465804773,7.363967116159333,7.450387030159069,3.357798172247405,0.5080155912061173,0.0034712425068376,11.47206525906274,5.227632353368752,6.971448228027067,1.5769313543259211,1.5543806594467735,3.392709728664112,0.1491373605289814,1.359039778515604,0.1870238971918009,6.936441153615188,0.8343624792475263,1.8082722821902977,0.0051337244891319,-0.7444141175296092,0.0864845219469668,-2.616850773108012,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,7.690501082828869,8.49466872330372,9.288638103992987,10.067739196646595,10.827058229067209,11.562062076429449,12.268985190593051,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_22,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1191909669022034,0.7370827434887854,2.027858945874311,3.853867857464088,5.514018611082718,6.565092958283511,7.103640687276933,7.352309140602638,7.445098342557795,3.2158246589983035,0.548108494240091,0.0050229782824509,10.965813626681324,4.876664609635464,6.738365343056677,1.4529846468137326,2.7015424462893893,5.893840416645259,0.2252934861883942,1.7689501679623754,0.3364728831257509,10.492496493670869,1.9680187887577625,4.279683465016722,0.0785887546820688,-0.5940347029255494,0.1863644988156366,-1.983793749297902,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,7.343627894632777,8.203751153481745,9.045395296018322,9.864703950480637,10.65784343517476,11.421309983824994,12.152222070229492,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_23,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171216991766354,0.899687375715779,2.1360681311379937,3.8430308923779135,5.398294576542554,6.388044675348078,6.896705870378831,7.1319077155610975,7.219724176751894,3.247199917203843,0.7075463829995448,0.023477455586668,10.359481464512818,5.155071139611476,6.077810348092099,1.6503668873750763,3.53580775075555,7.827772629096875,0.4742824902844988,4.4611971767003,0.2191586868557624,19.275294694556813,0.3867997903168072,0.8982168637374783,-0.1555191018032498,-4.2043686031623055,-0.1048699716313552,-10.34991981708184,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,9.21014093261214,10.050352283276798,10.85300708194422,11.61658757536781,12.340365185416756,13.024219800010831,13.668536461121883,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_24,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1556290126858754,0.7794873672471131,1.9101493983470248,3.594003306113203,5.253781193889734,6.351271809634094,6.9245680497298,7.191478581999683,7.291409385750631,2.9867413096785285,0.6019934303643985,0.0095339948835457,9.174256777927557,4.433488422522694,5.270122579348181,1.2757778806405768,1.703940246240656,3.483672091357945,0.0828496923093792,2.3667377847156903,0.6029102364970058,10.176695077390862,0.8754433231468636,1.6605215302500542,-0.0828496923093792,0.2126457846718297,0.5449154518804405,-10.176695077390862,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0224,6.666856532802827,7.466715745397453,8.259944113596738,9.041319800460451,9.806155550199223,10.55022535883255,11.26987315212045,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_25,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0986812538724073,0.703324035028836,2.1071369793058845,4.003565296146597,5.626789327592057,6.624422369103939,7.12927467945512,7.361187475758067,7.447546478988106,3.3572928515214846,0.5079673185350668,0.0034703201404049,11.466345253490497,5.225903820401692,6.968470049192248,1.57678544435863,1.562588198656517,3.4110540983053728,0.1497644748441877,1.3589851196800034,0.1873480899705581,6.953503576408797,0.8436761600646487,1.82905077395796,0.005982067125814,-0.7438059936138574,0.0864066211288768,-2.5926004012487485,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,7.679205833428243,8.483723779678481,9.278175362770211,10.057810148834108,10.81767146051895,11.55320430372863,12.260632712988691,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_26,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1192460753450151,0.737184296211832,2.0277971265888546,3.8535477394656095,5.513539841121465,6.564529663030567,7.103034038618746,7.3516819811724305,7.44446341833066,3.215583456394436,0.5482129323436964,0.0050285400279923,10.963650906272818,4.875349330858546,6.738062768976428,1.4530302635429553,2.6942604193230992,5.877561223281139,0.2241555042989308,1.7583891814150965,0.3363102156530813,10.449345183770626,1.9688805276112624,4.281325051814873,0.0790795259565635,-0.5824510824189203,0.1869822384002171,-1.9587643366167835,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,7.348841770529076,8.208454871783438,9.049660993416865,9.868587427023208,10.661389740460384,11.424556639698237,12.155201043947402,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_27,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217101951066982,0.8995571998081945,2.1355436210104903,3.841806714654085,5.396481150542815,6.385888834988108,6.894381924614828,7.129507549220945,7.217295774978984,3.246218401345704,0.7074524508346556,0.0234808021588684,10.352628307643736,5.152131059969796,6.074485458941688,1.649639697089175,3.544126078139976,7.846563922394886,0.4750555644699946,4.461666789935207,0.2191362631651,19.293756219196776,0.3951836578648756,0.9171523815736742,-0.1547329195850252,-4.206067470107505,-0.1053945658417718,-10.324722162417633,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,9.204689881861016,10.045361834766677,10.848475835676172,11.612492446565955,12.336672297478394,13.020891148864566,13.665533808194253,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_28,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1556340639381028,0.779531452964378,1.910559030304272,3.5953679440296065,5.256155749510071,6.354328071820605,6.927985537015852,7.195065576761986,7.295060070641353,2.9877452678741747,0.602021692446837,0.0095334972055499,9.181689132271202,4.437025985995795,5.273266301544234,1.2763142087494634,1.7043276095787632,3.484598288873397,0.0829987300899021,2.36831745029798,0.6028031673439831,10.18161264969186,0.8743403086797417,1.658168073905452,-0.0829987300899021,0.210350467960524,0.5447040562810516,-10.18161264969186,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0224,6.671640026372971,7.468476198237363,8.259354252126075,9.038944626785888,9.802458893147913,10.545580159052182,11.264573881168014,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_29,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0987092761449249,0.703411585132509,2.107314623140888,4.004203280923203,5.62816281111422,6.626373741950966,7.13154863373923,7.363615706589181,7.450033090509938,3.3577221883493364,0.5080441702339422,0.003471901629531,11.47167981099074,5.227429793999322,6.971743196615484,1.5770718112383029,1.5512680383795434,3.385653722570859,0.1488732650852539,1.3595698821904207,0.1870668285011794,6.931423732207123,0.8306933191220898,1.7999915829594304,0.0047583212337632,-0.7443717673574846,0.0866963325994771,-2.6297393152746418,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,7.6796482309478975,8.483838016536998,9.278021246501185,10.057448776044506,10.817157043971632,11.552581689828282,12.259937500440838,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_30,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1192772032507799,0.7373171493443123,2.02815174146562,3.854115668801098,5.514164050826262,6.5651401755835055,7.103626801385953,7.352264531393667,7.445041861258049,3.216096449784738,0.5483153097009291,0.0050306541542903,10.967171440854928,4.877348032254156,6.739614089269731,1.453486559335239,2.686039089718794,5.858725136415629,0.2239557084805515,1.7708883271274498,0.3366438534240339,10.46561943450667,1.950257799599811,4.23960014688172,0.0767994504567547,-0.5932757655878671,0.1873937364610805,-2.0444749842620955,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,7.340485962227691,8.200251692928093,9.041647686170222,9.86079924876326,10.653855317399373,11.417296746262569,12.14822892097538,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_31,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171419848727235,0.8996429010509475,2.1359142125478403,3.843022847168708,5.398533333894256,6.388441236465666,6.8971783772940976,7.132413764301868,7.22024247132177,3.247114673562382,0.7075268125251026,0.0234885692187904,10.361304111805335,5.155059113313897,6.0794458026898255,1.6501414478527023,3.5385153842681625,7.833787369041813,0.4745016377913727,4.461773198009876,0.2193230221149978,19.28253263354778,0.389474166681807,0.904158419599723,-0.1553066057258983,-4.20452651581286,-0.1048482485373259,-10.345071735714498,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,9.193124193448234,10.034588767830568,10.83846538834076,11.603204301670427,12.328061045473625,13.012909368765888,13.65813404034618,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_32,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1556601174791699,0.7795791491909049,1.910574462551522,3.595637287466963,5.256803459096459,6.355173472924303,6.928905401862033,7.196012553366073,7.296015920756652,2.9878871999088075,0.6020687213286767,0.0095376037840958,9.183652200054004,4.437804906537911,5.274336903105868,1.2762820705275644,1.7045843336310331,3.485114249374332,0.0830025737842328,2.368604923904896,0.6029102026203734,10.18297314383982,0.874558595788705,1.6585994519139218,-0.0830025737842328,0.2105380055148424,0.5448084009714103,-10.18297314383982,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0224,6.673604373450772,7.473333067998395,8.26632392315007,9.047398368734632,9.811903101825784,10.555635144858911,11.27495257479572,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_33,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0987016066720424,0.7033815379215953,2.1072940574659067,4.0043300633859085,5.6284225031332245,6.626689878601233,7.131884547449018,7.363958731372817,7.450378450637965,3.357790593746397,0.5080195890761378,0.0034716736552888,11.472093510142948,5.227608713616197,6.97147325065435,1.5769070673872432,1.5545286708633497,3.393017208717284,0.1491164611292698,1.3586824883448625,0.1870741472359848,6.935833430132369,0.8349073215443434,1.809453009230645,0.0051921912654686,-0.7437959984766613,0.0865503407553644,-2.615191163079692,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,7.690543765518177,8.49471444114516,9.2886859592701,10.067788526172802,10.827108490879004,11.56211280448152,12.269035979709686,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_34,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.119188672294533,0.7370801134941584,2.0278628326057446,3.853863534639223,5.513994466320056,6.565052696249004,7.103591368616096,7.352255480124247,7.44504303745748,3.2158253156829963,0.5481050529372765,0.0050227532549885,10.965816040562029,4.876661382256655,6.738391799081979,1.4529877695655022,2.7014119611403045,5.893538293254745,0.2252939061890723,1.7692458970079032,0.3364825673496345,10.493015316959276,1.967649184607904,4.278855147830817,0.0785413508825921,-0.5942902075838357,0.1863727144440756,-1.985628118952672,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,7.343600366250193,8.203727288345748,9.045374410675125,9.864685694596917,10.657827589295724,11.421296367141718,12.15221050522992,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_35,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171565313041185,0.8997153246889599,2.1360680821231406,3.842997917825362,5.398236214161734,6.387972057233683,6.896626411408622,7.131825194039628,7.219640527303063,3.247177786624799,0.7075786364018406,0.0234900182333579,10.359329102779292,5.155037949033927,6.077739517597659,1.6503814186866508,3.536919142082355,7.830232685618712,0.4743575922486675,4.461249649359574,0.2192434245324731,19.27778942092679,0.3880822366579698,0.9010533357132696,-0.1554097888362095,-4.204148009862515,-0.1048331949562824,-10.347250925377963,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0224,9.210113346334223,10.050328284219006,10.85298679195278,11.61657098890673,12.340352168641347,13.024210118381962,13.668529814312988,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_36,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0655161536560186,0.3863679781650024,1.3783114901417286,3.2629021190990635,5.201349109528251,6.486798118002806,7.157147697978857,7.468853656295844,7.585486044115997,2.564151625066488,0.279317490657991,0.0042085747105848,9.72320902532475,3.1259330074944134,5.863438145051577,0.5725522087785795,8.30867189924873,18.509960985319115,0.7584808160012066,4.096320920492462,0.972513687352928,29.01436878487269,5.184087328381542,12.039316438130667,0.5265438723445336,-4.096320920492462,-0.972513687352928,20.896575756889124,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,14.354661719553311,15.172237781456325,15.906692970872587,16.568769734671637,17.16726470387355,17.709504735961026,18.201696283087188,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_37,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686524432996846,0.3939625108120149,1.337147814287016,2.947471863777739,4.518752193300959,5.546989190102919,6.082096868208369,6.330904501234147,6.424014461680472,2.366108813720865,0.2859968899121182,0.004646826041175,8.020032559892657,2.5817602634429435,4.924443839450979,0.402242740353594,6.965290851217322,15.233953854426252,0.7651270137822866,8.167409702549046,1.0416247659203195,28.831548221769857,-0.5092381988761991,-0.6166513287213783,-0.1502648564164654,-8.167409702549046,-1.0416247659203195,-3.207167235186464,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,14.123042204992624,14.976075135752344,15.737455143819927,16.419650398992843,17.03310847927127,17.586546726998176,18.087260027521204,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_38,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0491346108152612,0.3735288844208119,1.4408330900321271,3.321487556826668,5.147540095691121,6.3273182433032185,6.936121101467703,7.218001191393776,7.323295259723132,2.6411892050265786,0.258667377296869,0.0022711273849524,9.499808965634056,3.241393796622009,5.802756554463135,0.6098171676112122,7.551774750267421,16.819945570158083,0.7184115537262687,4.254967516565166,0.8674610963965358,26.736377286431363,4.318606058092611,10.056066246164349,0.4121009042127819,-4.254967516565166,-0.8674610963965358,16.01550455345932,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,13.759846802481288,14.823090163396074,15.75455281309165,16.572066998222653,17.29140093932023,17.92616238840542,18.487969678374064,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_39,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0654671701417614,0.3859736355974801,1.376815802728681,3.26041665298447,5.1983949578888415,6.48365548569395,7.153929166748322,7.465603820058167,7.582225070866926,2.561935934447183,0.2790605614590257,0.004203542269148,9.719183124902736,3.1211635493511105,5.86209493400822,0.5701534815354478,8.31126566265183,18.51533370621248,0.7591246182169852,4.10818511769276,0.9729828661992166,29.03235887147468,5.176086043885293,12.021700419979814,0.5253850681198838,-4.10818511769276,-0.9729828661992166,20.851474618076136,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,14.272477683288328,15.097188294564834,15.838246915368549,16.5063669746998,17.11034729296652,17.657537833535592,18.154180609852823,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_40,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686634381613437,0.3942307834882616,1.3387054398226503,2.9513952340618195,4.525095253079444,5.555009590793643,6.091022243539363,6.340258188849044,6.433529659332073,2.3691705456080987,0.2861535326138813,0.0046468964592836,8.03756652699835,2.5894675038234576,4.933723895279221,0.4035222524580251,6.961169183312476,15.225338299857196,0.7639396635827694,8.146429936006877,1.0410843444048203,28.80197073897668,-0.4954574536047981,-0.5861664271086711,-0.1481575940868,-8.146429936006877,-1.0410843444048203,-3.121433279458255,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,14.36657917048862,15.18990697086335,15.926851783401911,16.58869591436472,17.18500793105106,17.7238473585871,18.212011632244547,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_41,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0491430910900754,0.3736085685151636,1.4407846582344417,3.3208628713067188,5.146262877160172,6.325578952978654,6.934129987877837,7.21589031301958,7.321139125576066,2.6407885897373253,0.2587283922394552,0.0022714505525381,9.50028227881179,3.241227207332141,5.8025550437834585,0.6093467945537886,7.546902228437161,16.80863076796319,0.7180832406954255,4.258647742568375,0.8673250319644411,26.725639390752825,4.308805811567589,10.034160084174417,0.4110318107335983,-4.258647742568375,-0.8673250319644411,15.978839342088872,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,13.693897098558278,14.763537254619813,15.700977508743104,16.52391762839202,17.248096400668402,17.88714471632349,18.452727929115728,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_42,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0654518354396757,0.3861086349433636,1.3775489744580671,3.2613200151022887,5.199041456995064,6.484036065941579,7.1541517594998085,7.465749204091883,7.5823409981721746,2.562854884730709,0.2791171700394592,0.0042011822654597,9.720329479060808,3.124384468845905,5.861524437249706,0.5712130221854939,8.3166186782613,18.527862569926803,0.7597763902087294,4.108263110668196,0.9728137075298728,29.046340238767293,5.18450010139631,12.040341914305028,0.5260444459491381,-4.108263110668196,-0.9728137075298728,20.8657221896816,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,14.099074716841248,14.939001790622486,15.69435678992413,16.375557486255996,16.99133281944455,17.549076719696362,18.0551269267004,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_43,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686883300054558,0.3941235554934025,1.3381548688993263,2.950340672888491,4.52359244060662,5.553159672339696,6.088968692326938,6.338104304915335,6.431337297020159,2.3682780517278377,0.2861019077994887,0.0046518768147851,8.03395467730254,2.5873812287443534,4.931757970277671,0.4032327380816178,6.963675403061412,15.231304133231696,0.7647134629962625,8.153618934087625,1.0405576949541029,28.8126644295317,-0.4959849260725611,-0.5876521316508364,-0.1487429413782766,-8.153618934087625,-1.0405576949541029,-3.1583097235771707,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,14.32162441873419,15.151743796214603,15.893651899140686,16.55923269963529,17.158448556580638,17.69961681172772,18.189704414729366,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_44,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0490733676431387,0.3732747607721886,1.439742325463222,3.319379863710954,5.144881948544405,6.324403989894544,6.933088920593625,7.214916298880269,7.32019089789808,2.6393759380609807,0.2584847610791104,0.0022653457800952,9.495843358958403,3.2381437716529806,5.799917436838558,0.6075567672672567,7.547546252000679,16.809913473418153,0.7183897353669878,4.264565209873186,0.8673944801668229,26.732298195082382,4.304458587145026,10.02449287348305,0.4103726302659366,-4.264565209873186,-0.8673944801668229,15.951699516545592,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,13.681752062873732,14.75129439859394,15.688941942696204,16.512273027540235,17.2369468078119,17.876542438166425,18.44269195399072,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_45,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0654960273830422,0.3863237424615884,1.378251273518623,3.262835569560856,5.201280590594316,6.486728884725071,7.157078196959449,7.46878405163708,7.58541640392605,2.564086422794745,0.2792777534633016,0.0042058805670854,9.722841677289829,3.1258105518876063,5.863255866090833,0.5725408295896118,8.308998420033454,18.51071759319212,0.7585030500249393,4.096092747229038,0.9725244704296592,29.01510857369373,5.1847223007842045,12.040736769875926,0.526613209100552,-4.096092747229038,-0.9725244704296592,20.89896414134018,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,14.35267204283504,15.170459131715644,15.905096277985429,16.56733012883629,17.165961158228573,17.7083195504219,18.20061455727792,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_46,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686461207146093,0.3939291808912719,1.337068544999135,2.947355631213795,4.518604625667495,5.546819270736744,6.081914564393892,6.330716261432616,6.42382397171974,2.366004243196,0.2859722630467446,0.004646099048079,8.019706682883083,2.5815399219063253,4.924242221058269,0.4021416036159774,6.964672755201993,15.23253140654871,0.7650491809684385,8.167141419762437,1.0416188806295783,28.829642946500726,-0.509896477268972,-0.6181187505310853,-0.1503085830700556,-8.167141419762437,-1.0416188806295783,-3.207878794846569,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,14.121041717020097,14.974274080558892,15.735829607319024,16.418179234133465,17.031773181097304,17.585331198797956,18.086150308027072,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_47,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0491404629636818,0.3735451672408295,1.440827934053932,3.321443641013203,5.1474721132496,6.327239392580384,6.936037659971907,7.217915818098909,7.323209193578024,2.641157405149961,0.2586827298014861,0.0022716381279757,9.499462517124158,3.24132926114135,5.802555572729161,0.6098339486470311,7.552003477191405,16.820468929483503,0.7184294979088287,4.2549073213949,0.8674744317737088,26.73699384146896,4.318944955334209,10.05682805822709,0.4121370194745633,-4.2549073213949,-0.8674744317737088,16.016757096269675,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,13.759005718665552,14.822315220616384,15.753843123847622,16.571419057495365,17.290810029267018,17.925623391757142,18.487477529325595,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_48,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0654681931920334,0.3859719441558219,1.376803305016543,3.260372347157344,5.198319876140403,6.483563066319819,7.153828700850903,7.465499837245403,7.582119807996192,2.561903714194336,0.2790597350479895,0.0042037500377925,9.718994976579078,3.121048121698132,5.862018589117313,0.5701256178669032,8.310778039667472,18.51422975288465,0.7590833114395666,4.108156329906692,0.9729433419472282,29.030882703030635,5.175537724509001,12.020458871543598,0.5253277137200976,-4.108156329906692,-0.9729433419472282,20.849436782849217,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,14.273375443582244,15.097999951165145,15.838982864857226,16.507036136443904,17.110957366537747,17.65809549605632,18.15469167057221,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_49,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686633311614756,0.3942345389796787,1.3387255980521624,2.951425104616708,4.525124182328273,5.555034370255704,6.091043923498988,6.340278222269784,6.433549043958765,2.369198603449155,0.286155221279404,0.0046468956797217,8.037605759467152,2.589502373893686,4.93375551681871,0.4035501698439293,6.961672181707891,15.22649877811891,0.7639908529885325,8.146413979380727,1.0410945439632426,28.803354157815026,-0.4947418347738959,-0.5845678050935823,-0.1480927247091044,-8.146413979380727,-1.0410945439632426,-3.1195710616022674,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,14.36588119400002,15.189293412682918,15.926307116599432,16.588208399153054,17.184568504595983,17.723448895674554,18.21164843868662,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_50,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.04914156895885,0.3735841778406917,1.4407300872105555,3.32080464677648,5.146210996296637,6.325531004560219,6.934083632363804,7.215844569369144,7.3210935887390525,2.6407292600644183,0.2587115534940241,0.0022714461179135,9.500223571684712,3.241052234342423,5.802567675511114,0.6092735697961837,7.546262712142104,16.807191160778032,0.7180221688080062,4.258418596935073,0.8672688702852176,26.723537399423897,4.30826546155119,10.032928327951751,0.4109805144008789,-4.258418596935073,-0.8672688702852176,15.977079495174438,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,13.694244861079994,14.76386537765625,15.701284597014526,16.524203649688488,17.248362090803614,17.887391212892698,18.452956550635225,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_51,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0654726687997361,0.3861487671557437,1.3775782567981003,3.261323369414068,5.199019077662563,6.483997466092242,7.154105002437631,7.465698726044851,7.582289139625006,2.562867791239634,0.2791558405023487,0.0042039217720156,9.72018503482777,3.1243804219042848,5.861457756443444,0.5712628624013453,8.316159805479034,18.52683940137012,0.7597228738189942,4.1078453718697405,0.9727693170596232,29.04461779169865,5.1843430637326025,12.039970585356446,0.5260393042011616,-4.1078453718697405,-0.9727693170596232,20.86569285507451,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,14.100946270525146,14.940692641505027,15.695891257806116,16.376955367000427,16.992610513784584,17.550248028511703,18.05620361212296,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_52,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686828409009253,0.3941097787872597,1.3381261616080802,2.95027934990087,4.523500880915771,5.553050113735469,6.088850264954978,6.3379818574660645,6.431213361085104,2.368228636369366,0.2860898821133379,0.0046511458982396,8.033765424886898,2.58728878586377,4.931619353791723,0.403172818590751,6.963146424814748,15.23009763440889,0.7646646855662519,8.153598850037964,1.0405276918718065,28.811115333043578,-0.4966360344745733,-0.5891174951066005,-0.148806553152902,-8.153598850037964,-1.0405276918718065,-3.160378022126817,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,14.321457604805705,15.15156678628964,15.893472849757364,16.559056757080725,17.158278806793223,17.69945497058923,18.189551305791657,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0224_53,RSM0224.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0490739887762334,0.3732906034291354,1.4397745176269252,3.319404188054486,5.144893761834271,6.3244075125921,6.933088159489304,7.214913553769072,7.320187411559336,2.6394044045699574,0.258495387129209,0.0022653200699829,9.495805660103157,3.2382144500569487,5.799889337934252,0.6076033773453056,7.547752686002872,16.810392290487304,0.7184036347540825,4.264414059484477,0.8674008787962939,26.73275904009276,4.304867426220388,10.025407110838144,0.4104173283147993,-4.264414059484477,-0.8674008787962939,15.953238314717842,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0224,13.68032868819366,14.75000046609123,15.687770381772252,16.511213656339667,17.235988516001438,17.87567433128517,18.44190390184484,[Cu].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Cu], topology pcu"
RSM0140_0,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0066904607862614,0.2017770291219063,1.1074359166180905,2.763669445401968,4.343814214812068,5.344084874619068,5.854215471984721,6.089091641192925,6.176620046476519,2.165963149204975,0.1175260897374381,1.877066603154109e-05,6.636389618561744,2.2728748923826325,4.271477607676217,0.4206371552908487,23.016324872741016,51.697892742063296,2.127115155141215,4.5090569889535645,0.9089426381534548,64.81643649617997,-23.016324872741016,-51.697892742063296,-2.127115155141215,1.9667538861292675,0.9089426381534548,-64.81643649617997,-22.0,-49.5393,-2.0,4.0,1.14,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0140,19.70082440762084,19.999019927307604,20.237211470493364,20.430120413943484,20.58829317535677,20.7194285459624,20.82924082112796,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_1,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0067218425956734,0.2006338717004144,1.0994035533286122,2.749265723287835,4.330559300419772,5.334069404169311,5.846382257416079,6.082359680175132,6.170312370455989,2.1528288789419188,0.1169922549888263,1.936409999357153e-05,6.575835221485272,2.238982386106396,4.241103293785248,0.4148456085159136,23.02869393038672,51.722377798643095,2.126916103084979,4.494299306633021,0.9024637905889612,64.7406575640149,-23.02869393038672,-51.722377798643095,-2.126916103084979,1.955977244933452,0.9024637905889612,-64.7406575640149,-22.0,-49.5393,-2.0,4.0,1.14,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM0140,19.7197219944412,20.00737999949426,20.237389625476844,20.42382384173456,20.576788079029228,20.703673186864023,20.80997335483253,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_2,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1394752966351867,0.4758191632740572,1.1489693271286945,2.1979944904860087,3.224823568600117,3.9001185079246063,4.251997358522009,4.415646002796026,4.476888826533273,1.8201809580113064,0.3809786088984956,0.0197148360597368,5.851359509544945,1.0514037424379568,4.118233584716067,0.0691993876015451,6.6028767700808535,14.704371572049132,0.7731377248176691,4.177623275891937,0.1521601646453822,27.4605191267049,6.6028767700808535,14.704371572049132,0.7731377248176691,4.177623275891937,0.0291550890349497,27.4605191267049,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0140,3.288908990264589,3.883261252610408,4.50597961158132,5.141753104565039,5.777852693845563,6.404498208066965,7.014727185153819,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_3,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408370278329874,0.4930696662776384,1.3069957027061745,2.5266161457314835,3.6002904958769752,4.262016825051133,4.596520823297691,4.750040159565728,4.807181354645788,2.103725563193493,0.3889169645676421,0.0201379855046696,7.374229460686392,1.662573679074556,5.016204804923175,0.1799774296329496,1.2481691129169898,2.746661037767708,0.2496338225833979,3.245239693584174,0.0873718379041892,11.233522016252907,1.2481691129169898,2.746661037767708,0.2496338225833979,3.245239693584174,0.0873718379041892,11.233522016252907,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0140,3.472907389402378,4.136407288730478,4.821488842738369,5.510245506343372,6.188986735191344,6.848067029288144,7.481307394070057,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_4,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411743187662122,0.4943471594031841,1.3091958060301525,2.5300380222509538,3.605779042794506,4.269214023304978,4.604692196773134,4.758681548057667,4.816001231642609,2.106597670275784,0.3899166968760589,0.0202234770718579,7.387281748262555,1.6700234705946115,5.028137936676272,0.1839899020696561,1.668221301505595,3.670262132959348,0.3329152637512022,4.331543411515211,0.1183063838602169,14.962961955056176,1.668221301505595,3.670262132959348,0.3329152637512022,4.331543411515211,0.1183063838602169,14.962961955056176,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0140,3.5295682460788664,4.191838782302212,4.874923298915195,5.561265660518294,6.237416925569629,6.89388827226002,7.524595687791278,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_5,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1373183400689454,0.482891063231598,1.279231297415724,2.575322844994634,3.808217536311472,4.6001660023493125,5.008029672194763,5.196728188734824,5.267193723580692,2.1116556906382584,0.3819339590110141,0.0191038339016689,6.86610460099651,1.605524617226994,4.684981123053697,0.2663317508687583,5.198252384643276,11.525538352612886,0.7469419210400764,6.648903618404418,0.2114900381466762,29.634467982240025,5.198252384643276,11.525538352612886,0.7469419210400764,6.648903618404418,0.146848836224398,29.634467982240025,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0140,2.9920372325188853,3.567794139464465,4.179506625910943,4.811065862886014,5.448650950538072,6.081358830714549,6.701207354633997,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_6,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411004034004414,0.4987521822112434,1.32778428102574,2.5566100136020884,3.631910156227916,4.293130205923171,4.6270956202809925,4.7803170327200455,4.837339979127883,2.13175264596914,0.3923319615306426,0.0201752780857091,7.421158082551909,1.712962184518211,5.048094818132485,0.2049307630642733,1.3834803712044064,3.0438508881512707,0.2761391403919547,3.5925934943400444,0.0980131870670543,12.412337971414791,1.3834803712044064,3.0438508881512707,0.2761391403919547,3.5925934943400444,0.0980131870670543,12.412337971414791,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0140,3.4535590762662705,4.114535667365457,4.796740558369429,5.482537410991306,6.1584203339656085,6.814854121765513,7.4457143407806194,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_7,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398708100698223,0.4772707755476915,1.1679325489181809,2.276527030006059,3.36859067419561,4.084312344362296,4.456026525859452,4.628589390076215,4.69311653781115,1.8751561853958547,0.3818886900334935,0.0198237204009332,6.089959053893089,1.157789061418612,4.252954712602223,0.0891308634003082,6.562733875349509,14.593814620393292,0.8003828355142839,5.03903199924693,0.1911603188949782,29.06383628465048,6.562733875349509,14.593814620393292,0.8003828355142839,5.03903199924693,0.0779208251775945,29.06383628465048,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0140,3.312900127981187,3.906876771097648,4.528360704639812,5.162298553138288,5.796173580999005,6.420369163465276,7.028043110699597,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_8,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1367829884805551,0.4838598781131101,1.2943450977090574,2.63250918410404,3.919428122491577,4.751439183888454,5.181309600100891,5.380477853572363,5.454897908073563,2.151732900029463,0.3820645917036976,0.01894852957989,6.959059508008305,1.6650439483398434,4.737090014606044,0.3003584607875286,4.354192820137688,9.659859235193757,0.6218203314988673,5.424961557897104,0.1659457697834543,24.63783080283173,4.354192820137688,9.659859235193757,0.6218203314988673,5.424961557897104,0.1101772852944325,24.63783080283173,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0140,2.9147541361327374,3.4856663388668805,4.094859821320653,4.725938954497286,5.364690606099307,5.999817747217153,6.622992643594002,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_9,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140913759769869,0.4969604125875065,1.3193461303244385,2.5433046861504867,3.617779138248389,4.279411142173753,4.61377264630107,4.767211328279068,4.824320423355155,2.119520474084402,0.391297189848082,0.0201267073418674,7.389977513960463,1.6935258957285275,5.031532935121,0.1979594453674485,1.4104482042474116,3.1028786355411064,0.2812233758293951,3.6602352108825738,0.1005505308395017,12.633395286820605,1.4104482042474116,3.1028786355411064,0.2812233758293951,3.6602352108825738,0.1005505308395017,12.633395286820605,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0140,3.52307279334575,4.183310949247416,4.864432914220094,5.549032028375627,6.223737752350588,6.879086987248638,7.508987083404432,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_10,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399201979586578,0.4763293547242635,1.148250063859373,2.220810923102087,3.2936557225039724,4.004291417022346,4.375212163936815,4.547781043544629,4.612367634915459,1.8307282332337047,0.3816224406517592,0.0198373214369432,6.019429048808118,1.0776682948335072,4.227362961024323,0.0666264078118279,7.443976022427386,16.564941644820944,0.895181300437755,5.32768886436869,0.1948701048722186,32.29066483299123,7.443976022427386,16.564941644820944,0.895181300437755,5.32768886436869,0.0623309968499222,32.29066483299123,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0140,3.350476601290013,3.9457501644567015,4.568519082791831,5.203622584589764,5.838487652582735,6.46347693816936,7.071750144751388,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_11,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410452697527226,0.4942830405591705,1.3112081585264308,2.533128094900291,3.6077805530013913,4.269907096813565,4.604583141007814,4.758176872621362,4.8153451589574345,2.1096466993236787,0.3897187602599461,0.0201918998537689,7.393387632610218,1.6740589990806425,5.0283816883956325,0.1840377595197787,1.4203297088420588,3.125476677705169,0.2840339657949265,3.692601435201472,0.0994902291632629,12.780729061434563,1.4203297088420588,3.125476677705169,0.2840339657949265,3.692601435201472,0.0994902291632629,12.780729061434563,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0140,3.481165350503318,4.144628182718167,4.829576289918563,5.518126447201229,6.196608541712132,6.855393443102664,7.48831464031624,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_12,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404977952031579,0.4918808156624041,1.3018000340898488,2.518711255328151,3.592776189242526,4.255602728105192,4.590855626602523,4.74475682221626,4.802045942415311,2.096298841199108,0.3881323963986382,0.0200405060683599,7.354669286694547,1.651496511502559,5.009739298980884,0.1783818041367298,1.510029094364602,3.32204881464731,0.3011759770577308,3.91943691082645,0.1074447044174198,13.532172922218152,1.510029094364602,3.32204881464731,0.3011759770577308,3.91943691082645,0.1074447044174198,13.532172922218152,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0140,3.478767990408196,4.138450380108336,4.819861233657488,5.505364899936787,6.181403549782795,6.838375104664817,7.470090565652041,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_13,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1371374540456046,0.4837691800410776,1.2869436784182335,2.602585316390827,3.863578198243403,4.678555812537557,5.09975789943822,5.294957768263756,5.367903822057004,2.130777065349188,0.3822933471747566,0.0190482394672922,6.847817804321212,1.6158900767945583,4.671882551192042,0.2837800526019065,4.024063903636344,8.91298622386372,0.6020419199330422,5.730540007829843,0.1803080928860306,24.31798718459304,4.024063903636344,8.91298622386372,0.6020419199330422,5.730540007829843,0.1358815320964472,24.31798718459304,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0140,2.951409436483762,3.524402271894496,4.1345888261692485,4.765712274217396,5.403727211143165,6.037497133854082,6.65883252745444,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_14,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411819050115262,0.4982156460108556,1.3257764093011248,2.553869115797891,3.628835354453042,4.289802146838414,4.623610836499185,4.776752966052301,4.833745177242781,2.1291758829666434,0.3920552971108083,0.0202041950463202,7.4149194657122,1.7082027250569445,5.041565738699883,0.2017376266776001,1.409443634531567,3.101297476645081,0.2816379034378281,3.662546862034192,0.0991877837010286,12.667435067990136,1.409443634531567,3.101297476645081,0.2816379034378281,3.662546862034192,0.0991877837010286,12.667435067990136,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0140,3.5021024253517297,4.163664515124167,4.846436323041413,5.53279927633685,6.209243123493862,6.866221446284652,7.497598922366999,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_15,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400988522418709,0.4792562929188707,1.1952574852504054,2.340555597057921,3.4480105425665992,4.168227342584133,4.54145353353231,4.714610278133362,4.779347113282524,1.928931948784087,0.3827390185425958,0.0198907555835961,6.177326169506458,1.2446457243479052,4.300470089449053,0.1296299944433691,6.399508665969316,14.213465476877596,0.7911757517320913,5.331403597075085,0.2202359079450287,28.84482699533505,6.399508665969316,14.213465476877596,0.7911757517320913,5.331403597075085,0.1145571781914434,28.84482699533505,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0140,3.2889783205780065,3.8830597565895673,4.505404209781905,5.140807418851437,5.776604388658712,6.4030468128785865,7.013182175200976,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_16,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1375035706877229,0.4810784259413095,1.2618961615928763,2.539224603838805,3.7677715016630704,4.563045582776227,4.97428230579356,5.16489924029064,5.236137489954533,2.080550933600291,0.3812588936411105,0.0191584892786804,6.826742380924716,1.5477261248555405,4.66818879669928,0.2313408585991113,5.853835876381995,12.99433446031392,0.8250118759657498,6.986220974148523,0.2089476265916872,32.51734258351974,5.853835876381995,12.99433446031392,0.8250118759657498,6.986220974148523,0.1308374850208376,32.51734258351974,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0140,3.020762073759497,3.598131959381733,4.210413274468776,4.841699611459793,5.47836613182602,6.109682904678051,6.727811954721687,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_17,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414930053695853,0.4990501864432812,1.325066405570004,2.5512453487505864,3.626139646718933,4.287675938730228,4.621922137194395,4.775295737256845,4.832378829811423,2.1269828499545183,0.3928287853651973,0.0202825214616399,7.405073910665711,1.7064433330117594,5.040126505585635,0.203635811521895,1.7136754707172366,3.768758241068853,0.3405119495455921,4.437771067081973,0.1246258866057023,15.267459114605265,1.7136754707172366,3.768758241068853,0.3405119495455921,4.437771067081973,0.1246258866057023,15.267459114605265,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0140,3.509714228090035,4.170298839596864,4.851531579595063,5.536045390132625,6.210502580959633,6.865469179097697,7.494879181646976,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_18,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2272063592496742,0.9371843323122364,2.096069176822159,3.484636401513113,4.679805410175082,5.430514878502525,5.815347295172116,5.993203453170457,6.059602238871563,3.014749948263213,0.7399074036073781,0.0238523580663573,8.12569780530165,4.5201357525556025,4.916411413921938,1.62037698424204,2.090048373613996,4.549615423202849,0.3694697382272595,5.045806279432074,0.2482372527936131,17.83963663261517,-1.6046490086585985,-3.580758290751875,-0.3694697382272595,-4.560406914476675,-0.0103915639654682,-17.83963663261517,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,8.982629205540666,9.684401227654291,10.378968768704295,11.05995785146454,11.72190889790313,12.360477289526164,12.97247065903213,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_19,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173092700459013,0.9153011632735766,2.173047764454722,3.756595349172655,5.058233702886046,5.835354245235028,6.222426515628867,6.39890560459694,6.464413613667359,3.224913712591798,0.7168715080883233,0.0232653550810182,9.80369080716552,5.074594797835581,5.8784867746091365,1.726432914646949,2.231526764842468,4.910590685427621,0.4463053529684934,5.801969588590414,0.1562068735389725,20.083740883582205,-2.231526764842468,-4.910590685427621,-0.4463053529684934,-5.801969588590414,-0.1562068735389725,-20.083740883582205,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,9.298473484288689,10.02279339968492,10.730251333939616,11.416274907680608,12.077096236038628,12.709881074831014,13.312723829641069,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_20,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1017792407617934,0.7238299849966748,2.214366582935095,4.229766929115215,5.87784786188923,6.847921277834845,7.326767428803317,7.544123040809063,7.624650481941214,3.55106865655295,0.5216772705946684,0.0036660417514962,13.160001502922617,5.779226411895268,8.179027036121283,1.7482992813509437,1.283732001243696,2.8249190228008176,0.2567464002487392,3.3377032032336094,0.0898612400870586,11.553588011193265,-1.283732001243696,-2.8249190228008176,-0.2567464002487392,-3.3377032032336094,-0.0898612400870586,-11.553588011193265,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,7.196630971162376,7.969055444257593,8.736125049269152,9.492133620609655,10.231736607291095,10.95017786470976,11.643502130503618,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_21,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177162495388794,0.9143482823397666,2.170126265233754,3.758346576960468,5.071591838566707,5.859726296741523,6.253508414287936,6.433322549304733,6.500112741150467,3.2240898793095725,0.7165130522201701,0.0233646555970067,9.875063943857985,5.069784525033564,5.946519686734579,1.7227771640487792,1.93593328840992,4.249005515746628,0.3763176816461611,4.946474741579209,0.1583401798639223,17.206020074972823,-1.8272435280516908,-4.032060754071603,-0.3763176816461611,-4.83778498122098,-0.1050821972883901,-17.206020074972823,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,9.352082970256866,10.079747028417376,10.790302157761213,11.479173248358387,12.142602925643416,12.777771691056971,13.382789377080009,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_22,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2244001460020568,0.933778653343418,2.1158987060285046,3.58373068578833,4.870034711622678,5.681356998726975,6.097498338080593,6.289822202073311,6.361618646443173,3.0822894456844807,0.7360023303477359,0.0231753550234498,8.692251601145582,4.657377617058209,5.269665223314711,1.6388264601550158,1.8899358671572304,4.102760159511826,0.3230945370037885,4.474692163187538,0.2475700471990869,15.911570075861922,-1.341009502880655,-3.0071031364157816,-0.3230945370037885,-3.925765798910963,0.0214038712964351,-15.911570075861922,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,9.0777377654911,9.780473520759754,10.475101566806329,11.155771827979969,11.81730359501939,12.45548393375646,13.067172783952405,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_23,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1013092338276151,0.7220054898073274,2.210418874432828,4.224370822468141,5.872029605754727,6.84205666059899,7.320921207928013,7.538292939625426,7.618827505344597,3.546018434034619,0.52022783358502,0.0036313327644128,13.185020064670663,5.750974550220851,8.20805064084197,1.7392711835328871,1.284425955217372,2.8264461046054987,0.2568851910434744,3.339507483565168,0.0899098168652159,11.55983359695635,-1.284425955217372,-2.8264461046054987,-0.2568851910434744,-3.339507483565168,-0.0899098168652159,-11.55983359695635,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,7.159153945453728,7.930434565259429,8.696359520412837,9.451328974374109,10.190017499315791,10.907650063447663,11.600241315895415,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_24,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173551635489396,0.9156184064059888,2.1764347403794098,3.763541560951419,5.067867761382606,5.847291270488945,6.235850068151849,6.413096554987925,6.478904692694101,3.230818305734224,0.7169746754291894,0.0233164369468315,9.842819359021831,5.081951077896199,5.910326399170236,1.731810107333248,2.2650364033671133,4.984330387502307,0.4530072806734225,5.889094648754495,0.1585525482356977,20.38532763030401,-2.2650364033671133,-4.984330387502307,-0.4530072806734225,-5.889094648754495,-0.1585525482356977,-20.38532763030401,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,9.333154222017416,10.059295337200767,10.7684471549178,11.45608204121389,12.118445476263004,12.752702002443318,13.35693980889834,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_25,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2278706799489023,0.9382341597008854,2.104596225004223,3.534976761011297,4.787158674764194,5.57740149624561,5.982772734545102,6.17011325011765,6.240047265378216,3.0469617696424875,0.7408754599740475,0.024032478939835,8.417630774418377,4.594803689383018,5.0946868573572255,1.6264441914400865,1.8288538323806127,3.966417972438752,0.3089930413851224,4.300798163461593,0.2472529909577434,15.324129989605517,-1.2610765814706109,-2.8331345796223864,-0.3089930413851224,-3.73302091255159,0.0309578619881579,-15.324129989605517,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,9.03276462203576,9.738867163605674,10.436676535985956,11.120105541913691,11.78390363627352,12.423877864451708,13.036946158739354,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_26,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2241703196091563,0.9335644416922372,2.113392239935085,3.5872693928966664,4.894912748700041,5.726228281934854,6.1541484574377225,6.352213017793967,6.426196943552395,3.081627089599214,0.7358755923019862,0.0230552819969152,8.746244638947552,4.64634330959469,5.3301267059901205,1.6347766953953835,2.034336159715798,4.4218633869915625,0.3532875867249685,4.860636853515546,0.2549207861383069,17.237432533078362,-1.498539707533888,-3.3524136684364696,-0.3532875867249685,-4.324840401333637,0.007619475430829,-17.237432533078362,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,9.091344191681682,9.794002022770057,10.487633864258786,11.166867267767447,11.826827820038933,12.463485471957275,13.073799688628462,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_27,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170899649250354,0.9130794408472184,2.1701831274435657,3.758923521342004,5.069611376210535,5.855075249836821,6.247269101084447,6.426309592365209,6.492805260689643,3.224916894259956,0.7152951004979419,0.0232453248742719,9.867945458551652,5.0644296030432265,5.946346161123226,1.723004003832702,2.2236649535348056,4.893290360830923,0.4447329907069611,5.781528879190494,0.1556565467474362,20.01298458181325,-2.2236649535348056,-4.893290360830923,-0.4447329907069611,-5.781528879190494,-0.1556565467474362,-20.01298458181325,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,9.35795078228288,10.086739256653257,10.7985656334982,11.48877346635414,12.15353058139405,12.789960981465896,13.396137792939223,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_28,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0761660841863296,0.3884990510853901,1.175024063643893,2.5561026632078394,3.9312724648354895,4.828326439521983,5.292639348785208,5.507840976927527,5.588257543105264,2.051051427936051,0.2916352718198296,0.0056539158171392,5.012030792131462,2.019658266371417,2.969562906640922,0.5304510650235538,9.14770088810434,20.38293349573817,1.092536853737098,7.769590037044863,0.3835970292193537,39.76362589263394,3.8436688401535024,8.711135164555872,0.0317304441469308,-7.707294234453354,-0.3530720859495136,-8.284141551881136,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0140,15.035648965015389,15.719263714269577,16.29341875626929,16.78256171289394,17.205992516150133,17.57863623313345,17.91183628079869,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_29,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2279066769970186,0.9383466629707244,2.0966474822045686,3.4891421650951417,4.699085516391259,5.46563726018453,5.860550087216186,6.0435031220965785,6.111874661350722,3.0166705696704392,0.7410450030580578,0.0240030822174496,8.170233108714546,4.533149529902762,4.938929719604772,1.6208479926417596,2.058822839805564,4.465142837142809,0.3478161532430902,4.841352065750286,0.2784092696942367,17.250437263889623,-1.4193386926253386,-3.1887324793710787,-0.3478161532430902,-4.20186791857006,0.0349379624240737,-17.250437263889623,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,8.927455122486778,9.624386847344011,10.315529186699647,10.994149135212014,11.654522140370966,12.29210602553875,12.903559724022935,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_30,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174114702715264,0.9154616941474856,2.17419539851942,3.758645152146196,5.059995915382858,5.836505233334418,6.22316211780608,6.399428919393821,6.464854597889711,3.22680146869797,0.7169771700235315,0.0233121694539634,9.809956032382566,5.078704528555993,5.880913076770279,1.728234202174108,1.9496323930626007,4.279502869911374,0.3794014366600391,4.984843886342915,0.1585768556145922,17.33619069851379,-1.8443819735377909,-4.069423032539851,-0.3794014366600391,-4.879593466818104,-0.1070041500474349,-17.33619069851379,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,9.274509702193326,9.997454186379546,10.70395325520655,11.389321106138777,12.04969874633029,12.682183498985887,13.284820572797967,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_31,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1015469014562814,0.7230423568984448,2.213468040126654,4.22921607361909,5.8774544148444345,6.847512127157559,7.326315863430061,7.543644202049825,7.624160236550068,3.55040394887556,0.5210076925413859,0.0036484981929107,13.159781274140837,5.77654194193792,8.178821629000952,1.74674919823116,1.2828365498751475,2.8229485355008554,0.2565673099750294,3.335375029675383,0.0897985584912602,11.545528948876324,-1.2828365498751475,-2.8229485355008554,-0.2565673099750294,-3.335375029675383,-0.0897985584912602,-11.545528948876324,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,7.153726033598411,7.927147150947466,8.695574380601998,9.453111402241424,10.19427773142958,10.9142269097272,11.608948852346971,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_32,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167726229878546,0.9123429531990176,2.1664735683858947,3.752733907232999,5.064846737892967,5.85268731339881,6.246466942934041,6.426315945105131,6.493125117432124,3.219088816665762,0.7147505878766466,0.0231580104274257,9.847222288738832,5.055706292158599,5.930049982620319,1.7170289017767142,2.248547100832784,4.948044819831783,0.4497094201665566,5.846222462165237,0.1573982970582946,20.236923907495047,-2.248547100832784,-4.948044819831783,-0.4497094201665566,-5.846222462165237,-0.1573982970582946,-20.236923907495047,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,9.269039052472714,9.997142648228486,10.708304997231425,11.397896184465512,12.062095276926446,12.698028996702948,13.303768840048,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_33,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2244356813865201,0.933705059034892,2.113396181958091,3.5822235489902634,4.8775643415668135,5.69808617947091,6.119795715189975,6.314862425128803,6.3877084324190445,3.0793827188452667,0.7360737775537658,0.0231454966586888,8.688944628433658,4.64615532608573,5.280420240206046,1.6356461425660789,2.110563587507128,4.587380883941626,0.3663576628704675,5.041424890470867,0.2648250658505107,17.87997119494499,-1.5530130411975476,-3.4745099935077044,-0.3663576628704675,-4.483874344161287,0.0083747018411836,-17.87997119494499,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,8.96273288574282,9.663763335926287,10.356814428158732,11.03615866865078,11.696665439335032,12.334125024459986,12.94537380573342,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_34,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1015341654051413,0.7225489819142081,2.210898365540059,4.224488980935448,5.8716619806867,6.841316690490663,7.319971336947102,7.537241730809725,7.617737762448608,3.5462866153897266,0.5207344605145048,0.0036490475242647,13.18228737301918,5.752288906439545,8.204334206195345,1.740030774285329,1.285225054345515,2.828204563790132,0.2570450108691031,3.3415851412983395,0.0899657538041859,11.567025489109636,-1.285225054345515,-2.828204563790132,-0.2570450108691031,-3.3415851412983395,-0.0899657538041859,-11.567025489109636,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,7.137660408429739,7.908634515989434,8.67423424749576,9.42885076281953,10.16717523016057,10.884455797534754,11.576727768499394,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_35,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173622274916991,0.9157669746392312,2.1769658767815256,3.763717648992359,5.0656838048223,5.842445034688175,6.229284399789989,6.4056564685378685,6.4711253880957,3.2313430100755207,0.7170859766109134,0.0232960242484607,9.836424881455578,5.082260687737096,5.905568733425286,1.7326006569240222,2.1540410521378264,4.740079345363998,0.4308082104275653,5.600506735558348,0.1507828736496476,19.38636946924044,-2.1540410521378264,-4.740079345363998,-0.4308082104275653,-5.600506735558348,-0.1507828736496476,-19.38636946924044,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,9.030002691069177,9.749524723332303,10.453163804110364,11.136153984870548,11.79456119681163,12.425416149395874,13.026706681904573,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_36,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2279051601286673,0.9386553718618054,2.100713956588045,3.509229157800496,4.736279555123591,5.51190934548662,5.910633433302114,6.09513238752434,6.164045013982526,3.030255702508875,0.7412267199737856,0.023992891621124,8.271729487083732,4.560225052544896,4.998015827542284,1.62335012398601,1.601780007280208,3.4568958030000423,0.2539627170291635,3.633481743513517,0.2515504978060585,13.08815437698431,-0.9378471630114272,-2.131685845839556,-0.2539627170291635,-2.969548899244736,0.0737765958856441,-13.08815437698431,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,8.727132183026141,9.42645986434058,10.119260451239988,10.798999643835602,11.46009943825126,12.098124833606269,12.709813082949765,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_37,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2247060028409933,0.93443003825761,2.1157579404370352,3.581386025881413,4.870741923103574,5.687963810326953,6.108405688473142,6.303007496337391,6.375700958689402,3.0803842534767565,0.7365946656002053,0.0232392563509862,8.69231323752589,4.660095473121711,5.263581887723334,1.6384261908345554,1.930169071385775,4.194524348354239,0.3342982536159333,4.604555100313242,0.2437565123855697,16.336810429247542,-1.4128134647735582,-3.161882557556254,-0.3342982536159333,-4.087199493701025,0.0097477348544166,-16.336810429247542,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,8.87585667559319,9.579755354069768,10.275285229756715,10.956670149238713,11.618782434620398,12.257447254850824,12.869551600254754,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_38,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177548822822389,0.9144767425901468,2.172381886946883,3.7622806772199553,5.07463744229516,5.861344928489271,6.254195985954058,6.433540378307186,6.500149229833608,3.227788480480971,0.71651772323889,0.0234106970091976,9.889546935660274,5.0724119970973724,5.961722718780904,1.726662308626027,1.914905774966947,4.201958082890519,0.3713541359228874,4.885738862350046,0.1584601442957404,17.001611593292484,-1.7986355842619268,-3.969882782243298,-0.3713541359228874,-4.769468671645026,-0.1014877508502804,-17.001611593292484,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0140,9.12078088607361,9.848366508902226,10.558888786636794,11.24780897674194,11.911372216192756,12.546745473834138,13.152019577835254,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_39,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0761792969900579,0.3890221834302092,1.173157830056479,2.546150555455855,3.913621527772188,4.805978397151979,5.2679433322499465,5.482073570820514,5.562092347713485,2.0440807166604404,0.2920034697928538,0.0056539333853374,5.0034182872384525,2.0189650826204795,2.955361660556801,0.5236442820399029,9.193251763461824,20.483858267144377,1.0951465885101623,7.762284695577743,0.3872872681777923,39.84080620360757,3.904085753896518,8.844773426463425,0.0373133865971017,-7.688236891952942,-0.3510038444016394,-8.131926900604173,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0140,15.02315328184243,15.711526140979675,16.289775886206343,16.782422427819064,17.20884766971606,17.584054428579122,17.91945468553043,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_40,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0985958580912286,0.6272958658973254,1.8713859805323168,3.6042888216597793,5.131786194778937,6.083046609388986,6.566589867993282,6.789051316472066,6.871935155550623,3.006468144594769,0.4566041527534818,0.0048715275790011,9.84817362508537,4.0256662531722895,6.18902299550946,1.1748370447398948,5.058951004652617,11.131466736303024,0.5009572869173096,4.116833067933023,0.6349114926241408,20.259193774435985,1.346641766246064,3.292559716214294,0.081369328618934,-4.116833067933023,-0.6349114926241408,3.47567544250096,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0140,10.510823087782624,11.258185506110944,11.981414427760942,12.677256437857062,13.342772015551516,13.975719919958228,14.574689398200809,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_41,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0986968719014615,0.6282456598659495,1.8851146810271373,3.660966808086618,5.2341499486928535,6.213036882496015,6.709951729797542,6.9383837594338775,7.023461336158159,3.0462951367213287,0.4571309265006563,0.0048806276382746,10.101509743795043,4.147699597406124,6.307280840001505,1.1975915657526592,5.277093388172775,11.622560793955172,0.5315069126938512,4.347405266451162,0.6405322958239847,21.184645002926,1.4286922184150654,3.4774357924283272,0.0781099606323161,-4.347405266451162,-0.6405322958239847,3.048766920464599,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0140,10.442656213582216,11.192611763129676,11.91776872469333,12.61510130023019,13.281823247492325,13.915792460188856,14.515660316972967,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_42,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1131534572370659,0.43901983447073,1.0510048587531962,2.136459206350096,3.3182934605289005,4.128828954767636,4.557892332009185,4.758684177138878,4.834010784588033,1.726324483253186,0.3487469541650315,0.0125061456867198,3.4504836251096265,1.3379840980887678,2.287068861887387,0.5409117376050936,8.260997908778396,18.391217539721985,0.9346782319824682,6.755548496260588,0.6478046451978221,32.42181911318574,3.3638994973572607,7.785567918086016,0.1221306231207732,-6.755548496260588,-0.6478046451978221,-0.0800852412820501,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0140,15.708898801491957,16.20553020222904,16.614248502770042,16.957349041767827,17.25177048090969,17.510227644705466,17.742135161720704,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_43,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0991416376880834,0.6254540128056388,1.8676756089933848,3.6153682672119234,5.160605254070088,6.122686253604141,6.611517315864593,6.83635870986115,6.920120706692797,3.0111910015920653,0.4558578986336419,0.0049386762089103,9.93040833665617,4.041618581173316,6.239156500465875,1.171929039099597,3.698805853261814,8.107290390691253,0.3500337066632727,3.020331209702416,0.5207449966069237,14.9345617304793,0.8030985309171714,2.0300365119977504,0.0592303282620896,-3.020331209702416,-0.5207449966069237,3.3024265944319766,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0140,10.53809311267622,11.27207802943154,11.98323587800217,12.66824040468306,13.32408577884175,13.948457398622878,14.539861544763829,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_44,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0992403555792976,0.6247821960445914,1.8703000148226687,3.635706393216166,5.204891014381775,6.1844092171992,6.682622726721848,6.911875447347378,6.997294744815777,3.0240442695345826,0.45545210947255,0.0049527242878913,10.04820408028348,4.0711746423859365,6.302411734936887,1.1739115937620035,4.007650134547457,8.80719403223225,0.3723682794113798,2.9325357084798327,0.5331254733469705,15.534575065858505,1.2387813095637537,3.0066487513704097,0.1045800336896393,-2.9325357084798327,-0.5331254733469705,4.823045236988884,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0140,10.552715131754388,11.28939081258762,12.002150041990388,12.688016287565947,13.344237531218168,13.968677435272204,14.559964177529515,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0140_45,RSM0140.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1130633546766082,0.4377071244164986,1.0369391501615175,2.0946784546550625,3.2571379486064216,4.059338835767303,4.485229209125916,4.684790463223934,4.759694525785908,1.6938870388219112,0.3479810894229846,0.0125055034716927,3.439068053280478,1.2851732731589511,2.2819489328625995,0.5107840025104641,8.01300704372415,17.822323965094007,0.9178319580498752,6.91076571785922,0.6477428210778661,32.10518149534858,2.9156831789703506,6.786751650775519,0.075685334922352,-6.91076571785922,-0.6477428210778661,-1.5806834297523475,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0140,15.675013934708373,16.188556542489145,16.610850358194202,16.964940406342848,17.268325616232683,17.534141849406208,17.772123478447146,N#N.[C]#[C].[Cu].n1ccc(cc1)c1ccncc1dia.cat0,"linker N#N, [C]#[C], n1ccc(cc1)c1ccncc1, nodes [Cu], topology dia"
RSM0777_0,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.002882673501666,0.1372911631464718,0.864820914206939,2.23842124932582,3.585924053392159,4.457995000187252,4.908106986012547,5.116512025627493,5.194358901365451,1.7384436310690567,0.0750740800199445,3.0604691001408483e-06,4.514471650797861,1.5214438042893736,2.854283824769879,0.2410345552941131,15.281211450418525,35.21184962911648,1.8265192269170163,9.012444780520685,1.7210590514375823,66.6750673168543,-15.281211450418525,-35.21184962911648,-1.8265192269170163,8.065462070910984,1.7210590514375823,-66.6750673168543,0.0,0.0,0.0,10.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM0777,21.269785625706977,21.645655869148023,21.94387118778662,22.18397766822878,22.37986044728639,22.54156531326488,22.676484193431907,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_1,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0025502761189632,0.14029563665603,0.9124368259432638,2.291101033158089,3.594428284238936,4.428230033269888,4.857236920777466,5.0556821920809725,5.129785504653379,1.7981914897594775,0.0748177660228772,2.4326162159757674e-06,4.650285001796257,1.5980072410539323,2.8642102543534187,0.2490675948968025,14.295608240790626,33.089953474650564,1.7005555138995458,9.27107339517814,1.788919377193236,62.17129958706128,-14.295608240790626,-33.089953474650564,-1.7005555138995458,9.165586895235464,1.788919377193236,-62.17129958706128,0.0,0.0,0.0,10.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM0777,19.61747690017321,19.99441413114553,20.2927257910922,20.532408333484145,20.727609512261687,20.88852611723688,21.022635086157862,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_2,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0028763565058488,0.1371111397115128,0.8652706704061065,2.2407592116373123,3.5900211015437256,4.463320509106613,4.914113592322689,5.122846030267426,5.200817209707221,1.7401188931479867,0.0749445676157938,3.069479129809112e-06,4.531277550403924,1.5263046867399708,2.8600242240351834,0.2412458762594679,15.237331103867474,35.11711716074596,1.820891895638408,9.023017133175154,1.7243811718926385,66.47608588775506,-15.237331103867474,-35.11711716074596,-1.820891895638408,8.116143884751844,1.7243811718926385,-66.47608588775506,0.0,0.0,0.0,10.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM0777,21.421243718939163,21.79678800606364,22.09483368398232,22.33485959404529,22.53071283044677,22.69241729640717,22.827352145241203,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_3,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0024980306817608,0.1401305287037514,0.915585964654936,2.2996246273997363,3.606993251580291,4.443115185277556,4.873274178220812,5.072246382124051,5.146545719010455,1.80496178500368,0.0745391432337728,2.312688851694318e-06,4.693107972191774,1.6128346572388188,2.8818334478996506,0.2493070310190696,14.3161603605078,33.13359544728874,1.7034339170101302,9.26052152512414,1.785080903524241,62.27090309820172,-14.3161603605078,-33.13359544728874,-1.7034339170101302,9.12075185154369,1.785080903524241,-62.27090309820172,0.0,0.0,0.0,10.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM0777,21.39992929225312,21.746170929157376,22.020328429663863,22.240695525454484,22.42022854972948,22.568273334808467,22.691687381817307,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_4,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.002888228139426,0.1375741611465724,0.8691381605335436,2.2534700507998817,3.613517286993716,4.494678931697174,4.949763814764149,5.160533256502212,5.23927314500527,1.749324422677817,0.0751926417410477,3.083852945989881e-06,4.595680666760605,1.5434602924494558,2.899974386389636,0.2421583600341581,15.27578763301354,35.19998479181346,1.825869954606812,9.012363987877473,1.7207128602428363,66.65002480648847,-15.27578763301354,-35.19998479181346,-1.825869954606812,8.06567202789562,1.7207128602428363,-66.65002480648847,0.0,0.0,0.0,10.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM0777,21.43694833409945,21.789995425737768,22.070285550454177,22.29608597568637,22.48038594196564,22.63259169792593,22.75963029846414,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_5,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0025863999510268,0.1404505825399315,0.9114821194362384,2.291116701020984,3.5983698102138346,4.435892013040617,4.867122883777437,5.066661561127519,5.1411831932224645,1.797436794348077,0.0750264064252939,2.505730136951508e-06,4.651832150612639,1.599306664576594,2.870826842272677,0.2511554011780323,14.273529334178397,33.04254426630055,1.6968678929767806,9.28230507935761,1.794402585494415,62.03564697402717,-14.273529334178397,-33.04254426630055,-1.6968678929767806,9.234067766680104,1.794402585494415,-62.03564697402717,0.0,0.0,0.0,10.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM0777,21.3978770106781,21.74390340616475,22.018066294651423,22.238580056328505,22.4183423277006,22.56665902249588,22.69036180590244,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_6,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0027994572632531,0.1355042393179933,0.8599186267529609,2.229244872690577,3.5704137299241,4.437279615680888,4.884410770244706,5.091373512225058,5.1686719586370735,1.731036970486971,0.0738999759122525,2.8952405848070247e-06,4.484811787782312,1.506855588659871,2.832081677484798,0.238675476452776,15.248911786197697,35.14232880511375,1.822314616926397,9.02177610570086,1.724094230600027,66.52686763737626,-15.248911786197697,-35.14232880511375,-1.822314616926397,8.108262753245164,1.724094230600027,-66.52686763737626,0.0,0.0,0.0,10.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM0777,21.008177473967542,21.37847910506268,21.67229953247106,21.90884686268933,22.10179327164922,22.26104136952964,22.39388180670343,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_7,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0025210556611517,0.1405954227996095,0.916355560434604,2.298793820473908,3.602172387638346,4.4344829117492415,4.862328101235003,5.0601537088243225,5.134012886483773,1.8049955952093943,0.0748582170974355,2.350197609582116e-06,4.676834134619506,1.6140920897111362,2.869291013277872,0.2495249482970985,14.333020907735548,33.16997200825576,1.7063340932001634,9.252449991188715,1.7807516572324202,62.37838680760184,-14.333020907735548,-33.16997200825576,-1.7063340932001634,9.066115761089256,1.7807516572324202,-62.37838680760184,0.0,0.0,0.0,10.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM0777,21.189272008131304,21.55643463647924,21.84679961258508,22.079979850313777,22.269817943464663,22.42627361729,22.556640897952512,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_8,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407480599827459,0.4921014380450015,1.372615752714336,2.856979039598513,4.261152925192956,5.154529903976941,5.611982424633792,5.823032109109207,5.901750063895525,2.3255333286398354,0.3875339564019595,0.0201323962418894,8.189751857731835,2.115215387010225,5.3258797454735385,0.2671430884294301,6.716524994877979,14.471931460318231,1.0249908656354365,14.476009910686075,1.0084521720758546,38.42539987843709,6.716524994877979,14.471931460318231,1.0249908656354365,14.476009910686075,1.0031757113917612,38.42539987843709,24.0,53.930105000000005,3.0,16.0,1.2399999999999998,108.0,5.0,11.00276,1.0,6.0,-0.6500000000000001,35.0,RSM0777,3.218958820556255,3.8735899963771554,4.554800031763476,5.244359255539,5.9277896166832695,6.594525238712548,7.237515676513381,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_9,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413899421071781,0.4794413052104147,1.2423974483188174,2.4483233010990086,3.567427159860995,4.2797312527397455,4.645546142101567,4.814633390932222,4.877754805328147,2.0216754390933755,0.3819990903369694,0.0203533025623961,7.11839432704645,1.5054834877090206,4.821453403101705,0.1154345550117012,9.312840249760928,20.30086145341461,1.2929359762967492,13.705251324692425,1.0664434489718655,46.65797238535421,9.312840249760928,20.30086145341461,1.2929359762967492,13.705251324692425,0.9021103040615788,46.65797238535421,24.0,53.930105000000005,3.0,16.0,1.2399999999999998,108.0,5.0,11.00276,1.0,6.0,-0.6500000000000001,35.0,RSM0777,3.421427567291753,4.085348960295526,4.771737936565071,5.462920753107536,6.145034007617951,6.808107572587854,7.445625767160132,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_10,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408266639771651,0.4773001759220674,1.234467091116023,2.427074726348473,3.5267179285162684,4.223916602774085,4.581403255504532,4.7465391770291365,4.808171063907644,2.006064128543867,0.380488567441223,0.0202001194370222,7.010634726290314,1.4791207179654091,4.755212946362391,0.1138882677811059,6.295443921848347,13.59192988812151,0.9981977114949624,14.028930985391874,0.8918800827642736,38.56993525244176,6.295443921848347,13.59192988812151,0.9981977114949624,14.028930985391874,0.8918800827642736,38.56993525244176,16.0,34.445060000000005,2.0,16.0,1.2399999999999998,71.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0777,3.3867122385809654,4.053286408341747,4.742928631367791,5.437630377916956,6.123286768900945,6.789769861723026,7.43047157457583,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_11,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414531940299537,0.493344829399963,1.3744558961279696,2.8594155269783683,4.264574130631655,5.1588398481896105,5.616827782977294,5.828142879279744,5.906962803582213,2.3277198206475624,0.3886429173831143,0.0203334718251541,8.182796417704568,2.115129512511928,5.321691286835834,0.2697424331354858,6.727029167209383,14.472542305009432,1.0142255584392112,14.59308424130021,1.0584072905195685,37.509068214171,6.727029167209383,14.472542305009432,1.0142255584392112,14.59308424130021,1.0557890309281548,37.509068214171,24.0,53.930105000000005,3.0,16.0,1.2399999999999998,108.0,5.0,11.00276,1.0,6.0,-0.6500000000000001,35.0,RSM0777,3.2548818202052736,3.9166856448889305,4.604028722453681,5.298489975531745,5.985563151198173,6.654752458607296,7.299127796875011,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_12,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409037674794443,0.4782544360132832,1.2385668422559597,2.43890260780105,3.551129650909896,4.258470737063463,4.621623210922997,4.78946075497723,4.852113032066585,2.0144663017298083,0.3810649938501539,0.0202169204105714,7.065809773177524,1.4926282986307111,4.790054941276379,0.1148536609024915,8.953260670174744,19.489784721601115,1.251483650150805,13.833210598896365,1.0775830634395458,45.16059996331273,8.953260670174744,19.489784721601115,1.251483650150805,13.833210598896365,0.933519550330194,45.16059996331273,24.0,53.930105000000005,3.0,16.0,1.2399999999999998,108.0,5.0,11.00276,1.0,6.0,-0.6500000000000001,35.0,RSM0777,3.428292854363236,4.094259167628169,4.783070261318032,5.47679213503103,6.1613885918967695,6.8267874863665226,7.466421955348157,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_13,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405086202479181,0.477360133405276,1.2373710128397448,2.4332966072144484,3.535843586152988,4.235183054681611,4.593881299858975,4.759603547446575,4.821458562755208,2.0112190327676904,0.3802906247864589,0.020108443365852,7.019690042834871,1.4882794927748388,4.757604465287109,0.1159794194003313,6.513570844547759,14.061148889104937,1.021459043908396,14.08793375272218,0.8933335836296652,39.34492909297519,6.513570844547759,14.061148889104937,1.021459043908396,14.08793375272218,0.8933335836296652,39.34492909297519,16.0,34.445060000000005,2.0,16.0,1.2399999999999998,71.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0777,3.377041271581664,4.042750025242584,4.732074244071892,5.426890366191061,6.113003214445978,6.780218244407966,7.421879975414463,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_14,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411956777155531,0.4923303298210996,1.3709436398038108,2.8528412034914807,4.255596267626441,5.148333935890951,5.605502385810031,5.816427253770989,5.895099419870789,2.322140192669393,0.3879351280072786,0.0202621773859747,8.19693650256724,2.1173100195224044,5.325980072635632,0.2632035552122974,6.735468639076109,14.485438483914017,1.011859855545573,14.622305398229956,1.0722228658300732,37.27599134521823,6.735468639076109,14.485438483914017,1.011859855545573,14.622305398229956,1.069845894287469,37.27599134521823,24.0,53.930105000000005,3.0,16.0,1.2399999999999998,108.0,5.0,11.00276,1.0,6.0,-0.6500000000000001,35.0,RSM0777,3.212034050771196,3.8703572851501074,4.554694788986415,5.246771410163901,5.932122911494562,6.600233807883081,7.244122428478701,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_15,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402186798612194,0.4785708047006941,1.2466598940604696,2.4562224237390864,3.574269963320281,4.284640828294472,4.6492256292748255,4.817703512169405,4.880591721924835,2.0289998622380505,0.3807173635364821,0.0200196784943943,7.127658598810937,1.519428706677986,4.822335065993959,0.1188652929366272,9.40369781385036,20.52581758084408,1.3088348678378543,13.57100430959044,1.0428117227828235,47.45232940099156,9.40369781385036,20.52581758084408,1.3088348678378543,13.57100430959044,0.8657498297804023,47.45232940099156,24.0,53.930105000000005,3.0,16.0,1.2399999999999998,108.0,5.0,11.00276,1.0,6.0,-0.6500000000000001,35.0,RSM0777,3.355504482479043,4.0148154226124175,4.698360734584961,5.388272597089761,6.070446930634813,6.734671025458362,7.37420808449041,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_16,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407035501582783,0.4764706206925647,1.2292546753741591,2.4184835577129187,3.5200927951137047,4.220828505461109,4.580753782485279,4.747151125198541,4.809275042114188,1.9979947311959323,0.3800316414963892,0.0201650208937633,6.986982506291468,1.4655646048800648,4.744350692539559,0.111468598755454,6.35861079642229,13.72772895626535,1.0058141522307704,14.08646685546118,0.8956825344298791,38.83301347072246,6.35861079642229,13.72772895626535,1.0058141522307704,14.08646685546118,0.8956825344298791,38.83301347072246,16.0,34.445060000000005,2.0,16.0,1.2399999999999998,71.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0777,3.4015598700483283,4.068357609512144,4.758127074125859,5.45284392115738,6.138407907467999,6.804706933345975,7.445152932474146,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_17,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413598865639313,0.4938570938394256,1.3797025142811898,2.870702715774579,4.2789369315256405,5.174315361933137,5.63269008245344,5.844148383569993,5.923016444523192,2.337246553965357,0.3888055601538646,0.0203057035581649,8.207312259168084,2.1300081650566605,5.335948652077248,0.2767860779065342,6.707700091814575,14.449241230519814,1.0226271202050228,14.493668035276013,1.0143394572172453,38.28109023957461,6.707700091814575,14.449241230519814,1.0226271202050228,14.493668035276013,1.0100474948804554,38.28109023957461,24.0,53.930105000000005,3.0,16.0,1.2399999999999998,108.0,5.0,11.00276,1.0,6.0,-0.6500000000000001,35.0,RSM0777,3.2407025008158987,3.901708767530198,4.588359350042267,5.282263713667612,5.96893628546048,6.637895653980181,7.2822214337043905,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_18,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407463239150016,0.4780642895883628,1.2378682056419203,2.437279163046781,3.548814743936719,4.255758983173525,4.618713013812272,4.786459322762918,4.849077572367456,2.0131452225666497,0.3808848479428516,0.0201708396532214,7.062689737963984,1.490202178112139,4.790013134521415,0.1147090427805986,9.085072824736562,19.79474145204131,1.2561888908972452,13.75461724307237,1.1232472043742516,44.81355825719957,9.085072824736562,19.79474145204131,1.2561888908972452,13.75461724307237,0.9567244252910422,44.81355825719957,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,5.0,11.00276,1.0,6.0,-0.6500000000000001,35.0,RSM0777,3.423667533759157,4.08847851118174,4.776330593754979,5.469291193127122,6.15330885005568,6.818288532937772,7.457638398996373,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_19,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406805610452809,0.4779262141529375,1.2394448056875529,2.435146017569615,3.533780387119194,4.228840432809877,4.584842634126149,4.749210610214716,4.8105430262040825,2.0136099279163218,0.3806878995887379,0.0201565668218028,7.013548364346536,1.490637361395968,4.753361678945102,0.1172558948992647,6.485590216446497,14.002719198171324,1.01827234324882,14.012188651917253,0.8835027184551082,39.27707440866727,6.485590216446497,14.002719198171324,1.01827234324882,14.012188651917253,0.8835027184551082,39.27707440866727,16.0,34.445060000000005,2.0,16.0,1.2399999999999998,71.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0777,3.372665599699758,4.0392139608171584,4.729174794410285,5.424394423601196,6.110666208122822,6.777795293213498,7.419132288545651,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_20,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1533723954599719,0.7785914351636809,1.898600132792638,3.396192828315043,4.728903984540695,5.562289583168495,5.986511466238677,6.181787840343103,6.254558859976678,2.877698964959388,0.5995401990718816,0.0092344437692658,7.635743914862795,4.088599222224365,4.299919366971052,1.2757797622513811,2.913565513431976,6.15245624185041,0.301803075982321,4.369677843719199,0.5868522989809128,17.683604560102374,0.4971248040650957,0.8349528059717037,-0.181485065891055,-1.927879311690432,0.4155855477458393,-14.53206138035615,19.0,42.927345,2.0,3.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0777,6.509007257023591,7.278861633017095,8.04903040393022,8.812843511118261,9.564398828171203,10.298495400413795,11.010715839149077,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_21,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1033854922779906,0.7317032824122901,2.159722307633959,3.9694337717462487,5.460940328477913,6.367905747082997,6.825754902527558,7.035948320052657,7.114206058006096,3.364408448598498,0.5283199300077738,0.0037886165049165,10.881781671812249,5.228325654102343,6.702603668444809,1.693471471882927,2.182529237802612,4.615885143904819,0.255242876881097,4.224472252851388,0.4926451166701053,16.017503726635002,-0.3698995310083583,-1.0008670881596995,-0.255242876881097,-2.4118425460571338,0.3139751028533376,-16.017503726635002,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,7.799156374366746,8.5690875750607,9.326870292994847,10.069979422877722,10.79516684389614,11.499000474600026,12.178315416678544,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_22,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175842189824483,0.8996908825828384,2.136811751301388,3.837691492025405,5.346533116102823,6.283709809381604,6.758757303281848,6.976974458149641,7.058221472419313,3.2482038201926,0.7082137612385683,0.0233099520286198,10.646240326343085,5.078494921061568,6.438715167092063,1.6547126983742726,2.1507890895130872,4.673226660282201,0.3722287852280904,5.1283477260670285,0.2591362280403596,18.197822635716665,-1.5713047304315435,-3.517434339384597,-0.3721899787608358,-4.549232028424403,-0.0014297425893915,-18.196600231998143,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0777,9.230149102784376,10.003611592290332,10.756757607252393,11.48475067762621,12.183735658747148,12.85097244701909,13.484778906835269,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_23,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1037633691036904,0.7371409366670598,2.174330810643684,3.9335379465448574,5.3138908461028205,6.127149071242828,6.531683736691718,6.716229145615944,6.784762128437119,3.3557414647300146,0.5315793019445779,0.0038348141967063,10.456802845848651,5.193665544572631,6.41210642341365,1.7265637746503362,1.1190540148804466,2.321392867693844,0.0869123414099038,1.8143527461596776,0.335018396478229,7.333516902600312,0.2499306007814078,0.4088416005513757,-0.0869123414099038,-0.4453681304978232,0.2741797574912963,-7.333516902600312,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,7.723831430441129,8.490676074899895,9.243781654065984,9.98141525583084,10.700914658411508,11.399247770206816,12.073499146767553,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_24,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171163076987384,0.8935003820249282,2.0977727835335145,3.703636430977977,5.07200802627148,5.896921994985094,6.308442850987241,6.496076908283794,6.565718579377306,3.154555340614216,0.7044642967951533,0.0234333499555617,9.934738405079935,4.834761458931481,6.058805875047962,1.6060237960586503,1.4687962913238315,3.155680049551357,0.2195770806778534,3.22541293674666,0.2419073233681296,11.735523070176225,-0.7269745154547033,-1.676227790846761,-0.2195770806778534,-2.4835911608775305,0.0882033668936324,-11.735523070176225,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,9.166611570116524,9.941136076462207,10.695273044008136,11.424161519960562,12.123833065925847,12.79143107570547,13.425190323392338,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_25,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.100986383157074,0.7276564688301714,2.1617350336622176,3.915473189248391,5.281602139893582,6.081319855392354,6.477686629950812,6.658197135347889,6.725183197868888,3.34067310451257,0.5234945774267148,0.0036424561701571,10.26967079153889,5.161129596445919,6.273829503865887,1.7055908928422536,0.578177295106243,1.172308577632644,0.0186425826495459,0.7273179563026102,0.2223340538543796,3.263738128522133,0.391751468610784,0.7620688522864086,-0.0186425826495459,0.2426108074144168,0.2092842459996974,-3.263738128522133,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,7.680764231303107,8.465004537118645,9.236506313865156,9.9924275627903,10.72929155778128,11.443530670779532,12.13192912328316,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_26,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2153069727684412,0.888849971232317,2.088675909677329,3.689137479189269,5.058817914670003,5.888877621350765,6.3044296706549865,6.494247953866145,6.564756977945722,3.1413970929775528,0.7004319808408129,0.0231791992390026,9.8680896753643,4.797164228442613,6.02165612315464,1.592757485733716,1.7819558947436145,3.855362103531644,0.2924495056786228,4.121551940172597,0.2446275500134905,14.758769587290526,-1.1425391620426142,-2.5801413426694046,-0.2924495056786228,-3.4821352074715977,0.0399128960384547,-14.758769587290526,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,9.163700509169816,9.948314713043144,10.712353623471602,11.45058904049742,12.15882685925583,12.83409160128206,13.474577237391715,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_27,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1575656563589591,0.7824163978469882,1.8550840556363424,3.2471070703287355,4.490514496057187,5.2762498574123065,5.678877670412586,5.864814656803846,5.934201218757039,2.7661711010817904,0.6053636724453,0.009815444314154,7.009414799383704,3.703829323010549,4.143973900550058,1.219041705391622,1.6577846397686429,3.427549286699408,0.1006768512854262,2.238695794576428,0.5177356404685959,9.684846524572617,0.8040452288439142,1.548851318510173,-0.0700710308995194,-0.0522268504685691,0.4478024278980503,-8.777209202675078,19.0,42.927345,2.0,3.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0777,5.76778967071503,6.544258752624379,7.317691071341583,8.08181532870763,8.831540526981078,9.562524760504942,10.271085045116935,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_28,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1559366235980309,0.77606302543642,1.8485839972409024,3.309862408424208,4.671648309623556,5.548313735564369,6.000732521701613,6.210244458415406,6.288512990811583,2.7956480091403835,0.60046128160563,0.0096760859047066,7.4053169836547506,3.8219478408197727,4.36674147108458,1.20039496274102,1.7120850718438372,3.5270262114619126,0.1091447691391508,2.585243224957044,0.5572314148345998,10.7433207420022,0.6206373804523291,1.1252388112749463,-0.1091447691391508,-0.2525207726608775,0.4808300764371943,-10.7433207420022,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,6.463242498106536,7.25119240584492,8.035383950887914,8.809393796661945,9.56798302292056,10.30672087023846,11.021903074765929,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_29,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1527684737535089,0.7771004702171951,1.8981949293197604,3.3971416660457683,4.729296598557228,5.561555083812451,5.985008284178,6.17989098087974,6.252509185915889,2.878398864317992,0.5981316401290799,0.0091850514959564,7.633998112602346,4.09157427860906,4.294290620771025,1.2755130363490987,2.8312716332862,5.974045955636026,0.2920796048649611,4.359651278863336,0.5911075374664532,17.53834859632427,0.4184883281494326,0.6645908279507017,-0.1904770561623922,-1.929556501465251,0.4199311079678809,-14.871584750528491,19.0,42.927345,2.0,3.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0777,6.5289591008302885,7.309351266432627,8.08691894780086,8.855810269642168,9.61073095396772,10.346938822588651,11.060364377368009,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_30,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1033431177842379,0.7312663402142737,2.158109926945025,3.967522556897925,5.460677689955452,6.36938326536324,6.828271473426417,7.03897147721908,7.117422105548725,3.36233337717292,0.5280283221160584,0.0037910993846537,10.877233035577037,5.220199676853755,6.705354943766417,1.6914640167914328,2.019743321627665,4.261651593222714,0.2265511486159981,3.832152510555651,0.4740023744693145,14.62973958045829,-0.2457681645323161,-0.7237242386696052,-0.2265511486159981,-2.058177353460301,0.3154165704381159,-14.62973958045829,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,7.778149805647737,8.551471106244156,9.312265063332283,10.057910614015984,10.785159588343046,11.490626818357343,12.171211899387314,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_31,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178977243354573,0.8994628648146606,2.135297354996556,3.832760219988802,5.338222188341205,6.273645297490596,6.747961812375571,6.965883161475653,7.047026722465755,3.2446034623156543,0.7081481664047184,0.0234798611368328,10.614558956719868,5.0673163021514585,6.4200853188726725,1.6527238192024354,2.1784052912813507,4.732339656231549,0.3761719707515801,5.187781057293992,0.2640679094609882,18.41546587143836,-1.583314416234451,-3.5455201695817635,-0.3761719707515801,-4.592690182247092,0.0007475299348823,-18.41546587143836,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,9.206200523401982,9.98178568821471,10.737684111137655,11.468699105097205,12.170733229704268,12.840889319414735,13.47738963152075,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_32,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1028432765813551,0.7338481613228365,2.169035459039752,3.9269908688213566,5.305591074830623,6.117175260727732,6.520673921450687,6.704700661826103,6.773033653370245,3.349641648517065,0.5288418417762211,0.0037715814317875,10.432423081188002,5.171471434121736,6.399636909248377,1.7178128334273195,1.5739891757560394,3.317120599058303,0.1726804651644953,2.955432897072002,0.3766493110280088,11.323555182070104,-0.1528154758889137,-0.4828028307283017,-0.1726804651644953,-1.534259197204876,0.2557729854128622,-11.323555182070104,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,7.862154293857146,8.633841167777216,9.392399870527177,10.135578119585135,10.860373593438789,11.563549748028526,12.24208538623157,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_33,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2164932796073044,0.8919594012382676,2.0932262529719545,3.6950943952045474,5.060435064708535,5.883491615558819,6.294042752580063,6.481221633158442,6.550692049250603,3.1472984915434514,0.7032286745827464,0.0232855009902364,9.894116655843144,4.81266518379784,6.039040800476707,1.5989695651459164,1.4765847127727298,3.171351427251015,0.2197114531699223,3.2342763381321085,0.2451212224902604,11.777152627262094,-0.7205298189264929,-1.6635133497087735,-0.2197114531699223,-2.478221444285871,0.0913232052713149,-11.777152627262094,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,9.313485923810951,10.091899351142374,10.849511352596757,11.58145688638662,12.283789112415723,12.953686795409444,13.58942547934484,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_34,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1007108076086524,0.726359587214106,2.1591056478140573,3.911311855916524,5.275128955712715,6.072816456147435,6.46798132341904,6.647901852605448,6.714662266321545,3.3371262888783564,0.5224782590217897,0.0036288130260452,10.252752427358043,5.14664224565716,6.262445326018127,1.701301747346572,0.522659132021027,1.0620733871365584,0.019115379278982,0.6755821662528831,0.1967419776012657,2.995603245684775,0.3315053392312068,0.641429526105334,-0.019115379278982,0.1785823049993506,0.1833612121059783,-2.995603245684775,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,7.780830121424142,8.567752777267797,9.341407544447732,10.099039988455065,10.837253185308333,11.552547978041249,12.241765615630833,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_35,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2151543138248973,0.8889368212637219,2.089524706264677,3.690617014139868,5.060837150061521,5.891485365103659,6.307440126314439,6.497469204484071,6.5680609888589,3.142709046752134,0.7004330494307247,0.0231007354915401,9.866114079319,4.7985625191144345,6.017189281245225,1.5935212309104774,1.7711793968207097,3.835586057435172,0.2941139536821074,4.124091026277569,0.2367111684312642,14.738176057745696,-1.169960140000365,-2.6365444325955165,-0.2941139536821074,-3.5228717694572245,0.0308314008537892,-14.738176057745696,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,9.239827638557092,10.023886393174765,10.7871023749062,11.524344055718846,12.231503163656908,12.90567262160851,13.5450964842151,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_36,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1572341282776779,0.780942603687277,1.8516701703082423,3.2433781478558537,4.488043926270812,5.27486853402634,5.678093430623719,5.86431152585019,5.933803664366583,2.762261674408387,0.6042160936204417,0.0097991471888761,7.003946957202262,3.690724891766727,4.14451181738952,1.2153284789834802,1.4058587151823922,2.8772894565414675,0.0712669585744274,1.974704050636796,0.4917872244997476,8.450681102156148,0.6939955876512535,1.3107976275265645,-0.0711056669318003,0.1238599190558341,0.4419568055725679,-8.446487519447844,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,6.674952666054849,7.45812287799324,8.235895464212495,9.002853613839084,9.754414913628102,10.48654723350886,11.19576332273188,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_37,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1556868355418523,0.7749701117791645,1.844667835502107,3.300042562294,4.656528069173934,5.529967646098075,5.980750773640323,6.189508241062725,6.267495143335409,2.7879361789206274,0.5996117010612318,0.0096634640418313,7.368256255793083,3.794518577600007,4.352844449458342,1.1972401947099378,1.6871856127078364,3.4739072731343903,0.1057881557215898,2.5334908584805547,0.5524448056770064,10.551691177970978,0.6293040554919384,1.1459838966398306,-0.1057881557215898,-0.2170011902807802,0.4783930966718935,-10.551691177970978,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,6.60911517427992,7.409529983383424,8.20348410602117,8.985113188837806,9.749596360168574,10.4928269850564,11.21135957989926,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_38,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1526872154660878,0.7765489197930852,1.8969841110393468,3.399596219365897,4.737236729111873,5.5731499562038005,5.998443618449314,6.1941625405232585,6.26709023097248,2.8791145245392817,0.5977737357803514,0.0091710565560479,7.661778598328225,4.11323968348605,4.303427421371189,1.27574526058286,2.558447114164521,5.385524591537347,0.2688776224014716,4.594707193183809,0.6176689743515448,17.834199890228255,-0.055718614827037,-0.367083031726484,-0.2539555233968399,-2.2182793236502305,0.4323694273998518,-17.420837910962707,19.0,42.927345,2.0,3.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0777,6.634559041232714,7.426494614673794,8.213817531040881,8.991006584942655,9.752992471523276,10.49519917667383,11.213690580941623,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_39,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1031128537815236,0.7307212598513485,2.159699350882187,3.9771859995617,5.479514008334446,6.39394496551396,6.855648725004074,7.067615681277708,7.146533396665801,3.368738100229131,0.5274731275415177,0.0037765787502512,10.923917687707135,5.248096871296308,6.714798810824106,1.6932409931676005,2.102384672049518,4.440278032979073,0.2399464236788362,4.021956061480208,0.4856616346642176,15.310851833824316,-0.2970795647388439,-0.8398677922140306,-0.2399464236788362,-2.216650954169533,0.3176991380890325,-15.310851833824316,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,7.6654751459734145,8.440478643653735,9.20245046927425,9.948962168603206,10.67687045390694,11.382846995193052,12.063823444932831,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_40,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2180196403498238,0.9000985213006624,2.137077306650462,3.841145794112595,5.355039125460603,6.295857120037852,6.772829779910424,6.991943381130072,7.073525748409754,3.250150595822306,0.7087001865662834,0.0234383738187219,10.663132639938322,5.089995782132292,6.44080728054697,1.6553659308180206,2.1759701392949515,4.726734047665703,0.3753132270296716,5.177192032949902,0.2644245208353378,18.382813721856245,-1.5762450434428914,-3.530210577138424,-0.375129809517897,-4.579209403459701,0.0016777492878016,-18.377036070235345,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0777,8.969968085648265,9.746668290767476,10.502517404570924,11.232773344068583,11.93365759635187,12.60249163068733,13.237642982642988,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_41,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1037915804025631,0.7371483711687503,2.174357613112188,3.9346272378223888,5.317506223018602,6.133179393064787,6.539188198594347,6.724466697739226,6.793281567954803,3.3562739728012096,0.5316037641927152,0.0038372041995314,10.472257691910157,5.194348755042009,6.423236659955799,1.7261290545736223,1.443637512240718,3.0314573481606133,0.1477569331270666,2.625692977257252,0.3653744433338696,10.173326223744922,-0.0339318190299485,-0.2200107989057152,-0.1477569331270666,-1.215987284046482,0.261944590144923,-10.173326223744922,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,7.662594689624837,8.429215642952851,9.182121006245424,9.919551987534364,10.638843377836237,11.33696858561871,12.01101940358062,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_42,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.215958210018141,0.8923756948741023,2.0999285248872885,3.709151652327403,5.078148966006671,5.902519992359443,6.313527061145478,6.500874678013864,6.570401816816011,3.159243465067549,0.7031058408390355,0.0231003359814777,9.9521351806953,4.843901556391382,6.062280497670528,1.6081369066416027,1.4691510621329826,3.155805462148126,0.219012464848267,3.221250780919118,0.2431238510586765,11.726004607630252,-0.7209735863496879,-1.6636777133197118,-0.219012464848267,-2.473073305135824,0.0898151256648897,-11.726004607630252,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,9.179526912498648,9.956068202870016,10.711824293523971,11.442043502446865,12.14284250429715,12.811428443439924,13.446082205589546,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_43,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1009029825980341,0.7266786092917935,2.1590914127605725,3.9112052076626016,5.274988135273688,6.072578571393893,6.467666460530546,6.647545321728712,6.714289220124541,3.3370216140707805,0.5228221034414229,0.0036461161819785,10.252805874878028,5.147306573591339,6.265723222026595,1.701297235116432,0.5275086428206801,1.071987689584056,0.0193507606857675,0.6823147283068207,0.1984586697693884,3.024558427818752,0.334001035963004,0.6461641382981839,-0.0193507606857675,0.1791949504768633,0.184913137289351,-3.024558427818752,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,7.678956818036965,8.464724905860137,9.2374189465634,9.994198318698254,10.731615443226756,11.446146037518156,12.134622086300112,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_44,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2155954138874222,0.8893737077666161,2.0861866733884207,3.684098967344164,5.056948145129409,5.891936960215909,6.310858780769204,6.502419169029707,6.573607799034926,3.136622157550771,0.7010801936599569,0.0231767629886391,9.849731994578605,4.786448763544512,6.01498291783096,1.5894577570895423,1.7800803221332075,3.8543887562148487,0.2951334766573423,4.141148135391947,0.2387604746167602,14.803071143812884,-1.1712544444402162,-2.6401768670378325,-0.2951334766573423,-3.532322257698955,0.0321670409566207,-14.803071143812884,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,9.1815633947732,9.96351980593186,10.724387747034012,11.459223167098775,12.164031842328326,12.835972832235798,13.473324838445158,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_45,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1579387295050648,0.7831383420618703,1.8559495009875635,3.249140600955286,4.494546586040089,5.281802856998198,5.685251302447044,5.8715732222861785,5.941104169010156,2.767647205053549,0.6060512132343298,0.0098661354586172,7.023967394194917,3.7063422667589903,4.153703172092821,1.2205715433506346,1.5666746348189835,3.2339194237203364,0.0881157829249905,2.0659346342796896,0.5039595314707714,9.045918393504737,0.8286186740263367,1.6097889030861556,-0.0594954092335388,0.0654505966454235,0.4406472514190884,-8.173656686768815,19.0,42.927345,2.0,3.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0777,5.90168989559705,6.679251181601658,7.451861163822209,8.213972868950954,8.961024499414846,9.689049755266248,10.394621917393964,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_46,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.155206962592806,0.7739283356753893,1.8436055649094705,3.297565195986714,4.649333335668777,5.51804050254604,5.965917840609933,6.173230148106392,6.2506615582338405,2.7863480275440566,0.5986453543759306,0.0096036867089546,7.351223335706623,3.790212161544399,4.341577621451941,1.193706692176721,1.7216076701588474,3.549446301811056,0.1124703395988,2.621370386949247,0.5552335264729371,10.857445142770237,0.5969042741708475,1.0744779943628706,-0.1124703395988,-0.3028584426195524,0.4765042887537772,-10.857445142770237,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,6.417852427870067,7.202845776412428,7.985280367912154,8.758377642468446,9.516596105810022,10.25526027062116,10.970480652501983,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_47,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1531340523057645,0.7778479987338565,1.897286838290033,3.3934300547447296,4.725150780200679,5.5582428783162685,5.982418260165805,6.177696309365847,6.250471632049978,2.875446867176527,0.5988818494079619,0.0092209452975078,7.626660354092989,4.068312690074321,4.303013674031395,1.2733178484248553,3.072487121663879,6.481704343759137,0.2867107443333012,3.4746586385264275,0.5453666413946803,15.320035531180377,1.3905122023163317,2.780431071039053,-0.0496842395362083,-0.9149177537822804,0.4252795967539115,-9.13150960330511,19.0,42.927345,2.0,3.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0777,5.81095728473189,6.578025172081532,7.345960963594238,8.10799606987522,8.858146866702377,9.591143937848807,10.30251233686934,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_48,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1034482873801033,0.731665788422824,2.158426783062716,3.962538018665,5.446130612719317,6.347428993806796,6.802280917989235,7.011078241023272,7.088813647367036,3.359954880151327,0.5283436515231602,0.0037990046672021,10.847540512796902,5.208924714575088,6.694010568292272,1.6925899288352928,2.1644239264070784,4.574649243512129,0.2502695278243376,4.16658014900178,0.4939132825805169,15.827510188522147,-0.3382713518362978,-0.9326618564168914,-0.2502695278243376,-2.3404275744309992,0.3187246131034807,-15.827510188522147,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,7.616274204550792,8.388421383397052,9.1483347137986,9.893324867198176,10.620098618580402,11.32524007403775,12.005626263402773,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_49,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179090345166453,0.8999110230868359,2.137291658478762,3.8351708304041,5.338730812695994,6.271990479163129,6.744943384495137,6.962180371697017,7.043059962094441,3.247184607708519,0.7084177093706476,0.0234606334705119,10.629160762186334,5.070989362868549,6.431673241922397,1.6553502618172882,2.188942611050987,4.754847660446625,0.3776199688626573,5.2099023619522455,0.2660420203002067,18.49711243250808,-1.587257077575586,-3.5548761167599574,-0.3776199688626573,-4.608216828476844,0.0017080420963469,-18.49711243250808,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,9.166748409471968,9.941203700750751,10.6960358605772,11.42608127030138,12.127260566280096,12.796684895906663,13.432578096003574,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_50,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1032256196272994,0.7353397455841257,2.171645474141635,3.929812416561998,5.307899733068399,6.118869865494074,6.5219676911820965,6.705789580967323,6.774042930316044,3.3525004727289685,0.5300522400075572,0.0037964591257474,10.437606234277109,5.182206266115562,6.400671266702037,1.7224084883972692,1.2341787614838826,2.572530651729703,0.1078032596815964,2.096604838936654,0.3470784369573343,8.326959001051339,0.1561461646679183,0.2002638647411402,-0.1078032596815964,-0.7062799127848529,0.271616155180217,-8.326959001051339,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,7.9123683398404605,8.682392872140323,9.438906908009873,10.179880337118068,10.902466873682634,11.603533169159729,12.280120544038247,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_51,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2164212123647754,0.8919890860063733,2.0932119225565,3.69485044527413,5.060224475395794,5.883491604711825,6.294211958170165,6.481483108654025,6.5509902397918784,3.147119493436014,0.7032337021110684,0.0232466152626104,9.897007092223426,4.812010401269486,6.04402617161144,1.5993102739820215,1.4726929707872332,3.161575558244888,0.2177576667106721,3.214754304472609,0.2470527469178084,11.718618188149604,-0.7048836963194878,-1.6302951317101404,-0.2177576667106721,-2.446945030004864,0.0946223802203381,-11.718618188149604,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,9.351065989770271,10.128337355450563,10.884896184693488,11.615859357222243,12.317275263470512,12.986323864780823,13.621283309709325,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_52,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1007238021947058,0.7263055810948327,2.1585521446142786,3.910927372671303,5.276278724573327,6.075576097294688,6.471734661479936,6.652149481390591,6.71909983858478,3.3365083189482063,0.5224746565157448,0.0036282309098721,10.263213264811986,5.14232144889422,6.271883239573016,1.700404287431362,0.5920774563001328,1.200527479066697,0.0191247457294569,0.745075422135788,0.2276155698108273,3.342882196089802,0.4008299990055635,0.7796775044222182,-0.0191247457294569,0.2478320331699082,0.2142282478002075,-3.342882196089802,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,7.755628716974637,8.541892937929905,9.315128760638158,10.07253211075669,10.81065633942811,11.525958952404162,12.21524658559207,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_53,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2153560419560665,0.8893295203834977,2.090288654733793,3.690320512056453,5.056298990278634,5.882333816110897,6.29533418135359,6.483865319123941,6.5538766735627725,3.1431377831042626,0.700775132461581,0.023151427721698,9.859139147551163,4.798112838085288,6.0135254502624935,1.594669019280154,1.780169466957133,3.85315371170046,0.2937631402939855,4.130274589309018,0.2413695247447012,14.776110140665375,-1.1574619359827227,-2.611256947301645,-0.2937631402939855,-3.5075670583346072,0.0357353265389115,-14.776110140665375,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,9.147919584032568,9.930310718433764,10.692358618273383,11.42877167893712,12.135332731350724,12.809060172370192,13.448146711421456,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_54,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.157491644979162,0.7818508125455618,1.853402156295004,3.246110897676116,4.491272114418249,5.27808428446141,5.681193994423826,5.867333541200946,5.936792254060705,2.764675607817479,0.6049679838417579,0.0098187046283278,7.011252226747692,3.700840801969204,4.147900562025585,1.217458845100786,1.5107525510044069,3.1051407729606573,0.0891496863715897,2.215257756777869,0.5038199477920924,9.310136359031109,0.6246883655380444,1.1553104575042823,-0.0880631507216827,-0.0885091254346733,0.4417954548094471,-9.281886432133527,11.0,23.442300000000003,1.0,3.0,0.8900000000000001,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,6.42850682212153,7.2137020626249475,7.993497670426768,8.762322419511959,9.515541728356864,10.249123186006868,10.959601794649304,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_55,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1557388354029749,0.7751629956502939,1.8457505133487784,3.304714428105863,4.667079389297445,5.54564687980225,5.9994828292401365,6.209746108500636,6.2883103422937925,2.7910351599883647,0.5997685039387277,0.009665993588518,7.398198330215306,3.802716044142557,4.369257102747265,1.1999660884016232,1.6662028913303557,3.4271291838239293,0.1010052739539237,2.4742450829617453,0.5520753979784012,10.351119935730251,0.656150151791118,1.204455607725381,-0.1010052739539237,-0.1518920398402719,0.4813717062106546,-10.351119935730251,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0777,6.566396574161964,7.364112560505907,8.15599503117304,8.93602337341356,9.699269563301124,10.441549668854842,11.159360220954827,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_56,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,0.0001385655002028,0.02485782584418,0.2691611957497543,0.8977603577785708,1.6296724866858323,2.1456220292763746,2.4223916652286,2.5526972488226902,2.601704380992569,0.6520389319464339,0.0111784579992093,1.194622803012128e-08,1.2002037072391571,0.1989127981218713,0.8409612051566852,0.0132615154855415,9.216044945378652,20.0783111039972,1.0414534945517064,2.293567228530826,0.4074682079228259,37.52316216103079,-8.022614022597017,-17.171554199648234,-0.8922746292040022,-2.293567228530826,0.0874189762975045,-32.00354414316572,8.0,19.485045,1.0,-1.0,0.2799999999999998,37.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.61,-71.0,RSM0777,21.69017387577475,21.93913652077912,22.134259265862138,22.2897012773425,22.41535164098878,22.51825312890811,22.60351422889425,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_57,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,0.0001447020667807,0.0254259744376157,0.2726577875881843,0.9019758638007314,1.6281089046202757,2.1375369448543133,2.4102377593738344,2.538515112060828,2.586742458159289,0.6568180826164732,0.0114700208557386,1.2854210457378208e-08,1.1840306853512277,0.2027643258314166,0.8253315039795125,0.0149667749821146,11.2995436023603,24.6698325756516,1.3476656246462189,7.4220263011624,0.6947865990765313,48.30241263278091,-9.153691279748536,-19.443328941971007,-1.079434084319749,-7.4220263011624,-0.4045841801698258,-38.37784564070151,8.0,19.485045,1.0,-1.0,0.2799999999999998,37.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.61,-71.0,RSM0777,22.25258255939001,22.516328474112488,22.72310241243109,22.88786708239667,23.021079636638948,23.13019142085394,23.220609680972327,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_58,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,0.0001406812201056,0.0250249750575305,0.2700670342223102,0.8988434278973201,1.6292896192473345,2.143673977078316,2.419501095532941,2.5493452192384902,2.5981763224295173,0.6532742075410518,0.0112692984851801,1.2232721837794812e-08,1.1959202595454954,0.1997980486451451,0.8369988323909497,0.0139786846643464,11.12274360198736,24.31578975036433,1.3240255807126362,7.1693028776994,0.6937665606760489,47.486330787943366,-8.79577619396984,-18.648156668019983,-1.0331546547104462,-7.1693028776994,-0.3966647451557387,-36.72410652586233,8.0,19.485045,1.0,-1.0,0.2799999999999998,37.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.61,-71.0,RSM0777,21.95926126847945,22.21279011184929,22.411474545691743,22.56974276871001,22.697670130910872,22.802431113584387,22.88922917960516,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_59,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,0.0001372373625897,0.0248886945923822,0.2712080306715945,0.902089054977056,1.6313196902218572,2.143349713574372,2.4175560029267005,2.5465654787615915,2.595071815405422,0.6561203349468236,0.0111665672248904,1.163377416836086e-08,1.1924538489032026,0.2022477481774184,0.831294564945114,0.0139534899726806,11.190508777172054,24.455077699782603,1.3333223711733189,7.284565956970377,0.6965138143826222,47.80903081210734,-8.906543640513222,-18.892182266504044,-1.0478267290909649,-7.284565956970377,-0.4031131220227402,-37.245692055060246,8.0,19.485045,1.0,-1.0,0.2799999999999998,37.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.61,-71.0,RSM0777,21.81659532118271,22.070606022454367,22.26954154250169,22.427932773082667,22.55591095919928,22.6606819068604,22.74746704055567,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_60,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0591473532925308,0.3627673895494012,1.2814615805685996,2.849558697704164,4.330141968467919,5.266904352219388,5.744642529672778,5.964589686199829,6.046550718217187,2.287755187725439,0.2601488516362738,0.0035176730874047,7.347988145680206,2.447645547215477,4.405116267519388,0.4081189386490348,6.434589442130403,13.873655255009355,0.7499331381640003,6.7345853963271,0.8354581469346459,29.03262804816464,0.2835971162775771,0.8396844519894632,0.0062553290687358,-6.153416222467656,-0.8354581469346459,3.0039047298303854,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,14.35554984410835,15.157372927014436,15.875923419489478,16.52173579266552,17.1035146258942,17.628594535151368,18.103264428392773,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_61,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0700096544928407,0.3656979402605106,1.1217981986097227,2.296236642088764,3.3839731525883487,4.077443998238608,4.433810834546561,4.598558016916016,4.660061753237002,1.8818132747104248,0.2715284111536951,0.0049913290195166,5.531238413300475,1.4584859934489436,3.5127275186392004,0.1420173246324187,6.7499580948526,14.480341323901955,0.7664672681644729,5.492808394167986,0.7159054053845969,29.599965187083136,1.5925199874762073,3.570801514317571,0.1614264633824855,-4.582045665808663,-0.7159054053845969,8.42353701971358,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,14.496992695533384,15.194379465498072,15.81891915754591,16.381204454961843,16.889797842249934,17.351629977591333,17.772353753742816,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_62,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681312105336657,0.3843664531360551,1.278138848493446,2.772248448024593,4.195086760256177,5.10640100040122,5.57471703177278,5.791138632455904,5.871916637594859,2.2367169749154243,0.2801204729032645,0.0046375167938197,6.742218871401137,2.135999169801289,4.276985356149451,0.4791363665589817,6.198089442804902,13.605190416460276,0.712307586956382,7.526034056571105,1.0601104479824788,28.784170082868016,-0.1046140811336848,0.3031615225005021,0.0020990332150473,-7.483995876142967,-1.0601104479824788,3.926870701921311,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,14.186886864877668,14.933050147466572,15.605551894270793,16.213414878141467,16.764381879689576,17.26502687108151,17.72093234673786,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_63,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0668594014390177,0.3638773365748041,1.1232132262544212,2.3256717346689184,3.4607825949594444,4.189724792370801,4.565260882628623,4.739034650713343,4.803931898045374,1.89770155209907,0.2687938421427631,0.004507410029036,5.335757235448984,1.4133589191454758,3.5329472946949383,0.2235876242451309,5.691499767423995,12.398583633500769,0.6654332744785489,5.956067608552254,0.7797332177091425,25.75240674750988,0.6556059778543932,1.7316815330994633,0.0606211764647875,-5.604781784032197,-0.7797332177091425,4.583983317028231,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,10.015264714931746,10.689964521139466,11.304957340528556,11.865397567152844,12.37643059249859,12.842850113892831,13.268992956992047,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_64,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0688654787358493,0.3709663776609003,1.2158656003439832,2.6590083979023755,4.0476735847295,4.941876793075695,5.40267008437728,5.615891187107731,5.695518281163228,2.139311399340145,0.2731010658224936,0.0048000136579071,6.685089371128729,1.9820202062119647,4.276461151043714,0.3674792138572301,6.109020211893016,13.409724727620024,0.7354952827948958,7.945618568586592,1.0022743625572017,28.49926558328905,-0.4786377878018605,-0.5647252131048742,-0.0757036474127876,-7.901311521900122,-1.0022743625572017,0.1073030260201273,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,15.173968495841772,15.830294603038237,16.421118493447164,16.955317762591353,17.440169881523207,17.88164036197709,18.284656982321305,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_65,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.06518736429505,0.3652957404590248,1.162229403249666,2.529434158740569,3.915211363387633,4.837636224442719,5.320140379511048,5.544827831642319,5.628951440472272,2.028679146664329,0.2683877472893959,0.0042510453755272,6.412388148819013,1.7539679762912492,4.187664118289799,0.3216928311938431,6.078370969243166,13.368807426369296,0.6908587068061603,6.536663011352409,0.9677801214652498,27.795461236639987,0.8122915656780403,2.2701094157042405,0.1125010263132962,-6.412453404540758,-0.9677801214652498,7.552942419389745,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,13.942502210360818,14.827735974503316,15.618660987684722,16.327409900686852,16.964368997905375,17.538367405876603,18.056911626218994,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_66,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0584709940361782,0.3619826750088454,1.2836760997770922,2.854687453199426,4.33750978338641,5.2757416378868855,5.754252372137839,5.974559899433286,6.056655907478619,2.2919913731296053,0.2591122438100879,0.0034373527940198,7.36023977204478,2.4584866448675062,4.403715102300126,0.4103267966679028,6.621392288047502,14.288304243290428,0.7728309800342384,6.546143110557185,0.8118226967721826,29.65383064804084,0.7311111649838452,1.7999314314923078,0.054030334050089,-5.897778543928055,-0.8118226967721826,4.495808038595606,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,13.725614506972528,14.678222140174888,15.52375562185594,16.277213688200103,16.95084829529965,17.55480639191086,18.09761437428813,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_67,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0702917372141487,0.3652406108923083,1.1181807689062433,2.289465518092101,3.3741735244708355,4.06544664270344,4.420608344894463,4.584782661536669,4.64607011931873,1.876098207617101,0.2714849971236088,0.0050353729445377,5.523054935806151,1.451923878830833,3.503197270272928,0.1378986760490393,6.644763769393081,14.244193432560216,0.7425162719682993,5.099118775828428,0.7010987988431368,29.01649328838447,1.7927071754789825,4.003502340584232,0.1954876069666011,-4.170242827977605,-0.7010987988431368,9.870490013325036,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,14.322357766178484,15.004550079267007,15.614613874806327,16.163409182394012,16.65961460999863,17.110184011599348,17.520738322005677,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_68,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0679092052607996,0.3847625167618899,1.283099911146648,2.78828951388884,4.223680942010134,5.143644626213749,5.616545085890958,5.835113306781816,5.916696810018763,2.248457897905373,0.2801771488222316,0.0046026613493589,6.788765670521157,2.157918856139436,4.304755504678248,0.4926149698701361,6.21084573109536,13.643025979097697,0.7129951612253267,7.459332618272485,1.0581203926707323,28.806243475942946,0.0065857742589017,0.5510390504557101,0.0160852537315147,-7.418836661830266,-1.0581203926707323,4.414396713659527,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,14.461648295432942,15.269366830968169,15.992564783147722,16.642831676459902,17.22971233493675,17.761084525732006,18.24350108299344,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_69,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671401107695136,0.3645371454540909,1.1235499225415064,2.3251869701638177,3.4598921745441347,4.188725521462409,4.564233809628254,4.73799909757695,4.802893740669445,1.89746954430092,0.2694005631924115,0.0045442590955449,5.327488040579441,1.4158384984626446,3.525755360385132,0.2234932672478481,5.589457741636334,12.159148334358264,0.6606795020300015,6.2288100879287365,0.7839023137127881,25.46193330735713,0.2350308168193841,0.805007831147284,0.0054587323941147,-5.90418295622728,-0.7839023137127881,2.529206370101093,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,14.389250067117956,15.23480740821932,15.988745698669788,16.663469293817677,17.269434518818578,17.81540922609319,18.308755459981427,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_70,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686998809510348,0.3705585297402471,1.2110616730946893,2.6442847104560845,4.024433411437551,4.913612027714457,5.371904372159362,5.583982731874315,5.663185029924318,2.128072116221879,0.2728366129836291,0.0047742091219348,6.604849608032506,1.9529231475870568,4.23883045277761,0.3687456839173618,6.13821204382022,13.482275967159543,0.7387883340853777,7.895397498470391,0.9997954333519508,28.59091278295248,-0.3646955115572769,-0.31275462181867,-0.0623260158347017,-7.848223844205994,-0.9997954333519508,0.551910535749703,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,14.43187507469406,15.261174493401338,15.999416242186722,16.659655857580304,17.25269130856323,17.78741826158326,18.271186197827618,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_71,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0653667830994598,0.3662704378970328,1.1684859813104167,2.54165460635852,3.931295507017339,4.855957219239541,5.339597708856599,5.564811098215405,5.649131342318531,2.0391278233613965,0.2689377797673981,0.004277767733473,6.417330244235098,1.766649657544094,4.19000458863513,0.3274745806434583,6.054545951559255,13.31337478917234,0.6843834762187194,6.455509174635098,0.9681522495991084,27.672295919379568,0.8379883358566271,2.3268647831192792,0.1190462581737668,-6.3287460844756,-0.9681522495991084,7.885493287806232,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,13.908226506234495,14.798052548027648,15.59202560133071,16.302869341038228,16.94133353722072,17.516471235248193,18.03592660493574,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_72,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0591665412399166,0.3618299878088436,1.2752229264944224,2.8347738972676124,4.308362135430147,5.2411508788393455,5.716977343092368,5.9360682603835935,6.017713928301493,2.2758918050190724,0.2596917964991072,0.0035207243923516,7.335151171479723,2.4370970166048926,4.391082358680283,0.397361456711787,6.462317244818198,13.898073741764174,0.7607201806601026,6.946497508619276,0.8241981392065061,29.20040291793575,0.0247567570063661,0.2399071292778728,-0.0340517940237272,-6.3257120777885305,-0.8241981392065061,1.3833838040016977,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,13.736031522755658,14.68538670673598,15.52735195482031,16.277312220970835,16.947740347170406,17.548890381926025,18.089322691772274,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_73,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0697102996272614,0.3649394599144809,1.118020527301059,2.2901246958156944,3.3794446858210807,4.075151417949683,4.43291643315358,4.59835510670634,4.660123510266827,1.875975756076584,0.270963228870159,0.0049464889934744,5.528171161417696,1.460221774723735,3.513350379467836,0.1433114711619653,6.028616510199838,13.11843205714235,0.6964032637641149,5.9639905236329325,0.8044140982679777,27.112470928026266,0.9629746118091834,2.4020210213047903,0.1011150359271803,-5.538619374366906,-0.8044140982679777,6.27738295373356,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,14.825116830674633,15.60179776659462,16.2899927411634,16.90424005892221,17.455869542488156,17.95379462970212,18.40511866368936,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_74,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0682292685439048,0.3841361848485256,1.2768441869416247,2.7748478199759634,4.205993267743107,5.124334643620301,5.596694187954991,5.815075017281081,5.896598386537324,2.2372360732865646,0.2800921598567767,0.0046514118162342,6.762577570877775,2.1365661272820864,4.294705261758094,0.4797075131074357,6.289030625697514,13.81309278808532,0.7223871317823474,7.516649263522948,1.0648089193317112,29.144236263164387,0.0414013977526748,0.6283544067079313,0.0194074995522029,-7.466293949309924,-1.0648089193317112,4.539949135109327,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,11.685082238895214,12.340539086137786,12.933077051511177,13.47105128815819,13.961199743019604,14.409003457603278,14.818989333797417,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_75,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671621660372503,0.3657517867134129,1.1303768892335568,2.338752560318727,3.477083835540444,4.20715833015738,4.583029525276585,4.756905020353388,4.821831866550482,1.9090195638537253,0.2700550331578725,0.0045440077955712,5.364164188563156,1.4330399156902336,3.544690564897907,0.2286386310056505,5.626721958838056,12.25412605555504,0.6626811973059573,6.084847840218806,0.77871951229032,25.545766311112644,0.4591389841338764,1.2997243102828206,0.0337516625090722,-5.75248457113044,-0.77871951229032,3.53323259322167,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,12.970830678285887,13.813469270873137,14.568023232832282,15.24522387332721,15.854580650306495,16.404329229405516,16.9015359202966,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_76,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0685591229949965,0.3713486910399636,1.218921361667706,2.6573197034407823,4.032880999084775,4.915417605561357,5.369405334022794,5.579314948184307,5.657680426376307,2.140552328306724,0.2730697769830325,0.004753588006888,6.626004424938182,1.9755310593756807,4.23676150647131,0.3718520094621941,6.048702751138336,13.300515904750014,0.7261074779740074,7.730035737281232,0.990676120217127,28.16478027615817,-0.2712333477770084,-0.1019327432339944,-0.0481663788384309,-7.70009561586338,-0.990676120217127,1.065195287722824,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,14.019063592634051,14.807358500071166,15.513809248779028,16.148863595846905,16.72155171986927,17.239547697208184,17.70934071554343,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_77,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650639493318094,0.3636241945275973,1.1541877795445423,2.5087083085896387,3.881290232750026,4.795112153963853,5.273190440241401,5.495834171235493,5.579195372070064,2.0127156723018214,0.2673496921179757,0.0042415693397745,6.330726234734624,1.7204659768353698,4.145171295774617,0.3159838062648398,6.033506313269344,13.264278916827674,0.685582422144324,6.490358634270552,0.9592643018240886,27.58849814103851,0.7852808292008736,2.20298259849669,0.1089654890602291,-6.36009883980752,-0.9592643018240886,7.40690548309519,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,14.726115997120107,15.473998137079525,16.146494274817965,16.75282097929318,17.30085833622928,17.797323681636485,18.24796309168075,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_78,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0591132761690267,0.364338322837123,1.292322471542572,2.8729892538492003,4.362926416860622,5.304947932473838,5.785230569031418,6.00632241687742,6.088705957393232,2.307118021404186,0.2608777434113327,0.0035129097990873,7.389454010450601,2.480739569104415,4.420106854391813,0.4194513193496935,6.558857921322694,14.187687548518811,0.7630442130697742,6.45581332347837,0.821589771502202,29.39322157574979,0.8472349019896048,2.0855545132239026,0.0732762508890358,-5.861075564153541,-0.821589771502202,5.251342899423954,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,13.699165894725668,14.498585632714502,15.214421708576085,15.857518528704215,16.436725219085336,16.959436625651154,17.4319589749544,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_79,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0700107073611619,0.3646790347421341,1.11783317628125,2.292132924736518,3.38130886038745,4.075700935498055,4.432478037041276,4.597396422949549,4.658960881603792,1.8773892303068105,0.2709687784339326,0.0049948008827518,5.526644489330767,1.4457108582429228,3.5116904395721447,0.1372182384635557,6.822844101586254,14.678214366681024,0.7910542321540686,5.982367824002428,0.740324428166372,30.11045689107502,1.3763386919793148,3.1284687898836325,0.1242250906832851,-5.143750725106301,-0.740324428166372,6.771436939597604,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,13.021767536347872,13.692360625792032,14.29523806987256,14.83969551106584,15.333383691073832,15.782581022094632,16.192465605273085,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_80,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0682147619556142,0.3853133826756013,1.2804803973876844,2.774912715398882,4.19895486131966,5.111737304984162,5.581008750607949,5.797915360091318,5.87888122360191,2.2392373889388204,0.280740874350899,0.004645034971986,6.748842691092205,2.142823709109177,4.281034849495873,0.4833893441609302,6.203035952140955,13.61279474411013,0.7148253239258939,7.593327897524514,1.0611155226771185,28.830251360166955,-0.1682035653956389,0.1618061906220787,-0.0072889346059771,-7.551781742472468,-1.0611155226771185,3.5562523115514675,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,12.890951205783002,13.590024761317729,14.221292517680382,14.793378237811169,15.313436556533022,15.78741219221696,16.220289208558768,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_81,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669308941119098,0.3644937629045368,1.1233664256211042,2.3265416434085004,3.4653654235416584,4.197691449683551,4.57516712041784,4.749872680223384,4.815122752562191,1.897884412603224,0.2692806700535697,0.0045116158574732,5.346541019644642,1.419601486608857,3.543405741080145,0.2280918842129178,5.636577112989695,12.275222816964584,0.6622202088472511,6.0749680374527975,0.7826559316907207,25.58697202110204,0.4717999810745139,1.330092930233994,0.0368561350792462,-5.742511696074836,-0.7826559316907207,3.699229439221864,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,14.18658187995074,15.04450803271114,15.810937501149269,16.497871613097118,17.115528832206955,17.67254844561014,18.176234262361344,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_82,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0688070188580462,0.3713650120148951,1.2094799254454411,2.634506244129711,4.011155709873516,4.900947282483511,5.360365997269128,5.573139730593944,5.6526289864511465,2.1209396268997183,0.2734379909941118,0.0047852478256965,6.578806488915197,1.943125763315901,4.222450084263221,0.361348604354258,6.253616618447554,13.71782965952078,0.7562734266165381,8.095499974490167,1.006626744869065,29.12743885049105,-0.4621495332625585,-0.5371581265693843,-0.0792175593361705,-8.022515547886423,-1.006626744869065,-0.1147456578537485,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,14.150255647032386,15.001271366936551,15.759349461567712,16.43744427765496,17.046428172139326,17.59535097868031,18.0917439298462,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM0777_83,RSM0777.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0653130538465985,0.3671654815267465,1.1771558549446646,2.5733869143910533,3.989948992208244,4.932849341337787,5.426018896852102,5.655661160791559,5.741637936315478,2.061671341925427,0.2693736918398512,0.0042662916436362,6.542861048653378,1.816130174001212,4.264936437064592,0.3420202795332048,6.224575101890725,13.711403991814576,0.7019848635528511,6.607836832429519,1.0060446785431714,28.457207885522514,0.9579570701624794,2.6256378255463915,0.137211976101749,-6.509118762451313,-1.0060446785431714,8.690156824733943,17.0,38.938645,2.0,1.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0777,14.60343445528765,15.399271625698267,16.114216661029378,16.758199718700276,17.339734288729687,17.866087975539866,18.34347865879278,Cl[Mn].[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]srs.cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes Cl[Mn], [Mn], topology srs"
RSM1864_0,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0051652360449031,0.2093325619680454,1.350034291215721,3.682860905804618,6.124741580467034,7.758342671558788,8.613580155410007,9.011910556161205,9.161053710356594,2.811414888066235,0.115558487672186,9.64617456604102e-06,14.05480670754652,4.152565792099688,8.560865904462219,0.5437943945641923,20.654340597593887,44.06403037418708,2.063299061560388,5.978650018009991,1.3633885949600304,59.15923132125772,-20.654340597593887,-44.06403037418708,-2.063299061560388,4.839266909923007,1.3633885949600304,-59.15923132125772,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM1864,20.63294158291715,21.089885747877013,21.45837630569934,21.7591196207129,22.00728035374611,22.2141204533376,22.38811420234201,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_1,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0046338907339811,0.2157435676185422,1.3645256821031766,3.646206343744811,6.020780067643182,7.614644111041756,8.451887320321518,8.842569951375365,8.98897338698618,2.7978299242230817,0.1183515068398724,5.086846532667076e-06,12.472353584728454,4.019370764934726,7.479868472951623,0.5257661359614791,20.579270721793065,43.9294874678192,2.0778061355478625,6.198790633685551,1.4181110329543247,60.550075879385,-20.579270721793065,-43.9294874678192,-2.0778061355478625,4.798280193824031,1.4181110329543247,-60.550075879385,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM1864,21.21251608171328,21.5973965310864,21.901622739739604,22.145918441753047,22.344854821909287,22.50888481207833,22.6456465729527,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_2,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0042568087168905,0.1977118694733003,1.3030801131325884,3.5583408109999466,5.87055181069384,7.393901225454457,8.185479569562759,8.552949649019041,8.690352877576304,2.7208819982636303,0.1079612985343341,5.370429246612753e-06,13.220839653503852,3.96492586087442,8.027522040125499,0.4822152566943631,20.83951203090072,44.46947406478089,2.0983513378961294,6.144001348060586,1.3464977301740868,60.68703349822552,-20.83951203090072,-44.46947406478089,-2.0983513378961294,4.373677265930259,1.3464977301740868,-60.68703349822552,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM1864,20.69726556184681,21.13215834901167,21.4764716990511,21.753194141190484,21.97860523334418,22.164447596265767,22.319337933510702,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_3,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0052252055789774,0.2249557910717203,1.3891551495702164,3.63074415257154,5.874944297041459,7.344548995091945,8.107396696943903,8.46150144587569,8.593912230575558,2.808420327466046,0.1246963297157067,6.801092101462956e-06,11.84655245793272,3.977566161130987,7.106505151606979,0.5425447804171781,21.33080857426864,45.52293830784174,2.1698089912298872,6.367281338030235,1.2625785966111698,63.23258651474893,-21.33080857426864,-45.52293830784174,-2.1698089912298872,3.310719495892268,1.2625785966111698,-63.23258651474893,-20.0,-42.694,-2.0,6.0,1.53,-53.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM1864,20.46590764486433,20.92849142258573,21.297076637858623,21.59517593871168,21.839477703838444,22.042058071306634,22.21181375106975,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_4,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0052561936223934,0.2105787773487956,1.3515865144548584,3.682333150349564,6.123353764766375,7.757201170185718,8.612789517577337,9.011330118912197,9.16055924657354,2.811580585092096,0.1164472411667615,1.0044513172791564e-05,14.034779557849271,4.152091896744074,8.550148645842418,0.546416250755907,20.66075426631021,44.078032649353226,2.064475313559936,5.983998869289158,1.3627823288522751,59.20950061764452,-20.66075426631021,-44.078032649353226,-2.064475313559936,4.823443225210303,1.3627823288522751,-59.20950061764452,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM1864,20.394681015028542,20.87279765898406,21.25929797067543,21.57537043184037,21.83661332017856,22.05466012259889,22.238295988358622,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_5,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0046275640777359,0.2154839645279995,1.361450571881757,3.637835363751976,6.009143645015588,7.601750366124389,8.438551406788383,8.829070529912833,8.975419128870573,2.791164896285758,0.1182288343913853,5.064663134314655e-06,12.416704539114118,4.00132044358371,7.449608277493535,0.5232687428097214,20.575509464952813,43.9213802599761,2.0772184154833297,6.196674689880488,1.4186828171272428,60.52774175906904,-20.575509464952813,-43.9213802599761,-2.0772184154833297,4.80674321118055,1.4186828171272428,-60.52774175906904,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM1864,19.65358796625201,20.06323533286088,20.38757156374248,20.64829742174066,20.86076361888496,21.03602951521076,21.182201280564765,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_6,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0042578706618517,0.1974893296580924,1.3034225047996622,3.5599552045621072,5.872674385647088,7.396227531226459,8.187912879127015,8.555436275594776,8.692860231837678,2.72215161723265,0.1078124603427347,5.466255448763655e-06,13.2250552925776,3.9663335904432206,8.028591930768833,0.4827730393528067,20.83198491178159,44.45346364828472,2.0973827251058785,6.141842339277199,1.3480327039665658,60.65686619850357,-20.83198491178159,-44.45346364828472,-2.0973827251058785,4.388953287371375,1.3480327039665658,-60.65686619850357,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM1864,20.77383018848775,21.265724659518245,21.655244293701585,21.968322668310545,22.22334911822408,22.433599240894026,22.608819920572312,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_7,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0052507803727933,0.2252275138591391,1.3894133662116073,3.632459764513341,5.879386966923027,7.351026059458691,8.114963424642959,8.469578675415304,8.60218094363826,2.80937823963812,0.1249081305811675,6.930431773466469e-06,11.856520693571245,3.9816092779744894,7.113285043483647,0.5439394578661868,21.32599101087552,45.5128384635934,2.169329512183247,6.367304110956956,1.2637576346556605,63.22311079844972,-21.32599101087552,-45.5128384635934,-2.169329512183247,3.319372891658515,1.2637576346556605,-63.22311079844972,-20.0,-42.694,-2.0,6.0,1.53,-53.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM1864,20.9276610371503,21.396622175290545,21.769887841281378,22.071548407761,22.318645842936363,22.523479669309587,22.69509217290108,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_8,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1867796213396711,0.8278777911750367,2.165070880882785,4.265494095917702,6.365969689573185,7.771454521191288,8.51074712020464,8.856090323504372,8.985569831018125,3.5042096698843377,0.6391623695899552,0.0180778192156635,13.24367862524283,6.29139650439418,7.451049685044849,2.050519832253193,7.432892042881908,15.92672395371455,0.9889225376047888,10.654808350938758,0.7768662918638183,34.06988770054632,7.432892042881908,15.92672395371455,0.9889225376047888,10.654808350938758,0.7121070272015979,34.06988770054632,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,2.0657812948882404,2.5907487998763106,3.1901338229411023,3.852320177452099,4.56340529198286,5.308959889376008,6.075271555690277,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_9,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2025577211057732,0.6939319603671941,1.7774041738208322,3.706630728541602,5.745692764447966,7.134838805968522,7.8703105940943265,8.214762759887313,8.344041200468167,2.987716873211137,0.5512259157170296,0.0364034356910606,11.023107666152216,4.147509966373363,6.714835626959037,1.1780895200852983,7.709082772536328,16.501840274624467,1.0310806079485255,12.339619171660376,0.9717785121315768,35.18084660705692,7.709082772536328,16.501840274624467,1.0310806079485255,12.339619171660376,0.9218141571461193,35.18084660705692,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,2.823925573051031,3.5318312888926893,4.264731133383336,5.000680164785924,5.723574312966367,6.422609122659361,7.091285778078534,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_10,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418767094020065,0.598521109692231,1.7754987634458184,3.7463296065554834,5.726210446549248,7.046254706242147,7.738762694508302,8.061819899944906,8.1828739765472,3.0285086652422444,0.453500692854804,0.0188013588110852,15.063929111640192,4.323311024763626,8.878898532442726,0.3640626000366707,3.14823764233949,6.80331345177644,0.5088246125459166,7.218834542706822,0.4475317658369011,19.87653466651671,3.14823764233949,6.80331345177644,0.5088246125459166,7.218834542706822,0.4475317658369011,19.87653466651671,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.24156812296882,3.7502932355882574,4.28699468577703,4.843647531610821,5.411524918078261,5.982474481704906,6.549624851393589,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_11,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.144970507268298,0.6413650135387136,2.1611444409069485,4.748814672438486,7.215145684034,8.80245812839859,9.62146066813625,10.00077314563411,10.142487429249668,3.821759830483668,0.4748475099777763,0.0196123258321157,18.93171215512152,7.118788775304923,10.756073058312364,1.413026167353445,3.793834962105763,8.216727358863064,0.6202173574593394,8.13575635854882,0.4366429532752839,24.71167626729565,3.793834962105763,8.216727358863064,0.6202173574593394,8.13575635854882,0.4280835692592276,24.71167626729565,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,2.923615909925907,3.400460588871799,3.912171546698724,4.450523606164752,5.00620663537544,5.570262662772685,6.134925273975442,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_12,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1459391324067538,0.6442083657002056,1.8343689900862608,3.6174241055258034,5.331494833845114,6.465119087785383,7.059589535167554,7.337032263355092,7.441023134289946,2.9835376732959604,0.4859989408668167,0.019057161328311,12.51791185023987,4.049351851218635,7.526463897150551,0.6872961147174261,3.048216703924613,6.57692513961724,0.4781949160398369,6.611428362467811,0.4227469825810963,18.3449953187836,3.048216703924613,6.57692513961724,0.4781949160398369,6.611428362467811,0.4191240861889586,18.3449953187836,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,3.4349745448947693,3.94802238911905,4.487003575811374,5.043951100903211,5.610299507291691,6.178110537361531,6.740745788427017,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_13,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421279544047003,0.5812333524456703,1.6837534347193337,3.496654679321836,5.277517629060384,6.449611470079091,7.060872076514365,7.345295714231005,7.451761599785347,2.841788208936988,0.4439920639135639,0.0189693235297037,12.980352843129223,3.694706711959911,7.728852421299322,0.3352153401701322,3.0091801385712564,6.489787418795354,0.4736995668446754,6.79877667332866,0.4519899017369628,18.113068986270992,3.0091801385712564,6.489787418795354,0.4736995668446754,6.79877667332866,0.4519899017369628,18.113068986270992,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.231908573181344,3.7270765586183168,4.254358777660899,4.804870086449626,5.369070369535067,5.938114024827935,6.504572586854902,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_14,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1462690880042235,0.6761130996518369,2.2106774243376144,4.756263194777018,7.19461868900879,8.772500268180512,9.588702699135297,9.967118734403416,10.108557650117904,3.844160273196692,0.4992604037272987,0.0192057485330399,18.780888591209727,7.105227307211639,10.87897569278942,1.571107763409259,3.311752827434915,7.210782541030796,0.5877294882824821,8.013588733694771,0.3726456700929738,24.58230004259917,3.311752827434915,7.210782541030796,0.5877294882824821,8.013588733694771,0.3726456700929738,24.58230004259917,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.363774556008922,3.842912138127201,4.353219496059404,4.8872006505515175,5.436113181699448,5.991484098298984,6.545983678122159,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_15,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1424644261133656,0.5985945735354757,1.882701249176112,4.142783673321646,6.369523256833693,7.818254706303892,8.567697753640292,8.91500258372731,9.04477765152193,3.320662106969683,0.4521659065794052,0.0189360170854868,16.807065924844355,5.128985014459995,9.917817789419905,0.6294968769088786,2.4015399579588577,5.217265253133964,0.4148745099434678,5.7205360375066,0.2911847428358635,17.033515906248457,2.4015399579588577,5.217265253133964,0.4148745099434678,5.7205360375066,0.2911847428358635,17.033515906248457,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.54414927314574,4.0415497632042525,4.5667827436789725,5.112079982769454,5.668814609656416,6.228869070733749,6.785384589931953,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_16,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421396135400587,0.605175718248908,1.834942937520705,3.801936326238153,5.685250432922484,6.916170839823808,7.557602444283805,7.856127084396135,7.967892341118958,3.0999743001799507,0.4558752044619115,0.0190232036226321,14.201196028530635,4.43636019292524,8.209408083820964,0.4976667404196814,4.418817859987648,9.510512300306203,0.6528891426434815,8.25171497611699,0.5416184060850032,24.20395755297055,4.418817859987648,9.510512300306203,0.6528891426434815,8.25171497611699,0.5224201847871286,24.20395755297055,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,3.068139733450904,3.58472676428506,4.131453169911028,4.6991364856786895,5.27823158675668,5.860043073029043,6.437364475883935,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_17,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1392908335359065,0.578365837020843,1.759951214163403,3.740550675344916,5.708071603320473,7.023004633785236,7.715698959673001,8.039646624499616,8.161172698675003,3.0237712432602453,0.438422334559945,0.0184192314942169,14.71830733402603,4.280761858950161,8.457437367368469,0.3385006795334717,3.647829731915659,7.868680138131788,0.5646728873524444,7.521931539855752,0.4721092598489003,21.56364543689829,3.647829731915659,7.868680138131788,0.5646728873524444,7.521931539855752,0.4632258515462791,21.56364543689829,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,2.9903835282421074,3.494103239881008,4.031495542450019,4.593118560969869,5.169025522698866,5.750091899807827,6.328709750783509,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_18,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426008870481042,0.5197357236718942,1.7175578494583386,4.21599512682497,6.918701049025061,8.758780699302498,9.73031164310638,10.1845463504589,10.35489383087681,3.2701557633666645,0.4009882818931194,0.0206121040198769,17.195715601479105,5.244534242707124,10.298472981981256,0.5964344811992606,5.268697199587257,11.384997875853216,0.8427082169582345,11.532045526913612,0.6962989409119738,32.85108236414279,5.268697199587257,11.384997875853216,0.8427082169582345,11.532045526913612,0.6896936052729993,32.85108236414279,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,3.2794784367742533,3.945442464971807,4.63147353249678,5.321006081722479,6.0011117832295024,6.6624827191355305,7.299003190300962,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_19,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420299512473045,0.5211934376991192,1.770155147262687,4.406705032751902,7.243369011466439,9.159864856041487,10.16689409333077,10.636610184228728,10.812583531100966,3.4088649206407164,0.4006671367497818,0.0204624252624635,18.537162796724903,5.791661144644412,11.054942488448098,0.7330094628064044,4.51573453503715,9.78721039977643,0.7577302036991679,10.577576164630493,0.5895162591340953,30.462441583756,4.51573453503715,9.78721039977643,0.7577302036991679,10.577576164630493,0.5895162591340953,30.462441583756,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.186127813725216,3.8530078185724217,4.541705360094549,5.235064985406499,5.91967567117837,6.585868004713854,7.227272662801635,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_20,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1456824793754982,0.562753528652392,1.6085373910713587,3.4138874919008484,5.304962894179695,6.603721762007074,7.295520907785361,7.620498430012879,7.742625451042762,2.747293093167712,0.4338782543506537,0.0205516058641557,11.796050261958294,3.346651699988732,7.673716426101624,0.5299298843484476,4.198016608002747,9.107961924821105,0.7135212099308688,9.906186287449696,0.5302651219408432,28.956401655147072,4.198016608002747,9.107961924821105,0.7135212099308688,9.906186287449696,0.5302651219408432,28.956401655147072,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.6761918062202135,4.346459719422579,5.030111399449038,5.711959247198263,6.380485234274292,7.027632869723478,7.648308178910212,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_21,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141529967269842,0.5046821899320525,1.465655785027365,3.198139798987388,4.983991735330105,6.189612995042522,6.82607038798001,7.123841677325257,7.235556883458818,2.5595322464188777,0.3942898651695091,0.0203236562822602,10.951276886964695,2.9806346562257704,7.00872083976974,0.352302330508626,3.65327766250481,7.901415886123305,0.5969888180183112,8.429188206651299,0.5063583071697093,23.52282894875773,3.65327766250481,7.901415886123305,0.5969888180183112,8.429188206651299,0.5063583071697093,23.52282894875773,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.2713983690491624,3.958914334756829,4.670466271612503,5.386406139707106,6.091606871341605,6.775411245466514,7.431030350342909,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_22,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426515084994248,0.532951744847658,1.6299895486999725,3.5794767063580863,5.58428785073944,6.94501720135206,7.666241861743401,8.004360398544652,8.131324817602442,2.8634112994228342,0.4097258783367597,0.0205273160738198,12.611106159732511,3.6099499017551815,7.983969578744674,0.490241144392288,4.5584732164496335,9.85619880084184,0.7254063603925925,9.39748256368585,0.5284258048338232,28.399325517763817,4.5584732164496335,9.85619880084184,0.7254063603925925,9.39748256368585,0.5151100883856178,28.399325517763817,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,3.3718851949403628,4.0376621236188575,4.724207397639337,5.414493583809131,6.095248556428534,6.756950364473789,7.393377142446138,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_23,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1442328690358865,0.5421326835243289,1.5450056583404617,3.2895123430371025,5.076693416493841,6.283050572649853,6.920166664900239,7.218324490977288,7.330198125369102,2.6491089744584846,0.4206139856530875,0.0204335883862821,11.24578691202696,3.25994657671434,7.286439680999431,0.4603602507834062,3.286927590805447,7.118760013790944,0.5465281355836501,7.659152675474648,0.4379425236890801,21.822331536828266,3.286927590805447,7.118760013790944,0.5465281355836501,7.659152675474648,0.4379425236890801,21.822331536828266,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.1517790381176765,3.841176265465186,4.555999859983487,5.276225679678082,5.986388473463857,6.675554893532129,7.336723373740237,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_24,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.142713183894388,0.5250546601187389,1.4089506063497632,2.6964385062591743,3.8621028950813487,4.609771656493558,4.997407354663792,5.177557389248038,5.244974504944444,2.248861346978505,0.4092630631976869,0.020346593559721,7.868104927569491,1.938267353398842,5.358346065871474,0.3132444067114591,2.008350568920172,4.392782127736022,0.375775376194292,5.014553578474508,0.1891371728051787,16.262523488999584,2.008350568920172,4.392782127736022,0.375775376194292,5.014553578474508,0.1891371728051787,16.262523488999584,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.67260975726446,4.321299038311881,4.98840170949619,5.658019519433955,6.317883526676065,6.959242828406312,7.576403886061741,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_25,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1423931261055042,0.5227892373998467,1.4166312557472618,2.779799551671508,4.05200681958645,4.876221575400028,5.304617709687497,5.503834916953077,5.578400023490017,2.299117421845753,0.4077322674408943,0.0202677186192775,7.9721027383315075,2.0348200947046613,5.367431203933436,0.3206252918398666,1.851904925144954,4.03847026184566,0.334743285111513,4.5298512060370575,0.1964540321054174,14.172505332081144,1.851904925144954,4.03847026184566,0.334743285111513,4.5298512060370575,0.1964540321054174,14.172505332081144,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.5677797699891447,4.2202051341508415,4.891245079932759,5.564692208924209,6.228101647033543,6.872639229794322,7.492588420972515,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_26,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422939496691687,0.5169177590980616,1.648425595500469,3.738532358879018,5.755774079175575,7.045841576623715,7.707964793088686,8.013789379266894,8.127913580582755,2.981302340377053,0.3998258823031597,0.0204841420660721,12.873501694617818,4.10861140961045,7.97263996815906,0.6951251514287702,4.528060598712846,9.795775460638062,0.7317716089092691,9.77642768131438,0.5557038517250368,28.843340682372865,4.528060598712846,9.795775460638062,0.7317716089092691,9.77642768131438,0.5473379622624148,28.843340682372865,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,2.7879331970580497,3.375832289183628,3.998180724458993,4.638843144718596,5.284098360050388,5.92315965311197,6.548134060654354,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_27,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402930257151725,0.4883320233331376,1.3402769748888494,2.927107093474052,4.603621412493967,5.742330106893999,6.344087345501965,6.625655760413461,6.731290831638449,2.334900058590163,0.3864555877737492,0.019939965965243,9.103955885866636,2.222471997249108,6.092699784298968,0.3036710948545968,5.364997050268834,11.564412848631909,0.7962745403090928,9.273068207190963,0.5393162656465365,29.96942906981402,5.364997050268834,11.564412848631909,0.7962745403090928,9.273068207190963,0.5053154895508375,29.96942906981402,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,3.151497759808835,3.750344310251732,4.377564753776819,5.0179085447437215,5.658632833363056,6.289905723461303,6.904698552119533,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_28,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1871754078363832,0.8284420527255992,2.166570633522839,4.268394409749807,6.369890518282279,7.775928839187356,8.515482273542949,8.860941056607096,8.990462923355086,3.506656000047818,0.6396500697602271,0.018279896058643,13.254429055927456,6.297797675823388,7.453569407051308,2.052035251007886,7.461047477784585,15.986911033369974,0.9921334760782236,10.66790269852692,0.777511120379661,34.171339902788475,7.461047477784585,15.986911033369974,0.9921334760782236,10.66790269852692,0.7121891370231752,34.171339902788475,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,1.9796940769065368,2.4861467763310827,3.0690775760223152,3.7173140303778105,4.417103028478271,5.153951203734014,5.913948046975779,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_29,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2027857470240643,0.6951055262707817,1.7807908860143975,3.711574219895464,5.750317882719673,7.138617249684836,7.873491781269767,8.21763369122714,8.346790974346963,2.992375484788846,0.5520985494847993,0.036440895282552,11.044186093271852,4.162157833759918,6.723716639628332,1.1802837254219467,7.73616965948741,16.559865275567503,1.0342196360985634,12.348526197251802,0.9716588388526356,35.283697894187014,7.73616965948741,16.559865275567503,1.0342196360985634,12.348526197251802,0.9210966407670642,35.283697894187014,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,2.8564737346152813,3.5614111196292138,4.2915298985898005,5.02480279934364,5.745100782630664,6.441621019461182,7.107874661563929,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_30,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418103973308154,0.5983261407258258,1.775848740825442,3.7474154852361137,5.7263090263724985,7.044855633327819,7.736355383789181,8.058895274477356,8.179748195261665,3.029516925377151,0.4533361530105301,0.0187816525593416,15.07474376848786,4.330905916817066,8.87941711547446,0.3644107511310606,3.1726026870339203,6.855775418892074,0.5125777608415659,7.273224773766448,0.4513372432624958,20.017429823740013,3.1726026870339203,6.855775418892074,0.5125777608415659,7.273224773766448,0.4513372432624958,20.017429823740013,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.244222974840518,3.7523995505672025,4.288477520129209,4.844502019656973,5.411794515936626,5.982231668725662,6.548956222591523,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_31,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.144907754735214,0.640053073450588,2.156314239917484,4.743261093469114,7.212071573388338,8.802025451283225,9.62264221444707,10.002753735222598,10.144774465903115,3.815959437130121,0.4740804379547736,0.0195990243127921,18.90407515591286,7.089724144205683,10.744378908084553,1.4014148697940116,3.833703262311711,8.301750811653115,0.6244287297903791,8.143331563417401,0.4368975566988095,24.835409718289704,3.833703262311711,8.301750811653115,0.6244287297903791,8.143331563417401,0.4274269640419986,24.835409718289704,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,2.932249826062539,3.40843204369728,3.919462772674396,4.457138856992827,5.012171062588556,5.575617903346376,6.139723805422161,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_32,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.146045405575785,0.6455860044692863,1.8382632353010984,3.623048885663637,5.33781200874658,6.4716656445041885,7.0662143190277815,7.343686222643472,7.447686987347647,2.9887206838621587,0.4869358735484946,0.0190588316854412,12.54973036470848,4.0663043300681085,7.540173214627017,0.690180778156863,3.0451360827378027,6.570463375614719,0.478102964608221,6.6201981344216,0.4233797950133065,18.34856782253588,3.0451360827378027,6.570463375614719,0.478102964608221,6.6201981344216,0.4199307053512697,18.34856782253588,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,3.4396724586950205,3.9522930114116894,4.490791654243477,5.047237422474836,5.613087656523222,6.180417485629552,6.742595545400329,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_33,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421496535773631,0.5810683178955656,1.686043038371115,3.505228656427305,5.290255013384902,6.4639513762040455,7.075748565305169,7.360359592655638,7.466885997286183,2.848256259919681,0.4438584273307427,0.018977775120376,13.01986820740197,3.713697449371879,7.747125425313504,0.3391890648507257,2.928454539813285,6.311442827438537,0.4568722189359037,6.583432291300514,0.4476093010795006,17.33878262644683,2.928454539813285,6.311442827438537,0.4568722189359037,6.583432291300514,0.4476093010795006,17.33878262644683,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.243709639840996,3.739658574004445,4.267520656253153,4.818428879663536,5.382868169902883,5.952019865340812,6.518481241025597,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_34,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1462485392539976,0.6760334168198522,2.210427347853716,4.755857607576647,7.195028459027,8.773881727380349,9.590697983545011,9.969421326544722,10.110978587525636,3.843700432388416,0.4991800877969916,0.0192049590070776,18.78109560973957,7.103422223795829,10.878597550113597,1.5683362226154451,3.314906028835205,7.217324759469929,0.5879758072456596,8.018712486800482,0.3735781033576748,24.58377636302015,3.314906028835205,7.217324759469929,0.5879758072456596,8.018712486800482,0.3735781033576748,24.58377636302015,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.3502037462887224,3.8301444349173592,4.341204252464808,4.875874055755248,5.425406187255355,5.981327277018803,6.536310203664156,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_35,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1423397042720808,0.5991009297808291,1.8874854551271,4.154173527758174,6.385459045334297,7.836288379047922,8.5865909488393,8.93424636796532,9.064144994655328,3.329897203834267,0.4523265403848903,0.0188999872512474,16.861319060828194,5.162561082370639,9.94461658733705,0.638427509085522,2.404684371672884,5.224468451300711,0.4157787289658369,5.730914203399579,0.2908852641424214,17.081089169244162,2.404684371672884,5.224468451300711,0.4157787289658369,5.730914203399579,0.2908852641424214,17.081089169244162,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.5278851215220697,4.026259367026639,4.552386233836522,5.098503351713656,5.655991051219955,6.216738817358267,6.77389427113537,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_36,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420668776773319,0.6040140280044167,1.8306635531230504,3.796082753962831,5.679964082422611,6.911771403004222,7.553756624785733,7.852554178641052,7.964423722436026,3.094328289396446,0.4551654695933562,0.019012446266764,14.201000691775173,4.420440888091124,8.211762059166174,0.490273265152106,4.423098293163188,9.519176631270849,0.6527381082449454,8.238792627986994,0.5414741743757295,24.17883776753128,4.423098293163188,9.519176631270849,0.6527381082449454,8.238792627986994,0.5220550765648072,24.17883776753128,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,3.063134965484541,3.580366696394014,4.1277231261326754,4.69596773546058,5.275531637601163,5.857714769208068,6.43531684030903,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_37,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1393623557944569,0.5788942050383088,1.7627455919104915,3.7452903173451775,5.713287397388108,7.0282197947143725,7.720868165303427,8.044788060484873,8.166302952751995,3.028053780270503,0.4387272179039037,0.018439430539288,14.735668871197197,4.29492321274896,8.464164245491096,0.3416867147478359,3.657342926364098,7.88821162629764,0.5653098232332955,7.542049782890976,0.4759455218838413,21.55830373565568,3.657342926364098,7.88821162629764,0.5653098232332955,7.542049782890976,0.4671381980024865,21.55830373565568,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,2.972057259829782,3.4745988106556243,4.011045769252345,4.571938913931738,5.147316020749175,5.728035052417771,6.306467969787904,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_38,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425880613943315,0.5195913631116269,1.7182564034764702,4.220402455921906,6.927648282216224,8.770938077730463,9.744192875313182,10.199239822925884,10.369892904954495,3.273059763561057,0.4008814197889086,0.0206096538589755,17.235415153037902,5.254972007838605,10.320413691342486,0.5966678188288925,5.240333682104634,11.32353493186646,0.8382043882434906,11.481909511083002,0.6941990833270684,32.67152131379385,5.240333682104634,11.32353493186646,0.8382043882434906,11.481909511083002,0.6877906456927267,32.67152131379385,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,3.2890144103277827,3.954762066755909,4.640545799827216,5.3298161084267,6.009655528431389,6.670763200972521,7.307027890308983,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_39,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419514967779719,0.520710271818079,1.7665941043454882,4.398931262451895,7.234313523808343,9.151206772390164,10.1587559398414,10.628778451995029,10.804876440472738,3.402263166749613,0.4003909771713235,0.0204407078728846,18.483946831159443,5.76259447389349,11.032004638486155,0.7281645803647245,4.4844205139146815,9.72002766350707,0.7531405719002339,10.509545089116552,0.584196298555397,30.29773746344296,4.4844205139146815,9.72002766350707,0.7531405719002339,10.509545089116552,0.584196298555397,30.29773746344296,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.1840779688188494,3.849425193071633,4.536681500805251,5.228764628553089,5.912295325388248,6.577607621457329,7.218318844593376,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_40,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1458355456161921,0.5639858640585061,1.6124250800241753,3.422751990567116,5.3208567344914055,6.6254047280374895,7.320548591696876,7.64715259209421,7.76989944526167,2.754137636520184,0.4347437799903035,0.0205701540745161,11.844780822287635,3.3674489326889647,7.700348048100134,0.534195633622412,4.180392704997652,9.0699230195458,0.7107174793006209,9.866132539402615,0.5276794800352909,28.8482600260552,4.180392704997652,9.0699230195458,0.7107174793006209,9.866132539402615,0.5276794800352909,28.8482600260552,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.6701551290765417,4.338600780872113,5.020821590554211,5.701642821289417,6.369516020357101,7.016332387470422,7.636938674554399,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_41,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416281910527321,0.5051679480985126,1.4668815130944517,3.201403291754053,4.989839392810697,6.197304139178605,6.834758286535101,7.133001374926014,7.244894492179241,2.5619540756048487,0.3946536497473153,0.0203478349106981,10.978970247978245,2.989107104957914,7.02815572979048,0.3544945943855964,3.63647061707646,7.865642152973614,0.5948019691806203,8.394886370521423,0.5029811749925241,23.45378475726112,3.63647061707646,7.865642152973614,0.5948019691806203,8.394886370521423,0.5029811749925241,23.45378475726112,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.2872356209641844,3.975937815137516,4.68859640599229,5.405507560474458,6.111518517647649,6.7959677649540176,7.452075450193611,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_42,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426852593704679,0.5327680562311481,1.6290909428822258,3.5792877541994192,5.588101614234232,6.95290096906438,7.67660330020957,8.015946651993776,8.143380522509196,2.8625616597320387,0.4096275283773237,0.0205402740048078,12.628033317945338,3.609050622091962,7.997050574478999,0.4895653772697774,4.541897637943961,9.82237268570911,0.7251204584334592,9.405399239819571,0.5255068200583701,28.45071335730465,4.541897637943961,9.82237268570911,0.7251204584334592,9.405399239819571,0.5125609153430511,28.45071335730465,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,3.371167538872426,4.036755453265306,4.723195157916112,5.413437401930588,6.094190787218689,6.755917967096581,7.392385626452712,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_43,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1443658069415489,0.5427690562292531,1.547418861953002,3.294321390367472,5.08391320197891,6.292089079208284,6.930235427959405,7.228891519879623,7.340954703053103,2.65308939492242,0.4210556736713298,0.0204651626778056,11.274455538325814,3.2705904696256813,7.303036002077479,0.4622120542711754,3.284171037718427,7.112523690294684,0.5458115646026116,7.65066355453932,0.4380594281548031,21.78595433359068,3.284171037718427,7.112523690294684,0.5458115646026116,7.65066355453932,0.4380594281548031,21.78595433359068,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.1503539047315674,3.83941224136549,4.553968222629518,5.273994985184172,5.984019459569658,6.673098759937933,7.334221857897434,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_44,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1427127488502864,0.5250117998151179,1.4086224251565322,2.694342227385262,3.8561763647853313,4.600280531649839,4.985766878738797,5.164853990012714,5.231863345976429,2.2476467805419342,0.4092376118225734,0.0203472273001727,7.857778349635935,1.935121455187622,5.35257224778842,0.3133117125064459,1.998780269159892,4.37308701648551,0.3751850968336662,5.000261043829223,0.1859851632130277,16.269055432557177,1.998780269159892,4.37308701648551,0.3751850968336662,5.000261043829223,0.1859851632130277,16.269055432557177,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.663028214427504,4.310932797228488,4.977369110646283,5.646450897307374,6.305903405638551,6.946961307096807,7.56391367687618,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_45,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1424095564456455,0.5229204298438496,1.4167303657980477,2.7775026546403336,4.044765266403917,4.864696931938141,5.290607090401817,5.488616239405515,5.5627212867248295,2.298033905217873,0.4078214792013542,0.0202710152531246,7.964097937882227,2.0338996879559104,5.362010284092312,0.3205556037224479,1.831813861464317,3.996165998576867,0.3325748770288405,4.492412877695043,0.1915792739225453,14.121172084697248,1.831813861464317,3.996165998576867,0.3325748770288405,4.492412877695043,0.1915792739225453,14.121172084697248,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1864,3.5992483212664954,4.251448742300579,4.922369242955756,5.595772447236742,6.259190890058139,6.903774434222763,7.523795645560366,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_46,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422985160494461,0.5174148533742264,1.6505333258855432,3.743463312083158,5.764830819125789,7.058123548624563,7.722032454812622,8.028706133051369,8.14315073240863,2.9850465340092263,0.4000924109713265,0.0204843683854877,12.897276200174916,4.121745072055364,7.989216941539794,0.7075011454999134,4.543487516925355,9.829358040286582,0.7343293288753278,9.802251979220843,0.5563209824670828,28.949559794663514,4.543487516925355,9.829358040286582,0.7343293288753278,9.802251979220843,0.5478161087087462,28.949559794663514,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,2.756442351738935,3.3401163925728654,3.959074387506696,4.597214044264118,5.240746448681299,5.878770245229038,6.503265098460496,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_47,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402975605193133,0.4879700920976255,1.336524721746751,2.915387775189621,4.585146287081842,5.7204194566283695,6.320689506114332,6.601632460935367,6.707043881433572,2.326057083972379,0.3862889516355945,0.0199420731316399,9.056861800946008,2.203047435241671,6.063383951925109,0.2981755024839361,5.352165898342044,11.536358848845856,0.7938486583067881,9.238571207118628,0.5377409891658942,29.8647411430554,5.352165898342044,11.536358848845856,0.7938486583067881,9.238571207118628,0.5037090202265352,29.8647411430554,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM1864,3.201008610776374,3.799649409525662,4.426676864763438,5.066858745257549,5.707460372789537,6.338651316568068,6.953400420299854,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_48,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1556080935571378,0.8195030773263147,2.1856404858682468,4.309462186658461,6.413616050932912,7.809820753966404,8.540767400193744,8.881445781313404,9.009054660205472,3.541614891389963,0.6226389705065082,0.0094341423234414,13.821698775156117,6.289345939843566,7.864929740258868,1.6693119483697738,2.07878538035881,4.378522687233057,0.2256981638533714,3.884370691185784,0.501875437034599,14.90789017886148,-0.1781962581749044,-0.5880827714055851,-0.2256981638533714,-1.983781569001876,0.3438867223372391,-14.90789017886148,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,6.818509466456035,7.617475314277389,8.408859141229582,9.186259136427523,9.94466764324661,10.680096174999132,11.389412688134808,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_49,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1032502913393544,0.7383126219403147,2.2460620272068006,4.404320462416466,6.437600091732649,7.777312542559529,8.479935715906931,8.807993018581245,8.9309847054368,3.6452827481919967,0.5314175018114115,0.0037863833728966,14.467469388449652,6.398743170772592,8.733226652119557,1.8291663424978195,0.8589691797738112,1.8680856854742875,0.1503385047597859,2.061677217852099,0.1003565885747473,7.3016159940647745,-0.644415867824048,-1.440191287787277,-0.1503385047597859,-1.847123905902335,-0.0048803647571026,-7.3016159940647745,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,7.747252857061581,8.543479979888014,9.32328523770416,10.084541421705662,10.82452671758748,11.540349921965364,12.22934589853264,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_50,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.218812270627367,0.9022836655367176,2.1941312413969154,4.211622084900218,6.25281984002752,7.629166618776202,8.35587239088279,8.695911325917873,8.823491498402193,3.477527402821053,0.7101886424577333,0.0235480238131807,13.596868214220322,6.08325584427925,8.055374402737055,1.748410241608313,1.771672290834897,3.8915126171018257,0.3474049561839835,4.550911940306764,0.1370098765765599,15.806460577854152,-1.702377271004938,-3.753314094303947,-0.3474049561839835,-4.481616920476806,-0.1061735927522282,-15.806460577854152,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.213551434348703,10.002430803500486,10.765931905462628,11.50074467790204,12.20413267804263,12.874139230004682,13.509615852236308,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_51,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003019837138368,0.7275216677877205,2.2326614671720866,4.50135526675214,6.776311694993964,8.323835483026073,9.146043492889843,9.531945813730315,9.676921730865688,3.68398754538042,0.5223947941059236,0.0036624724247024,14.997422984155534,6.59231794215208,8.92737162199087,1.8183913935182168,0.2805250414226258,0.6119160155883644,0.0508733176469196,0.6875115825979825,0.0294461728450942,2.4200915600515205,-0.2282081350465702,-0.5075777933572779,-0.0508733176469196,-0.635194676221927,-0.0061651495077494,-2.4200915600515205,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,7.796616969392288,8.604471004700414,9.394564736773813,10.164470044595454,10.911305419365132,11.63216691257598,12.324488823277015,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_52,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2164398764861949,0.9008527470041098,2.3206432216782087,4.860212685368251,7.575965362056845,9.425174782118525,10.40141313642326,10.857764933331362,11.028888410011408,3.907978502415831,0.7060154967199095,0.023457884676051,18.980787231282694,7.832841962376815,11.061581335126276,1.9220869979105824,1.4404711810494817,3.1593878588363644,0.2779644803739348,3.66418702404096,0.1198262748658915,12.761645512726105,-1.339173622689866,-2.957365073321865,-0.2779644803739348,-3.562889465681345,-0.0747488613958626,-12.761645512726105,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.107864087181666,9.942858251672098,10.74632203107562,11.515538868572587,12.248265750131452,12.943018513139975,13.599122803022953,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_53,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1058314320946079,0.7434097021826074,2.405085024006487,5.13293562800493,7.816637223502435,9.581677568713197,10.501252011605004,10.928878872075918,11.088904177701563,4.146664550869359,0.5349555489450892,0.0039401777581558,21.13812838722337,8.521183028914814,12.489513636315191,2.062755199487116,1.5620747424925847,3.3140693047504506,0.1695481877316866,1.8416991878273408,0.2156571489304528,7.9710542975404435,0.4999817219514462,0.9768783842126072,-0.042870416376541,-1.17309820828991,0.1007737506589266,-4.930787785016953,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,7.386979373078411,8.271706431899704,9.131360403941134,9.962771197309957,10.763176915468575,11.530207387115867,12.262007510209887,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_54,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2181257393257369,0.905709233957686,2.242727003929799,4.382787404368498,6.580709040662154,8.068496024699508,8.854286920724833,9.221898188732968,9.359803114687466,3.598547902377781,0.7106691387948615,0.0236451886634469,15.287244191077876,6.422080006469964,9.24063356164844,1.8199160483028165,1.68767881212047,3.675898983480885,0.3007387476089099,4.093037094812525,0.1870442969749084,14.451513918242872,-1.3193841356279083,-2.941299400312704,-0.3006738419407658,-3.725456380669548,-0.0234708791812839,-14.449956182207414,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,9.362494290433172,10.151937824615285,10.91821909099682,11.65688939630768,12.364366683717982,13.038143060162572,13.676755187205687,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_55,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1566467593866859,0.7727475857540772,1.900724007898769,3.716236858236895,5.678831241289239,7.049487222258288,7.784189762508653,8.130153610257372,8.260287550700422,3.039055189791364,0.5976380729629216,0.0101758308615203,10.225870261759605,4.823410732161344,5.842446320803054,1.3037250086551615,1.5211856435410984,3.1156459027935925,0.0794069064290386,2.156440894973408,0.5280396618213413,9.194066346286268,0.7271165792507119,1.3682556352312538,-0.0794069064290386,0.0918613278184025,0.4724548273210143,-9.194066346286268,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,6.3539168955832,7.1480395981010245,7.933760942950495,8.704676053949798,9.455941699001132,10.183786810791071,10.885291052627029,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_56,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3146824726839104,1.1967567155886276,2.732449169484851,4.750986975818469,6.541890965983791,7.678410421768231,8.264029756757251,8.535369392351157,8.636780099313583,4.056377697594963,0.9522136763484522,0.0389473953134978,14.58973793235635,8.970366804178461,7.371004675657789,2.292205047287852,2.8812694038891604,6.285635103490293,0.5227836440503003,7.063538556291563,0.3123174519084917,24.862019900451813,-2.346567036613842,-5.21849083133147,-0.5227836440503003,-6.5288361890162445,-0.0536310989267181,-24.862019900451813,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.19278613833581,10.118793173385876,11.009934134021709,11.857246949509202,12.6551550773029,13.400984488160423,14.094307116246473,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_57,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1558155866190932,0.8125024358314212,2.086183167157184,3.912175474886414,5.675541421955711,6.83835022144639,7.445932272563518,7.7289078287433615,7.834873056738069,3.261406672486304,0.6181171368388373,0.0100075648431849,11.610340398251733,5.481058698123097,6.680049745763128,1.491934925619405,2.3191563605108225,4.826476464584768,0.1932622862713692,3.774777406320841,0.6560832701221979,15.189595794898691,0.4397554062447389,0.6907569358726298,-0.1826179045818475,-1.1329538381500188,0.5211190011829254,-14.93413063435017,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,7.167966093722432,7.894014419618904,8.614805758943259,9.328046158812423,10.030601082220356,10.718908455450949,11.38941993450524,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_58,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3173052951029118,1.2062868846144523,2.829264505296321,5.201993587229362,7.441561491766699,8.888053130789068,9.636065525064456,9.982855120199345,10.112473722988222,4.360182878628828,0.9590850511927652,0.0393999862731298,18.532428495386554,10.377541700760228,9.369230239457174,2.445318638403432,2.882815264837745,6.285534610866385,0.5196858071527377,7.040301722059647,0.319097997296439,24.807792467243484,-2.3140428066896312,-5.150421812149327,-0.5196858071527377,-6.471529263911532,-0.0446820677104769,-24.807792467243484,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.146129479395968,10.06369250613043,10.947951891878564,11.790428744733076,12.585523651751696,13.330314596238544,14.024052100103246,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_59,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.154563551577913,0.8224493711113244,2.2224415465314715,4.422006384746565,6.6416146920248025,8.134198383519387,8.921129956900426,9.289108513813362,9.427134223894388,3.6220398285376527,0.6221114849497066,0.0096965396406357,14.938239399187074,7.012696457321147,8.160266474001878,1.679272366313416,2.37666508881622,4.941838562969824,0.1889714056365641,3.565113277505756,0.6525090595779965,14.692784387603457,0.6771410656287998,1.2019475746967003,-0.1509333990009198,-0.929725196052824,0.521370215831471,-13.779872228347992,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,7.105000140050967,7.86078794297305,8.60909759043076,9.347551691574786,10.072908776176511,10.781546754454602,11.469928105302706,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_60,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1562367754568086,0.7897123037895585,1.9912977670423773,3.9305842605507313,6.024733201977299,7.489234669418386,8.27504887943697,8.645273272039265,8.784564082940355,3.2080745247202738,0.6073814558513722,0.0096038886554813,11.581005799100764,5.340035860057364,6.565128345138453,1.4139368319568948,1.4052018516238558,2.867620286104985,0.0597062015157818,1.7186301359272018,0.487283485241004,7.727469304966189,0.9047406175383363,1.7663293165156273,-0.040386045301322,0.3787906148759318,0.4460687488663905,-7.263785555819153,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,6.843388303256656,7.6034318912595,8.361325475170005,9.111558993082134,9.849247615066384,10.569970975258542,11.269842759585902,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_61,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1586288963601535,0.7895830608366647,2.0030876499678185,3.963969008174328,6.00742777044058,7.399304600159004,8.136413964337661,8.481654844298026,8.611230309493552,3.240746238044102,0.608556841477936,0.0100622597397679,11.689360153890714,5.315038985616169,6.753391154923225,1.413116302257741,1.883998948268512,3.91209110649486,0.1500837082235428,3.0846686140568544,0.5569725790603446,12.42166890581341,0.3831618660330826,0.609421063507523,-0.1500837082235428,-0.8175077997552602,0.4519139833038648,-12.42166890581341,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,6.630005294513144,7.438822590637172,8.238199912247874,9.022521532387708,9.78743396387569,10.529357926270702,11.245346233277395,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_62,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186243826780138,0.9047894137775804,2.2077506673249663,4.2176168885099,6.236350843873555,7.59554428776153,8.313223666363855,8.649098214767154,8.77512867626306,3.489012626794057,0.7111008545216216,0.0236040310099861,13.60491898181113,6.126793915897275,8.176696247459013,1.7675829076848837,1.8795800758164791,4.126187930209725,0.3662887906083646,4.809890400683396,0.1496216513476494,16.723676191249687,-1.783307830267167,-3.934187377298455,-0.3662887906083646,-4.713618155134084,-0.1067805020782055,-16.723676191249687,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.28946701051002,10.105624673933798,10.88983043495628,11.640204434897695,12.35513667893004,13.033555019349013,13.675005390066492,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_63,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1012378864612427,0.7331822442779361,2.238254689306763,4.3674373795766686,6.3499020653385525,7.648843350277644,8.32862438522766,8.645755029925484,8.764612648056248,3.622192860809378,0.5265222332536728,0.0036630570750302,13.963328965577492,6.298474292039922,8.342944077404622,1.821546272661237,0.9380063855701544,2.0331342440223845,0.1575360170711703,2.1982945221395176,0.1220328095702741,7.840752269274179,-0.6373537851415493,-1.4335277303575964,-0.1575360170711703,-1.8976419217109124,0.011757597620455,-7.840752269274179,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,7.875623671497341,8.674643814217166,9.457008527311958,10.22064234756544,10.962760843421558,11.68038874720428,12.370795378576329,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_64,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217882762345278,0.9042292986833816,2.263348576075273,4.444241490976409,6.636427634388606,8.099993274862852,8.868336231580232,9.226885239866345,9.361256355248605,3.650325565742893,0.7093742018834505,0.0236205310860618,15.712268935348751,6.574589959954123,9.40491224969412,1.8392021893628,1.7055459419101748,3.716887230103831,0.305944346665186,4.153100715231663,0.1853222941528038,14.646616642854594,-1.3538975247416858,-3.015577209323854,-0.305944346665186,-3.8014522980631744,-0.0288387485128262,-14.646616642854594,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.400743993224612,10.190340866570834,10.954882813313644,11.691149516877172,12.396228812383288,13.06793731068544,13.704936828340909,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_65,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1103585544111704,0.7661513225652294,2.4574118034378074,5.1504183621555,7.75390719669814,9.456449334706972,10.341956483817624,10.753513855830583,10.907496096057884,4.184927026265709,0.5516307173141726,0.0042609952834703,21.047220387892345,8.646084886877256,12.390224187763136,2.1378683180830653,1.2225511383715653,2.604589167346948,0.156321857742589,2.2497505195054943,0.2244677566604796,8.569066404289256,-0.2092700974032761,-0.5462079166798509,-0.1300423894123792,-1.5255436301695136,0.1158308402905736,-7.938359164364219,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,7.260122635402959,8.120793560403774,8.958207777123187,9.769801156020652,10.553256574726818,11.306427348963812,12.027474311963475,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_66,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2199104326193514,0.9159257078823388,2.348755672343997,4.819024220874622,7.421522680726567,9.189871831853106,10.123739331594058,10.56046183077726,10.724259365390148,3.9004927249312575,0.717078403029211,0.0238389325933369,18.285777530566254,7.735493796376088,10.618023727303497,1.9631076077423488,1.496532738432301,3.283564385459284,0.2899625789922743,3.816233370370496,0.1222772329918596,13.281915272006993,-1.4030930514904418,-3.097212945806788,-0.2899625789922743,-3.7227936834286366,-0.0806965723027322,-13.281915272006993,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.117975412061469,9.920132789846628,10.694337487747386,11.43815004950673,12.149369268236212,12.826373867123673,13.468229616541484,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_67,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1044962484312123,0.739714099747545,2.243095215107988,4.514604674191434,6.802567331252701,8.361750278738809,9.19057727571117,9.579642177895566,9.725812590084844,3.694740517985853,0.5336058466123058,0.0038764366717728,15.28066878949442,6.584617524920145,9.196044188186054,1.8293566919951696,0.2472262743201162,0.5396459725014087,0.0451889431829805,0.6087378197839606,0.0252864236043631,2.139910235260192,-0.2046631575096892,-0.4547602204905335,-0.0451889431829805,-0.5661747029735336,-0.0063458366237231,-2.139910235260192,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,7.848475296730835,8.634824691331435,9.404520041396918,10.156025522735888,10.886992303945872,11.594744663548648,12.276716847860923,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_68,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3175483968390904,1.2222015838669742,2.8472995131691743,5.043456498393852,7.025612941930908,8.29369214387008,8.94918467446377,9.2532780296355,9.366984920020297,4.282186541250073,0.9694328722913808,0.0386314466701802,16.8349830598898,10.032140861837012,8.15646348949809,2.404463608516109,3.110949634309723,6.778681236549092,0.5496257341613094,7.173887754896351,0.3108407262560567,25.54505959666326,-2.1887972645364027,-4.883687401200548,-0.5103236456079158,-6.684058359210362,-0.0727182250002577,-24.60180947138182,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,9.016936685760184,9.896425115613695,10.74859385772766,11.56557454124378,12.341635424405762,13.073276172822162,13.75895569291119,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_69,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1580851886959112,0.8343990206062272,2.258330128509546,4.41138722964292,6.462989080957145,7.789164499608034,8.474323294494118,8.791749911172406,8.91035286052979,3.643429596544292,0.6311268940732363,0.0101050386462717,14.402508767061056,7.10621303356174,7.722910483363121,1.7025042048602304,2.299292537089739,4.789837677387632,0.1958885431560768,3.762953246248944,0.6398433261018043,15.103890640302003,0.4012586561698002,0.613115424661498,-0.1837182330279109,-1.1962754643992293,0.5030864551963954,-14.811803197226018,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,7.164674779552633,7.892647035902824,8.61252182319328,9.323374791975697,10.023060616196016,10.70866186110454,11.37700397744269,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_70,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3172132714988197,1.20817220636032,2.845685895448051,5.2682766848220135,7.566386641144817,9.052358156838311,9.820709396789788,10.176851630030397,10.309949515122543,4.406590870394145,0.9604974643062028,0.0391495080512606,19.169027530933946,10.507831716793596,9.870763901923896,2.4883089981654294,2.7752144349096493,6.04167757848044,0.4909717118431417,6.687988401733991,0.3230142606139664,23.650507227648703,-2.125679314156596,-4.742993962814783,-0.4892070379701073,-6.057864693584316,-0.0206129974600414,-23.60815505469588,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,9.122345030931752,10.031995548398088,10.913287825774026,11.7559026159986,12.55298808546014,13.300799758509172,13.99806170200187,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_71,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1573333302742117,0.8285639682919306,2.177344806491296,4.243156112857206,6.321384048374854,7.716214554838651,8.450457037209848,8.793501065347831,8.92212407631827,3.493284086462957,0.6289746796319123,0.0099349394455096,13.947284727411905,6.381833925451981,7.916356457520925,1.624278342548145,2.675228267619837,5.587862530814323,0.2308306708700166,3.858636526681539,0.6523314128962662,16.003043431804226,0.7570610341540415,1.366835788876699,-0.1528027758231425,-1.2846540704232772,0.4930907801386608,-14.130373950679248,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,7.318739867385895,8.02352638251005,8.72388539075091,9.41917299070198,10.106857093479055,10.783376218584069,11.44487965339048,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_72,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1014499810404891,0.7203222358040946,2.2020779728955566,4.215049235177446,5.873200517389872,6.855849496318488,7.343001408411221,7.564614776059441,7.6467990263900445,3.535622197982079,0.5194090715642066,0.0036508094153073,13.382710724970456,5.674581958680554,8.405192012021095,1.714818876520137,0.7416089144919225,1.6027309240975425,0.119982371739941,1.7014678884114507,0.1050533942905212,6.107692007258433,-0.4582148029074878,-1.037543556873165,-0.119982371739941,-1.4180737768270162,0.0210657340725626,-6.107692007258433,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,7.681563390827669,8.451600506302,9.215287234704077,9.967596615929189,10.703573254193046,11.418670418794292,12.10903333906298,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_73,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2310293545710643,0.952761437559832,2.278670092990857,4.229109690956852,6.097001929262885,7.311852798320712,7.941558363022209,8.233728797572383,8.342962399849819,3.533283895637198,0.7497840496108629,0.024704897652996,12.838585985615824,6.174162351302488,7.568022998208175,1.8777626957807056,1.8390918499595847,3.9379869362105615,0.261681448419803,3.932543437318009,0.3385953876729773,14.429088218193982,-0.7777226342384452,-1.8204494106203808,-0.261681448419803,-2.87117422159687,0.1554183737791154,-14.429088218193982,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.196498531284458,9.958024526778182,10.69816645540058,11.414020254028634,12.102833452146616,12.762322452021554,13.39083789604242,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_74,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.219850336039189,0.9247622147667904,2.2083084219778515,3.885842190700079,5.361389818025867,6.293064869229143,6.7717878841672725,6.993292704114154,7.076028694968249,3.310675683951078,0.7240358964890244,0.0236172952361293,10.870972584993671,5.2955549971499725,6.637704126988528,1.779871926663223,2.138899250812455,4.703421615064765,0.4245428213178787,5.535241821355485,0.1557923766405196,19.18535268041985,-2.1065289623663324,-4.63886393030224,-0.4245428213178787,-5.502871532909362,-0.1413875982819952,-19.18535268041985,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.851914916249754,10.57383315144454,11.278046005558174,11.960363675445135,12.617401369966004,13.24663850708172,13.846389276098632,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_75,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2284430556824631,0.9424283914068616,2.160863928302327,3.814778588286656,5.392958079656264,6.435123496177831,6.980882422187124,7.235386110237731,7.330743668759319,3.230221490014862,0.7433913915150693,0.0241096421876656,10.3306773020674,5.173982348381812,6.2314371392763,1.7097408528218254,2.0936839426872136,4.517921965990241,0.3316851815846939,4.747165395364765,0.3210338888343346,17.10212334512995,-1.2231678731597255,-2.780982931075374,-0.3316851815846939,-3.876649325837276,0.088854261725049,-17.10212334512995,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.016246685937825,9.747572036551944,10.46342844314251,11.159666117170993,11.83249846905568,12.47882257319534,13.096356673764433,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_76,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2176842074625305,0.9177449615448168,2.198182793623525,3.858587422254794,5.283020308537591,6.164476889136045,6.612675034039116,6.819073121447686,6.896014719362244,3.2934666387407217,0.7181582479753779,0.0233888900685575,10.476074227788224,5.237705696760019,6.311704496738288,1.7602400708762942,1.981356910728576,4.332322394084513,0.3693497048263128,4.936154549339078,0.1891731287248798,17.293778650169138,-1.7121401375345522,-3.795409922465011,-0.3693497048263128,-4.666937776145054,-0.0693716646535389,-17.293778650169138,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.392074690755818,10.123622750849288,10.837303306440756,11.52856880550756,12.193770456897251,12.830218086523136,13.43614278182076,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_77,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1553699551118185,0.818561462369044,2.1864144757427524,4.3162693480161,6.42673595528299,7.826973136053858,8.559964989366927,8.901580500202343,9.029537749874558,3.5461178528634085,0.6218240578944509,0.0094178382749766,13.871810514833705,6.311375210225246,7.887044577778028,1.6699437170763696,2.0901476575497924,4.4038392987779895,0.2282745249256177,3.916343856954734,0.5021009733741242,15.016228786261314,-0.1925975917063852,-0.6194603249631907,-0.2282745249256177,-2.0187937911113267,0.3423088059261919,-15.016228786261314,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,6.815879840989659,7.615480633691288,8.408059164618754,9.186993642122944,9.947089414316146,10.684214334747862,11.395136844190684,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_78,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1030572226330809,0.73762082745802,2.246030179869194,4.408767720503091,6.448174039667268,7.792399570939171,8.497483245348688,8.826706716346196,8.950138169109808,3.647819654913869,0.53082987810194,0.0037750510280133,14.512320146456206,6.41227682637018,8.756350172565336,1.8288274875102224,0.8634865634969117,1.8784783226236912,0.1516802889531871,2.0769288751224084,0.0998509789688998,7.3510385965483005,-0.6533163260349595,-1.4593253095414465,-0.1516802889531871,-1.8667586376604564,-0.006325223298331,-7.3510385965483005,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,7.775439480968194,8.573076111995741,9.354325776309844,10.116980503198088,10.85826713720346,11.575265209779458,12.265296547828047,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_79,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2188967822303652,0.9023268138350724,2.194330647672533,4.213838472989127,6.257429360585933,7.635162789398111,8.362503367681178,8.702815758059302,8.830494670276309,3.478883413048003,0.7102641460814526,0.0235722861672096,13.621273420007764,6.091297839258678,8.070857361793095,1.7487879902634351,1.773160000218602,3.894813108220786,0.3477284039774765,4.554987232038414,0.137065442639509,15.82036808064254,-1.7041240395561643,-3.757131240073654,-0.3477284039774765,-4.485951271375977,-0.1063444401447243,-15.82036808064254,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.287936893252796,10.076712785399174,10.840038045821617,11.574630370016491,12.277774789734485,12.947529574102624,13.582755867240094,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_80,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003803604974644,0.7278530166032247,2.2333118753796666,4.501604997322306,6.77560860340092,8.322468612725226,9.144350994237994,9.530109163800352,9.675032476507312,3.6844899969696416,0.5226613535402785,0.0036656423224415,14.992890205157126,6.59380035559065,8.92366610899948,1.8194462346156888,0.2779043828462451,0.6055549726368328,0.0497729088053693,0.6760876532891998,0.0303432463565115,2.3849800903386127,-0.2198247052074483,-0.4897237675378984,-0.0497729088053693,-0.6180079756504031,-0.0044977898072469,-2.3849800903386127,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,7.84728658871041,8.655650589224816,9.446316694910628,10.216839570836404,10.964318515642017,11.685830389356052,12.37879260975258,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_81,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216417024950579,0.9007909959086692,2.318981813027482,4.854990450063751,7.568316135929052,9.416756341582726,10.392857486180633,10.84920575769139,11.020337624134326,3.903978013349412,0.706006899126091,0.0234401646104069,18.936929091590148,7.812944258355698,11.039780635912235,1.9196854507713552,1.4406818880904717,3.1607492008314213,0.278877292478432,3.671700227917929,0.1182085168031996,12.780955290021,-1.3480910366938492,-2.976090636348567,-0.278877292478432,-3.5791093765213056,-0.0770055879317026,-12.780955290021,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.08058143827287,9.91367601033538,10.715515512924096,11.48336318238098,12.214945400685504,12.908745530475228,13.56405874672672,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_82,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.105760563422579,0.7431842333511398,2.404325389256836,5.1312779907461135,7.814869693126202,9.580249064197885,10.500108210098285,10.927889848209947,11.087976519240351,4.145256088251083,0.5347699788779248,0.0039344842468852,21.123091387734704,8.513461845264368,12.483480353477086,2.0614270875164835,1.523354146152703,3.2316310780591144,0.1659941834222762,1.845383360915532,0.2163551468409406,7.918881641362897,0.4551324605272236,0.8809537113125953,-0.0476501537028196,-1.1686810811496278,0.103709539336931,-5.078624928095938,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,7.350346989287066,8.236373124520371,9.0974126570293,9.930204555797674,10.731923076640337,11.500157537711829,12.233030937526774,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_83,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2180305973841208,0.9055550100750268,2.244063371937987,4.387208472302602,6.5881915724541935,8.078136813887618,8.865123931883595,9.23331063891852,9.371434181570477,3.601858998484744,0.710456916063975,0.0236502113489959,15.31699900392345,6.435191786756164,9.25401777755465,1.822097850710222,1.6870702753790865,3.674695843378951,0.3007606518624156,4.093155490278412,0.1868200503016642,14.450564414143749,-1.3205362432450696,-2.943698696392473,-0.3007606518624156,-3.7266214581443946,-0.0237124060020264,-14.450564414143749,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.379330328126043,10.169499509421971,10.936641684415624,11.67624033158773,12.38465733692328,13.05934265305386,13.698804317470309,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_84,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1567416516497108,0.7732964406888096,1.903376125414155,3.7215542539872057,5.685704816001506,7.057312112270001,7.792556250231292,8.13878829909932,8.269025605715559,3.0436032011171315,0.5980181672769714,0.0101797651857871,10.24731072994453,4.8410388843995005,5.846444279460688,1.306450749292321,1.5250237861423028,3.124393597790235,0.0804671243706015,2.1687607811071152,0.5277597266384467,9.234461418123544,0.720352542436287,1.3536726831104748,-0.0804671243706015,0.0766155474714744,0.4714327395790257,-9.234461418123544,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,6.982141879450449,7.777585427339738,8.564855133909122,9.33737281331694,10.090197040397667,10.819505805223766,11.522356484746211,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_85,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3148272982478408,1.1974935564319624,2.7349120722487026,4.756003882535742,6.549135242646651,7.68699058050347,8.273267223965423,8.544903703710439,8.64642407085755,4.0605108560110015,0.9527499395737344,0.0389613443424763,14.617241163468591,8.986455211866087,7.381844964823666,2.294771181166445,2.8822945289024284,6.287966629235233,0.5230625794435929,7.066795164451171,0.3122365149012973,24.872724233384,-2.3483312655335005,-5.222297423962338,-0.5230625794435929,-6.532831901082244,-0.0539072907092173,-24.872724233384,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.223817584593393,10.15042954297597,11.041784031698771,11.88908378714264,12.686852941181474,13.432478776232834,14.125570141889964,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_86,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1559297228667134,0.8131586949754785,2.087773381981648,3.913735906398181,5.676375969152315,6.838703436711785,7.446066273785635,7.728949265035315,7.834881482346548,3.263129237015135,0.6186094084327701,0.0100122381966051,11.616491217830813,5.484622929870561,6.683377943652365,1.4930677404621513,2.3194966903997982,4.828298794948346,0.1945844312064819,3.7957040862423534,0.6553388976062821,15.24776791470073,0.4209865276345675,0.6505284592549904,-0.1851176013465643,-1.1593559966670814,0.5194138006575423,-15.020563998062704,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,7.223203934791214,7.957032524642939,8.683847481861493,9.401750355869329,10.107911652275416,10.799005346919536,11.47166596457394,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_87,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3170716269745188,1.2055105324989457,2.827382916299471,5.19932352560178,7.43941551256233,8.88689357760897,9.635602871570043,9.982756734874767,10.112518022937698,4.357640504873637,0.958467145810673,0.0393615896555474,18.509510274145818,10.362628304916326,9.355702908300785,2.440650154320108,2.880194275623188,6.27969542650673,0.5190917637140466,7.032928385335558,0.319057766892295,24.782806652396868,-2.310723361517278,-5.1431887617379966,-0.5190917637140466,-6.46345747122965,-0.0443064677075372,-24.782806652396868,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.163706760713982,10.081916253935349,10.96659759202044,11.809286688321528,12.60440607423542,13.34906324936839,14.04254120791908,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_88,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1543006889958129,0.8214955359252502,2.22020070440419,4.4192101780329285,6.639716552431077,8.133399213319603,8.921016674526383,9.289335880363913,9.427492286643346,3.619238698909806,0.6213607209174977,0.0096682000208421,14.91701686490702,6.99843204542356,8.151038780478252,1.6761720764226262,2.384659803533011,4.959156539168434,0.1900508840004879,3.569825740123449,0.6521395811259492,14.718593291434416,0.6813516314184059,1.2109383344052946,-0.1506107504224331,-0.9376557745306342,0.5202871663329494,-13.772030085561104,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,7.129055966765715,7.889665102743754,8.641656790742617,9.382914854480957,10.110391096755391,10.820609167380004,11.510143460148624,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_89,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1564060343562541,0.7906129303415683,1.9947336660651345,3.937966911988182,6.035289038564296,7.5016931955811454,8.288473488459381,8.659144182711259,8.79860170828573,3.214135564941458,0.6080338050640239,0.0096128488411652,11.620749438425824,5.364412619353503,6.582097500052016,1.4183571524295946,1.4176727882022822,2.8945827203331675,0.0613888384203903,1.7283053324029591,0.4870961398565716,7.77470621993188,0.9099480293880524,1.777307986874997,-0.0401561133424555,0.3657555093300923,0.4447609347146364,-7.265120818061445,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,6.896533595516076,7.654709341441353,8.411088279913638,9.160130907358653,9.896920911931392,10.617003399960025,11.316456050407034,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_90,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1590221254796552,0.7914509195903628,2.0115514564758703,3.983494461843966,6.036590468119358,7.434315724489394,8.174358500881484,8.520941161503057,8.651015379582455,3.256430406930934,0.6098451260035374,0.0101075890510938,11.789394330900222,5.371241777312649,6.801389602195742,1.4246994290556168,1.8911546403733348,3.929102852403318,0.1527420639710159,3.1130911521414624,0.5551724450204794,12.510614481286993,0.363734000663176,0.5679343088478475,-0.1527420639710159,-0.858202511104951,0.4482530002407682,-12.510614481286993,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,6.682995930979437,7.489221665886863,8.286333209135009,9.068668698278712,9.831848954408054,10.572277970112102,11.286994264283962,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_91,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2189795034725836,0.9058086583143564,2.2101625955576787,4.222510902665292,6.244355281557009,7.60596986833117,8.325015300537082,8.661547508165883,8.787827580260942,3.492943708904617,0.7119420647165303,0.0236553269611894,13.639215388786331,6.141211156446862,8.195203228280464,1.770927788625968,1.8791258839598104,4.124997209952247,0.3660124569858673,4.807225539846749,0.1499376615136144,16.7158785595164,-1.7809986858988622,-3.929297232499395,-0.3660124569858673,-4.7090983417858014,-0.1062710583764924,-16.7158785595164,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.278209230906436,10.09391513457054,10.877672588764185,11.627657895515712,12.342290121280936,13.020508820302105,13.661860699297751,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_92,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1014329846157114,0.7339886568609885,2.24037519919762,4.373750155134718,6.363254539123988,7.668073488732544,8.351238726975206,8.670010649668379,8.789492959342878,3.6266170609603208,0.5271585203783693,0.0036756427795625,14.016676007312553,6.314410273151893,8.375757224666778,1.8249806842913925,0.9419935564589637,2.043638866445238,0.1600120436477858,2.222089905641249,0.1191645507846404,7.910208655250534,-0.6581268800188942,-1.477509360286985,-0.1600120436477858,-1.9382232292011805,0.0071561202311905,-7.910208655250534,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,7.870310044817287,8.667389779837515,9.4481810548882,10.210565331348503,10.951715312450622,11.668616461148636,12.358502808823587,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_93,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179131778106044,0.9042877886646588,2.263333078774294,4.445010958816367,6.640237983669041,8.106846689925563,8.877041423902288,9.236506574615936,9.371229003531358,3.650547371393203,0.7094195632220778,0.0236323918739135,15.7297296215902,6.577180507761601,9.41687872982758,1.8394862902571327,1.704491910546891,3.714547760895756,0.305714124107976,4.1502049034107,0.1852849174909112,14.636742034893976,-1.3526493305328695,-3.012850511444793,-0.305714124107976,-3.7983623233966783,-0.0287149693846717,-14.636742034893976,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.404015040274931,10.192142665330488,10.955628399830871,11.691147818950276,12.395705761133884,13.067055038582918,13.703809741226118,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_94,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1104266413116215,0.766469694018705,2.458597945141715,5.154063572270118,7.759996254355151,9.463910002499276,10.350046790551152,10.761877232715303,10.915958479091245,4.187624267030991,0.5518725379769673,0.0042657183446017,21.07280804200872,8.660445454940248,12.402225881099604,2.1396067240810326,1.2188334716306042,2.5963918475689955,0.1557259973162777,2.2490050904264662,0.225184883944058,8.561778225275496,-0.2115815840413727,-0.5513108640200852,-0.1303570138181176,-1.520812021316995,0.1169377553276085,-7.952922621319654,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,7.271213497327286,8.131569413764348,8.96882501653657,9.780347163145228,10.563784178297762,11.31697266400692,12.038065268548715,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_95,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2199592693060359,0.9161577322029822,2.350283272542745,4.8246139103926655,7.430961055261242,9.201436688922866,10.136287719847743,10.57344083832174,10.737395354359087,3.9045420299741487,0.7172479541020648,0.0238410857763951,18.331178390904544,7.754202244516506,10.641440571088554,1.965813248933365,1.4971570619190175,3.2852780311355825,0.2904170131205222,3.820493166883196,0.1217029929529835,13.294125572005534,-1.4070130692862048,-3.105499359428332,-0.2904170131205222,-3.730349174250384,-0.0815889162313818,-13.294125572005534,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.153566354282416,9.95434254555624,10.727397585953822,11.470256379953828,12.18068915590347,12.857050950442073,13.498387335435185,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_96,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1048659973199332,0.7411418311346702,2.246573163079597,4.522076698750694,6.813801127878748,8.375143868958013,9.2049918750834,9.594508069288896,9.7408436192106,3.7007363690864863,0.5347548847389846,0.0039007479804146,15.329025532898566,6.610003697380354,9.21944678626624,1.8349759996469497,0.2459858361055311,0.5362171582671865,0.0442627191105036,0.6000875889895602,0.026471098734767,2.115183562737729,-0.1966413549995051,-0.4378069923733835,-0.0442627191105036,-0.5507431078835341,-0.0045128046425854,-2.115183562737729,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,7.867254048185813,8.652736926657077,9.42152045810457,10.172112894814392,10.902208223111964,11.609163365482138,12.290433133049971,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_97,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3176412980642806,1.2225617044305193,2.8482280664228985,5.044974061588485,7.027957108425055,8.29686036632184,8.952877342893965,9.257236661130804,9.37104665128575,4.283493332982954,0.9697088243717652,0.0386441695704479,16.851110478884355,10.040981447566756,8.162447036080536,2.4065332632811094,3.1137758178341253,6.784897653514735,0.5501558956809245,7.179412894498009,0.3108490465625042,25.56516673643858,-2.190365439690701,-4.887140999014037,-0.5106723558240408,-6.690321454780307,-0.073075574218436,-24.61756177987337,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,8.973662821953296,9.850626929445468,10.70088203706335,11.516430943230562,12.291438124433562,13.022320385505008,13.70747094072065,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_98,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1582548836351065,0.8350733322566075,2.2613711796537803,4.416952524897072,6.469746960203775,7.796367723126995,8.4816914524738,8.799182288524078,8.917807426060104,3.648295589235611,0.6315908318363558,0.0101284916607747,14.43513332722083,7.125666011146889,7.737610045361891,1.7066650666811256,2.2923031898025,4.774670729229346,0.1948636830406547,3.755606131502747,0.6399192776576139,15.071970041950625,0.3999054903518291,0.6103511869077737,-0.1836158568494794,-1.1871235394513473,0.5038521343148911,-14.802022213362417,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,7.066391983189022,7.789812137334341,8.505745179850237,9.213151551185147,9.909835644472343,10.592848933156198,11.258987293649753,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_99,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3171305585149696,1.208371585497595,2.8471498243631235,5.272571122853505,7.573952966126772,9.06215515088815,9.831671663107691,10.18835479866064,10.321654838411805,4.409774899602532,0.9605734570960368,0.0391150014009164,19.20187848116659,10.521914156579651,9.887371036132896,2.491236074199164,2.7722144548033034,6.035329077014027,0.4907013530958715,6.686790854624815,0.3228196814574734,23.64199606109756,-2.128308237952199,-4.748525935574478,-0.4894031854552289,-6.057164481820776,-0.0206323206804169,-23.61084003772214,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,9.080090709982736,9.99005004540575,10.872205457375362,11.716145994297904,12.51489945983448,13.264605197592148,13.963889193816414,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_100,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1573415828954158,0.8286701390501743,2.1776721824987915,4.245017373904058,6.32568414800747,7.722460640767021,8.457808172451143,8.801385891985563,8.930211754897405,3.494450115848525,0.6290611219525973,0.009930429217003,13.959232611696372,6.388027905748489,7.921168461839296,1.6246566308856092,2.6812565869241034,5.601431954993861,0.2321912047396332,3.86897158102836,0.6514183465123794,16.040663097974754,0.753353153535306,1.3589801988432764,-0.1533894819381263,-1.3011807913855271,0.4912485548786816,-14.149421750738588,22.0,46.6827,2.0,2.0,0.8900000000000001,48.0,-5.0,-11.00276,-1.0,-13.0,-0.6399999999999999,-45.0,RSM1864,7.3283118842205,8.038754477746746,8.743915684705598,9.443254284609017,10.134334395240629,10.81368427623283,11.477535612718372,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_101,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1014812921783561,0.7204090878301829,2.202141548125822,4.215141241743293,5.873424155586725,6.856161638145483,7.343350251826185,7.564977493812946,7.647166349338269,3.535685936272256,0.5194880980570747,0.0036532300849935,13.383299530062793,5.67490722569855,8.405334100633905,1.714870920730002,0.726342480560346,1.5691732272147032,0.1169648609268607,1.662061367975232,0.1039176490198833,5.971009621338946,-0.4433061287082612,-1.0046993592085491,-0.1169648609268607,-1.379025016123147,0.0220422463710809,-5.971009621338946,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,7.772524653463535,8.541803241605463,9.304891955109394,10.056733413226466,10.792344567987612,11.507155299386314,12.197291967003084,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_102,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2310122269131423,0.9526061112813952,2.2782663222794994,4.23233539804953,6.1063600002698415,7.325739427017194,7.957865833532095,8.251169061086006,8.36082729036347,3.534739298273015,0.7497016401894091,0.0247036071968405,12.873985565021572,6.181504856856731,7.592459945679491,1.877292308103161,1.8597538386638213,3.9855196810925486,0.2678160756054178,4.0022824435071644,0.3363051576292773,14.655090705427469,-0.8184069173903579,-1.9079123269639875,-0.2678160756054178,-2.9609355222337013,0.1488339047054849,-14.655090705427469,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.172571597193608,9.932723562496784,10.671912381219531,11.387203726691704,12.07578506836297,12.735305373261731,13.364051889758624,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_103,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2198530281141664,0.924751625495381,2.208011226164846,3.88477086486803,5.359622957085976,6.290986355309308,6.769603716582266,6.9910733645603385,7.073798508814816,3.309895928174869,0.7240366449478269,0.0236177904515002,10.86700459000174,5.29352072731079,6.635685346337212,1.779462292145564,2.135813549994419,4.695956445797352,0.4232710568917675,5.521982005128559,0.1568037980754523,19.144488887807444,-2.096897018923256,-4.618343262055576,-0.4232710568917675,-5.483065474057396,-0.1394859417487846,-19.144488887807444,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.85756268057311,10.579029188871864,11.282882666976334,11.96491972843031,12.621737090324345,13.25079728222328,13.850401194863784,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_104,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2284567752995327,0.9423898719217624,2.160323989185261,3.8149405326753976,5.394507875675482,6.437382742427138,6.9833966302901365,7.237989451267647,7.333375455006514,3.229944633500404,0.743391075306932,0.0241124686465425,10.332954533373451,5.174537614579155,6.231129350114543,1.708980463253437,2.064642128429957,4.450370991315594,0.3223511115542993,4.643451020864353,0.3253958572881911,16.770232873235773,-1.158868987113035,-2.64313284101477,-0.3223511115542993,-3.7376778795474297,0.0997500792001819,-16.770232873235773,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.421695927639242,10.153603940577112,10.870009111059906,11.566775838216524,12.240121396356567,12.886942702721678,13.504956672197588,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_105,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2176969500361389,0.9178197909180726,2.198525233036137,3.8588245980136753,5.282719012422771,6.163663766912354,6.611551605214308,6.81779558824103,6.894677938981647,3.293808955810674,0.7182021976824817,0.0233922413429222,10.47451039660055,5.239461448318389,6.309506580782074,1.7610161456243696,1.988739811640985,4.346010977167937,0.3683453446831154,4.935502569105909,0.1943416948993966,17.31060595186723,-1.6947136351901704,-3.759619872163255,-0.3683453446831154,-4.641476392655094,-0.063500046378784,-17.31060595186723,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1864,9.718151323457503,10.448566835229162,11.16138494445378,11.85197875897546,12.516642894341338,13.152648581355296,13.758201164057688,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_106,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0785651447321139,0.7438121182768139,2.720286550523465,5.613178107526974,8.115014808979062,9.648361516406812,10.42223563039662,10.77722679797155,10.909335642800157,4.618981607861705,0.506135657546308,0.0020647481415503,22.59040572486783,10.799239371845928,12.201040231955432,2.406726973060361,5.4941952323615135,11.645106165893,0.534506899561064,3.9409360782702088,0.663884151051786,19.70008786861361,2.2070753947133714,4.735919109907037,0.194157394261413,-3.8906405363313343,-0.6437659342762362,5.834629946933204,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM1864,8.502098114090217,9.545612164574203,10.54793143323573,11.500770484798156,12.398795272176104,13.23927271541248,14.021581935362295,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_107,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.083255323614587,0.7646382365953522,2.76912959507335,5.695500696382867,8.249562690338324,9.830565269992778,10.633027345657352,11.002113620894368,11.13962180442955,4.688016924221252,0.5223031685562032,0.0023238299567074,23.48233481964118,11.16031898445322,12.56939542442194,2.4098968036273587,5.5794057379628565,11.826954837174108,0.5430686640304441,3.958955313212378,0.6649078114041554,19.906465921882152,2.338141894611508,5.009129783573262,0.2025563030938096,-3.8704698354426808,-0.6295136202962767,5.843544095568284,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM1864,8.25334722605461,9.263503913877468,10.24086871665254,11.176504950804636,12.064055577333274,12.899641176820642,13.681524490089078,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_108,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0993211193269915,0.6426239357689856,2.053587342383746,4.216024914810501,6.2037671614882495,7.46457592142586,8.111043747618218,8.409639763596797,8.52107448686107,3.4548893320953,0.4641517417345429,0.0049234103975917,13.653107193478656,5.642289904677923,8.175758297878609,1.4515214722567882,4.729918036229259,10.01884604465264,0.4666115641985261,3.992857861060256,0.6285826639277888,18.25831227342784,1.5002331399929327,3.1893928064597263,0.0921325218961254,-3.6295195888319047,-0.4832473550364484,1.46245922019005,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM1864,10.041456509190033,10.83560584847247,11.601654818401322,12.337921402542008,13.042250985739676,13.712717576767572,14.347974141916628,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_109,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0785282948410816,0.7434740723395665,2.718962729793849,5.6116074558213365,8.11406704224536,9.647986207202605,10.42218114954387,10.777324823009623,10.909491172280378,4.617342226385614,0.5059201261094293,0.0020628844274612,22.581327358267625,10.789492494761156,12.197808538219498,2.402116533215566,5.515348357109168,11.690222619866155,0.5365664480974985,3.943828368699799,0.6645721112677433,19.74829022684477,2.230798196405224,4.786392771563084,0.1964399985511709,-3.894249504996438,-0.6447405657863989,5.895337926474856,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM1864,8.437230985757203,9.482546765995671,10.486688729096814,11.441293168121272,12.34098145062542,13.182998590599068,13.966716261463104,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_110,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0833355295586335,0.7648849926249568,2.769869258681145,5.698125909413275,8.254798426962704,9.83769172076274,10.641166299107272,11.010727667919294,11.148414206356144,4.689833006498997,0.5225112829852221,0.0023288187865598,23.51035920200876,11.170150865764922,12.5822120379337,2.4097933895876897,5.572717500848708,11.812497743679756,0.542127698408177,3.9510862599290895,0.6645588095099576,19.877895624908987,2.337201244589871,5.00725821735854,0.2027039051149521,-3.861899351483367,-0.6288840461316684,5.855009350951378,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM1864,8.259205180308088,9.268813517381709,10.246137542322304,11.18209668376098,12.070225218355327,12.906561194705429,13.689304979667927,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_111,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0992982527509784,0.6420489184163553,2.0544970169172325,4.223941021546149,6.22048045236142,7.487558937881054,8.137388837758866,8.437565704813894,8.549594536549424,3.459941254137917,0.4637238184800958,0.0049250336383808,13.70148873384182,5.664390060807902,8.203701840812132,1.4537653044189227,4.7203602590074025,9.998294409642854,0.4654276251872353,3.9854704346773615,0.6282010291496013,18.22487818879653,1.4942684080584958,3.1769463068038144,0.0918612280412548,-3.622374726510612,-0.4829627458829009,1.4667437621235693,21.0,44.6867,2.0,1.0,0.3999999999999999,53.0,-6.0,-12.99876,-1.0,-14.0,-1.13,-40.0,RSM1864,10.257491000785762,11.050237174769414,11.814644763557087,12.549286238657425,13.252154970750556,13.92139703253069,14.555687934103606,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_112,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650882092661918,0.4144157767150687,1.5900928677293948,3.757530138170349,5.922433395487773,7.341228218365655,8.07808180066125,8.420197795665297,8.548137147835272,2.9641524463290394,0.2923078303718209,0.0041464318879521,13.45176916600826,4.375039015153878,7.9729729543126195,0.6197771270046823,6.592557209116607,14.050326849910691,0.7887963816640241,9.310747702565674,1.0212382882133613,27.93373326177466,-1.8029831292991048,-3.826023061724271,-0.3098389736822739,-9.310747702565674,-1.0212382882133613,-10.51850417534577,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.511043201567452,15.3518599199312,16.103596959910007,16.77759148025104,17.38350144790058,17.929555015063304,18.4227856881724,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_113,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1288588794882063,0.6348356560272439,1.819721412316736,3.8751716909933767,5.991034731074151,7.415776706508412,8.166156257199171,8.516768115857,8.648229873730452,3.1180815265224355,0.4830456852535407,0.008624337613871,13.059290066011968,4.609302495074526,8.0066365799668,0.8628830223047255,4.146263163318689,8.77810832038418,0.4882783070946789,7.823055109360991,0.8989099795784783,20.41010750159226,-3.8403504823651855,-8.125076520352739,-0.4576870389993286,-7.823055109360991,-0.8989099795784783,-12.698679611697996,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.308048138222686,15.0805829092491,15.786349373992223,16.430412179550526,17.017895728572178,17.553796889079884,18.0428488883291,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_114,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0767078036000218,0.3511847382188429,1.0455109401614544,2.448494303640335,4.085079399337856,5.2617706880402775,5.8999651905187465,6.201948674141688,6.315760532280045,1.9058562013819835,0.2686297598132151,0.0060822272792348,7.118491163970068,1.6198209953200495,4.66773424260603,0.1240274617501577,4.951967628226653,10.516446937958472,0.6103356775733071,9.38250218557689,1.0046866616137389,24.12682693260255,-4.349099810578357,-9.229505007624656,-0.5500488958084776,-9.38250218557689,-1.0046866616137389,-16.486633135759913,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,10.12836576544392,10.679781559855927,11.17845827297908,11.632153245285949,12.047117640724704,12.42834383415349,12.77981610978248,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_115,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0607626351589501,0.3818562289657162,1.4478586935786788,3.587188348422935,5.89410019797201,7.472128156442468,8.308322669686312,8.700016910463878,8.847031387652768,2.7805664080125205,0.2722145160028201,0.0036039731112764,11.630746169865304,3.8141874796725377,7.04513225509258,0.6022918575928098,6.500110606817081,13.812385060250346,0.6886553589749747,6.4166296912062615,0.9263741117524096,24.67073973171055,0.9568544430637403,2.1059982317302426,0.0570411460131077,-6.4166296912062615,-0.9263741117524096,2.564242278045204,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,13.924179005241276,14.78898612104632,15.570683055741442,16.276850967938454,16.914760332626404,17.491208588379614,18.01244884959062,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_116,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0721975559667592,0.385899681594047,1.4432008593525203,3.691325018505311,6.126541359603317,7.77512819901682,8.642013500280969,9.046484957837231,9.19803427316939,2.8375660333288537,0.2820176560372854,0.0052737256414885,13.347120289219088,3.97330397124348,8.070975463059499,0.5173997897619743,7.596761613173382,16.181656705449964,0.8374041803656534,7.543474254781515,0.995621902984292,28.53027894402298,1.4065994552494112,3.037818167312168,0.0629319264766257,-7.543474254781515,-0.995621902984292,1.4237500579070086,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,15.278966767615062,16.022530541264608,16.67912684544339,17.2639084340681,17.788456066038346,18.26172451749025,18.69073976380337,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_117,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0632133978769711,0.3948875062911361,1.5174028667466402,3.726097681047616,6.0579048043593655,7.631704362132829,8.459961380791135,8.846715306079995,8.991683608036414,2.899687730494475,0.2802200101839037,0.0039594237762011,13.367731069061223,4.110359986096029,8.068383830746582,0.6374458596167104,7.348577697496801,15.62808753418462,0.7278042919518293,4.227384761163088,0.8258495726543614,24.22181030675632,4.576258665100996,9.8278606490529,0.4646793443079506,-4.227384761163088,-0.8258495726543614,15.012437139220568,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,13.773696954739776,14.618400551694169,15.382047480450897,16.07495407069332,16.705182079455547,17.27932265827958,17.802967281900532,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_118,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0724472133312247,0.369423548282825,1.1869329964887867,2.7628610952216417,4.473312287230932,5.648711854332132,6.272476213350068,6.564796996673048,6.674530223027286,2.1681408960725195,0.2754146259358702,0.0053370718828837,8.301460867049693,1.984513312601032,5.496267124156986,0.2788678672994887,6.373305630599054,13.56408916617523,0.7056197158459792,6.94485508199239,0.90088846379586,24.76375656747097,0.3912387365669413,0.8761836944140156,-0.0291652791293796,-6.94485508199239,-0.90088846379586,-0.9537182566665766,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,15.54332342849744,16.236575693944413,16.851818919683062,17.402085663075965,17.89752118039739,18.34605635310692,18.75395195162623,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_119,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0663064088977611,0.4019379915204464,1.46349448902773,3.4378706908251706,5.451316777521195,6.78807693305648,7.486633152673028,7.811852929047289,7.933609820031426,2.709873732622035,0.2880742080084767,0.004269683797875,11.975891112285751,3.572476397202497,7.527692974677107,0.575848044846627,6.523948651689266,13.884463249641838,0.727796072024352,7.390425441538533,0.940343640767982,25.68149475756256,0.0839070634381335,0.2213263454406185,-0.0670105005116122,-7.390425441538533,-0.940343640767982,-2.136735281196188,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.095992771881097,14.910405135861586,15.650853852586527,16.32412351353346,16.936461669274728,17.49360284527201,18.000790458780607,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_120,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0641496761327753,0.4087982855966959,1.5669997408921343,3.8439441647390367,6.253966398661699,7.884240741810562,8.743438670174852,9.144931682917695,9.29547266077724,2.991361117853202,0.2896226109616397,0.0039605531671532,13.235473180636786,4.430099023114767,7.787301803073864,0.6372280578052751,5.896157241165722,12.49867681452257,0.6009590257356487,5.868061297900226,0.9133622381388544,22.710710797017647,0.5515336243685276,1.2652088761333902,0.0438100608177761,-5.868061297900226,-0.9133622381388544,3.210497024892107,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.076058731164409,14.89994587115508,15.6498892992719,16.331365265009367,16.950175390988,17.512032524371953,18.022346772343106,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_121,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692408329486886,0.3438773453160166,1.0765322274250178,2.5855506155959693,4.354198904612381,5.624580524024666,6.312850661258231,6.638347240110638,6.760991073136581,1.999906543390178,0.258894355397017,0.0049417938845909,8.143200957355637,1.8654315837265936,5.263085992171821,0.1261395473082598,6.391374420948143,13.574219656974806,0.7186025990059579,8.649002900890263,1.0755112051916835,27.06920286779295,-1.7364513381407525,-3.637355352105871,-0.2531102907252188,-8.649002900890263,-1.0755112051916835,-6.940748272798234,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,16.010302514604597,16.639207367495153,17.203545876494548,17.71369141008531,18.177431226264,18.60075887466793,18.988407485355765,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_122,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0675726146358011,0.3859365406229408,1.4236595901567637,3.473691849149556,5.645652761953448,7.115956749967965,7.891133551987922,8.253421037822454,8.389270132907342,2.705782135635713,0.2790059310097162,0.0045643503117725,11.563333814434904,3.4891456034650536,7.147712112205824,0.6038976428505406,6.5129896621612895,13.86317426751894,0.7312329299092537,7.527090863985989,0.9437033460963706,25.794881178377388,-0.0653066788955169,-0.0993054031414946,-0.0864646315826764,-7.527090863985989,-0.9437033460963706,-2.824533473840171,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.093072752624542,14.798894429112082,15.4376734819209,16.01700954913955,16.54352618834711,17.022938635483374,17.460179850022154,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_123,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0706498006255646,0.4200247033529278,1.569683615724127,3.689017474542812,5.847720702369494,7.292092998329033,8.05141219031913,8.40602619610137,8.538969905372634,2.9101527990312777,0.2998323931266496,0.0048896859747851,11.617476716313712,4.042387000788447,6.916963877890881,0.7681180586225741,5.630701412311346,11.949104444373916,0.5849753634850909,5.620353222176432,0.8409977243479921,21.587295524334827,0.6228333850428431,1.400316287538067,0.0403781162503278,-5.620353222176432,-0.8409977243479921,2.5263918711181192,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.164294183861042,14.937594410069982,15.640367036367168,16.28020668760399,16.863794412299566,17.39695621446891,17.884764071921474,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_124,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0691529880360295,0.3686036540001378,1.337443295391048,3.3123958844106824,5.3580521724445935,6.707482274748627,7.408715464066015,7.734236451244874,7.855952586393955,2.5745235036255854,0.2708361476400757,0.0048656156353967,12.766693793142682,3.589628419073505,7.6095280208887965,0.3199640552384224,5.497580242428289,11.684437293918885,0.5702358935401799,4.726055052034417,0.7330215830745721,20.02112393794001,1.613636209192127,3.495876465355216,0.1408857516218617,-4.726055052034417,-0.7330215830745721,4.993868970798872,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,15.095100620977329,15.847203925867625,16.517836155018404,17.11983512375369,17.66302234335133,18.155119899057645,18.602350017261763,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_125,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0687887491497833,0.38591540040348,1.4284839282623234,3.4526291207875457,5.541083359520472,6.93679850820289,7.669123842169623,8.01076814926748,8.138789470694645,2.702068063449132,0.2795614497458494,0.0047580072277749,11.306428958223345,3.3320447626380107,6.955816852675689,0.5272569517987868,6.899523456258857,14.67217145577442,0.7413945937267379,6.877677972207011,0.9589175176737882,26.16341415388224,1.0378128555621418,2.2716603690698656,0.0523390374553619,-6.877677972207011,-0.9589175176737882,2.04646968438408,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,13.964186978435055,14.768815296721078,15.498504471570206,16.161786140706127,16.76591242133875,17.317108294316014,17.82076138387587,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_126,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0730831821302395,0.4661269728232728,1.6163466205547208,3.71085868699573,5.878492517429303,7.332369787268497,8.095571172471491,8.45155827947882,8.584934449765498,2.935483109959409,0.3343370871655311,0.0044970595740974,12.742574094812449,4.186231090654109,7.955261735480596,0.8659398481191605,6.60416581488949,14.05004745102215,0.7203667608652038,6.876765833919241,0.9252400232644428,25.33436137939882,0.7162796089663503,1.5769073952829098,0.0116777815203802,-6.876765833919241,-0.9252400232644428,0.5302471023299916,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.937167780213668,15.697827987519192,16.38093047373321,16.997205448250277,17.55506769195471,18.06134880426827,18.521749057058248,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_127,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0699996387486404,0.3791173494932224,1.3791664723222905,3.326256191515435,5.343725513269022,6.694394843883775,7.403553861789222,7.734478342092549,7.858495791802261,2.602986996242168,0.2764913474278968,0.0049816608213094,10.994078635821772,3.096277352090337,6.932215281547208,0.4612334779228008,5.84669312755231,12.433925540179867,0.6643714642357395,7.593804849053359,0.925560173904326,24.23846164842274,-1.0895464710391545,-2.278844572521237,-0.1886567985844239,-7.593804849053359,-0.925560173904326,-5.617527550282979,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,15.18515309966905,15.96877066936804,16.657006879792277,17.26664479785729,17.81067445087957,18.29918805380729,18.74010509213089,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_128,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3061236303312505,0.9339768450965514,2.118630077161332,4.170091707631758,6.278628844246407,7.684156033315468,8.419574357394279,8.76210316834799,8.890360323640403,3.412082868937292,0.7673652241372633,0.050285424993803,12.489269576824912,6.06917422045672,6.874535192367192,1.3427687809559563,11.32971196903619,24.20895752589628,1.2776667421758203,9.62082203741552,1.2065163377788213,39.94624642854282,4.577253189666789,9.747640998386965,0.3130297736944773,-9.62082203741552,-1.2065163377788213,6.183952531695813,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.326444366444305,15.320856083532306,16.17992800568031,16.92630588363562,17.578396818128393,18.15112880213469,18.656652867372568,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_129,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0649033972510348,0.4132289690547042,1.5876804321958562,3.7565308352236486,5.922893005099148,7.342242568121792,8.079256269086423,8.421418580640008,8.549370851216786,2.962511462397453,0.2914707159021603,0.0041269093929155,13.472729801563046,4.373949307122478,7.984010636116758,0.6165773642787544,6.592741987255601,14.05104036588791,0.7892585377539285,9.319924523426586,1.0210928769596328,27.942069864073385,-1.810227632775008,-3.841806973378188,-0.3110071023058692,-9.319924523426586,-1.0210928769596328,-10.56722753801954,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.54603086827014,15.360931564011056,16.09337839149675,16.752820539051736,17.3476125334475,17.88506954605963,18.37157700665644,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_130,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1276204343095817,0.6328143987567998,1.821622563971638,3.8841144745878617,6.005808920433678,7.433784305870274,8.185675504064058,8.536952463731568,8.668657130985274,3.124592933510591,0.4808890916815309,0.0084671993433647,13.098917827655042,4.632600307217897,8.021855793751383,0.8664279925372235,4.1550771120574455,8.798650224625424,0.4909410414148629,7.844228635343444,0.896663398365144,20.441658029041164,-3.8372413680135713,-8.120166261814965,-0.4591574670104755,-7.844228635343444,-0.896663398365144,-12.811789765845692,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.321662195689532,15.10257407844228,15.81336383719215,16.460214693374546,17.049003211418295,17.585230593465546,18.0739687517977,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_131,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0766918602853135,0.3507224304611648,1.0425067825147754,2.445088691320992,4.084761585516834,5.264347588272549,5.904186642476987,6.206954975218946,6.321063083801758,1.902032579531832,0.2684041870887474,0.0060800672591135,7.1303899845017575,1.615002164584043,4.67319166730442,0.119858333799307,4.978619865000035,10.57334330914566,0.6133474331045905,9.407583220729776,1.0078028223862638,24.22415677225039,-4.341531719524054,-9.213351244998083,-0.5496386185569925,-9.407583220729776,-1.0078028223862638,-16.480355035905017,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,16.220215201125516,16.783487033834223,17.292152080846204,17.75435684617466,18.17664737145465,18.564242079309626,18.921299753779664,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_132,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.060823210524334,0.3825601166764457,1.4490259934485434,3.5887565290482715,5.896284059936868,7.474746639044451,8.311171630588408,8.702974005916511,8.850029119974913,2.7819481198044205,0.2727250346162389,0.0036060192134898,11.639095784878274,3.818948134489304,7.041275949564581,0.5993380440301685,6.517104219332032,13.849298236280156,0.6916399902259001,6.459722770389597,0.9286074057929686,24.758819177610672,0.9368976083341513,2.062759465238842,0.0537601925407181,-6.459722770389597,-0.9286074057929686,2.433026258629301,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.206126634349689,15.04978918934678,15.814639517771118,16.507215902902452,17.134038272491978,17.70135345936723,18.215003433411265,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_133,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0720312215148369,0.3853130699529143,1.4435475653163532,3.692886298525925,6.128119634451375,7.776416404201504,8.643099821344485,9.047469058629128,9.198978967923267,2.8388726535181767,0.2814986997292866,0.0052528489458773,13.340777453611542,3.974560963680837,8.066939175887887,0.5175927663698723,7.641587978135555,16.27728577508394,0.8422457129370273,7.577181602082293,1.000476374247758,28.684618979308503,1.4282414612637535,3.084079129201762,0.0647372310029035,-7.577181602082293,-1.000476374247758,1.4718221116141672,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.900898165480822,15.705758800491823,16.415450296478394,17.046100343646955,17.610286959219366,18.117884086736044,18.576723355367456,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_134,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0631539557952406,0.3940722470125755,1.5150737086672337,3.723388087378821,6.056100544535872,7.630848908011579,8.459664587093481,8.846688912356978,8.991759847413414,2.8969111967298145,0.2796847321458491,0.0039557751638267,13.349060523684797,4.1002941639746,8.060286108527517,0.63500010723833,7.344309194541553,15.61951360276396,0.7280989740656253,4.240203680195435,0.8252001089740092,24.22108974308819,4.5608872146199415,9.794509171873075,0.462420666850524,-4.240203680195435,-0.8252001089740092,14.922348990559644,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,13.848882432891186,14.702278766775594,15.471019747463162,16.16629291095756,16.79684909323069,17.36982106826596,17.891222589587404,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_135,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.072406225343727,0.3691138677409731,1.1862667055070737,2.761257134756581,4.469581926057971,5.643030291180522,6.265635349035239,6.557387274080791,6.666903017667844,2.167017123467567,0.2751931631483422,0.005332660728718,8.289592020081766,1.9794248768687488,5.487928751937795,0.2758374510653388,6.383457211374965,13.586475037780245,0.7084876951677522,7.010850986748937,0.90400275778218,24.86057515651956,0.3372198365824267,0.7601542564943945,-0.036419990372013,-7.010850986748937,-0.90400275778218,-1.2111938373722189,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,15.420847748961526,16.155566375013382,16.805735252250113,17.385598233032713,17.906277053324068,18.3764846780362,18.803106975244503,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_136,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0663664606523097,0.4024152139389148,1.467039044543871,3.447657653871846,5.465723977657245,6.804615261039094,7.504031835406553,7.829598488517877,7.951476885023176,2.717527512572348,0.2883735330411868,0.0042748201369751,12.01637713554169,3.590221795993012,7.549501678587375,0.5810115121598348,6.542953722614891,13.924266292451172,0.7281630886968221,7.351062117279218,0.9407024232189156,25.69069377220011,0.1466413639321088,0.3560123388007076,-0.059203580042122,-7.351062117279218,-0.9407024232189156,-1.867139633662936,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,13.991675839123698,14.811897629722422,15.557870426608362,16.23635615562106,16.853590823150604,17.415307766874253,17.92675687121835,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_137,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0640355295273784,0.4084787392171281,1.56377085835806,3.839823350539131,6.252094954794607,7.884547275502304,8.74500141148191,9.14709972016011,9.297870241079382,2.9870164114983533,0.2894882211336994,0.0039394034394637,13.22724033619344,4.414474794598567,7.784366762987939,0.6324202025362716,5.912903211908725,12.53346059130715,0.6018538934295734,5.873289312540067,0.9168836024370745,22.76829299401628,0.5596901838316011,1.2835845305797198,0.0454054461444591,-5.873289312540067,-0.9168836024370745,3.2925973390372785,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,13.810958789697503,14.659627368511323,15.43639479811525,16.144992340382785,16.790131409590067,17.376902485044628,17.910406174257506,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_138,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0693782387724284,0.344241839899355,1.07798995482907,2.5900950938634475,4.362319984456302,5.635170431386494,6.324752871751494,6.650865324850613,6.773740528736568,2.003232661279384,0.2591884012239285,0.0049614128541467,8.178421993207458,1.8742981670198635,5.282362292988179,0.1254865275867183,6.388642558852169,13.56858399977976,0.7188141603892148,8.664292421603404,1.0758692019023643,27.078404005753367,-1.7554913317021918,-3.678196075182707,-0.255499037674217,-8.664292421603404,-1.0758692019023643,-7.022557926466741,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,16.65576176838128,17.22692675178536,17.74296480107771,18.21248319902222,18.64183536240736,19.035865133084123,19.39838839162533,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_139,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0675928665364661,0.3866300986048411,1.4298890187023403,3.4841260069106426,5.655256449652753,7.123624482746363,7.897523681049389,8.259168987075512,8.394770850009149,2.71548121953904,0.279267332901249,0.0045701308240668,11.616967782796724,3.5171382404586864,7.170529383125113,0.6034350768345568,6.529006586707589,13.89825679890841,0.7344985705787287,7.5784035063635615,0.945814386089582,25.887804630574543,-0.0935510600757792,-0.1604898862074844,-0.0909530179155477,-7.5784035063635615,-0.945814386089582,-3.003000966725132,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.980626487007957,15.685242462906498,16.323017258472373,16.901537328244068,17.427394610701512,17.906271743056806,18.34307396160628,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_140,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0709493291411245,0.4216228967259658,1.5751739352496856,3.704716102091611,5.876441675185126,7.330098736476228,8.094361171041289,8.451287892945196,8.585098661867677,2.9216749517278693,0.3010042685106852,0.00492411834544,11.705059188867589,4.0819619924590524,6.958990178609117,0.7740097717211727,5.650627570460196,11.99292730533464,0.5865061717528719,5.55167674128805,0.8348390178231921,21.54573756782781,0.7373727004666313,1.643536873012857,0.0522938553398108,-5.55167674128805,-0.8348390178231921,2.848306493370674,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.296010608225838,15.051327799448195,15.739904119746262,16.3684422066706,16.94297695133408,17.4688549488767,17.9507848804234,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_141,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692627359012147,0.3693467690771138,1.3401303189469609,3.318196517285524,5.366769770560849,6.718100475040832,7.420327871436567,7.7463129512996,7.868203094939596,2.579222629580524,0.2713504816582531,0.0048782802757106,12.79049768443342,3.600948026173507,7.619368001403186,0.3215775103868311,5.5139967351443575,11.719617579332002,0.5715616630981851,4.709868381027759,0.7326317847144426,20.04271335325888,1.6548321433917486,3.58368142767902,0.1453212247554255,-4.709868381027759,-0.7326317847144426,5.124298011262293,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,15.096933939278914,15.843683606865724,16.51226066260295,17.114234916765458,17.658625628727524,18.152645582613754,18.602192996898683,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_142,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0689156485916121,0.3871365580769814,1.4309372449031557,3.45466950805542,5.5416383404163145,6.935915798184976,7.66736549419812,8.008575424225471,8.136429936071186,2.704411878655926,0.2804166565311685,0.0047687344298537,11.32286111924114,3.3381782058187515,6.966530988560407,0.5304002833987077,6.899604915000809,14.672320964288884,0.7416300734393485,6.890016948375893,0.9598151487437158,26.17834459920845,1.0238998238521295,2.24198460174048,0.0507204004459453,-6.890016948375893,-0.9598151487437158,1.9965060444393463,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.078627201914042,14.809765109017812,15.477557667568812,16.087978399926378,16.64643831678553,17.157806827165018,17.626450460985335,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_143,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.073211666791252,0.465860661366403,1.6145841595284125,3.708201778518042,5.875928395111792,7.330106889203195,8.093505886869305,8.449591365431438,8.583005216693909,2.932987240841509,0.3342855247515546,0.0045113018330795,12.73793547577697,4.180456833249832,7.954147611900162,0.8637702085853352,6.589938642814018,14.019670051742178,0.718630539104385,6.857219360362468,0.92318354610115,25.275224180668804,0.7190794842348236,1.5828909440689811,0.012271273600499,-6.857219360362468,-0.92318354610115,0.5526498880327977,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,14.40949886851214,15.238702718535222,15.9803425469556,16.646906345534667,17.248229969316263,17.792288189681095,18.285702842685428,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_144,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0698592858577484,0.3787816258441985,1.3786185498743353,3.327461988296159,5.348282859970289,6.70157997100644,7.412183810419394,7.743792826816071,7.868068190061489,2.6032940637477537,0.2762084471319973,0.0049615850489791,10.996142761865448,3.097186889989058,6.930223839231067,0.4597835639554982,5.851743597259573,12.44455258753844,0.6646375098255081,7.589694221974408,0.9259465357550484,24.24790875085294,-1.079544325407265,-2.2573388019153184,-0.1874175826402772,-7.589694221974408,-0.9259465357550484,-5.574019485449544,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,15.628158917206736,16.344207614712523,16.976044435900665,17.53851753730545,18.04294485877468,18.49803074872654,18.91056589232012,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1864_145,RSM1864.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3076969445251064,0.9354096202653452,2.1203442483797903,4.174107101260279,6.2821063799444445,7.68592167789577,8.420123634475873,8.762023011907123,8.890035041485033,3.4155389343203315,0.7690469576947742,0.0506873892996494,12.501068409621585,6.079574766574923,6.874515025891238,1.3456928642400867,11.242321704761842,24.022387945116662,1.268819085395217,9.589933852946965,1.1995758822824762,39.68749177484195,4.494932341873642,9.571928268236102,0.3049063192683313,-9.589933852946965,-1.1995758822824762,5.950544960400953,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM1864,15.18487042147748,16.093047648598468,16.873519362952266,17.549009833284714,18.137530179159835,18.65341480262579,19.108160049117373,"[Ni].[Ni][OH2][Ni].[O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-].n1ccc(cc1)c1ccncc1,rna.cat0","linker [O-]C(=O)CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])CC(=O)[O-], n1ccc(cc1)c1ccncc1, nodes [Ni], [Ni][OH2][Ni], topology rna"
RSM1878_0,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.001486494914506,0.1294332486937449,1.0802664964456774,3.169636020259789,5.408199641226257,6.933451764323123,7.741022878371964,8.11927183634529,8.261241029085781,2.382324259097006,0.0642613663555353,5.521186076129204e-07,9.826724685997862,2.8212702196528,6.032829205905926,0.3203908847612683,17.989511168242664,40.991965763312336,2.077976924045396,8.32239652793892,1.6096694499663005,73.51082884196443,-17.989511168242664,-40.991965763312336,-2.077976924045396,7.386673439394166,1.6096694499663005,-73.51082884196443,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1878,22.32944038568809,22.63440905711095,22.872714941576007,23.06226593340078,23.21540193984345,23.340826099527888,23.444806957433663,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_1,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0014867640016932,0.1294379933094245,1.0801600795040702,3.1693554089143947,5.408029825770675,6.933508750947271,7.741241234555175,8.119574600098746,8.261576854878943,2.382078107211165,0.064266395012269,5.521237853033222e-07,9.82577697180048,2.820631499180104,6.03243460855844,0.3202781753449355,17.989355193230423,40.99158653746024,2.077910995865587,8.322288790231925,1.6096202746123731,73.50699374443901,-17.989355193230423,-40.99158653746024,-2.077910995865587,7.387356839844874,1.6096202746123731,-73.50699374443901,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1878,22.346295987859936,22.64873349859417,22.885013428751943,23.072924308713063,23.224717780959743,23.34903142289848,23.452084673876065,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_2,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0014866479692771,0.129400847062596,1.0797485239294191,3.168275219150664,5.406364954709794,6.931474318508216,7.739014500737759,8.117258077467314,8.259226645574316,2.3812288294192294,0.0642515881445843,5.517684199154644e-07,9.820755106837932,2.818452146400079,6.0301714960368695,0.3200799942076046,17.98736777529344,40.98735794901381,2.077653843997896,8.323247600698142,1.6100185704796408,73.49893020338547,-17.98736777529344,-40.98735794901381,-2.077653843997896,7.3914014727234,1.6100185704796408,-73.49893020338547,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1878,22.343912171310752,22.64677315384544,22.883373413444943,23.071532266728983,23.22352152762961,23.34799240871145,23.451173821581527,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_3,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0014866898104658,0.1294459390952683,1.08031003501867,3.1697037844238825,5.4082981575625135,6.933576489238419,7.741162944968933,8.119419398864066,8.261391453318392,2.382383317275302,0.064268648058462,5.520586306004924e-07,9.82723337918339,2.821429327725741,6.033074163707171,0.3204073714229061,17.989280683071517,40.99146866960364,2.0779405625823646,8.322481567257942,1.609702108368329,73.50943596540793,-17.989280683071517,-40.99146866960364,-2.0779405625823646,7.387194816269568,1.609702108368329,-73.50943596540793,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1878,22.32956946719378,22.634506381586323,22.872790808851256,23.062326720484343,23.21545176419365,23.340867719343112,23.44484228117377,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_4,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0014862936930738,0.1294220979066921,1.080095517021556,3.1692341965178,5.407861494897427,6.9333082148307295,7.741022980377805,8.119347849196645,8.2613468803053,2.3819752854577283,0.0642568039450921,5.517174489999185e-07,9.825154158988664,2.8203649781175346,6.03207670709434,0.3202298450552062,17.98940616360048,40.99169605326426,2.0779186169293444,8.322268304116898,1.609611728104228,73.5072723670517,-17.98940616360048,-40.99169605326426,-2.0779186169293444,7.387244900964766,1.609611728104228,-73.5072723670517,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1878,22.344217931985494,22.64697919373961,22.88351494149545,23.07163088649347,23.22359092448509,23.34804149766613,23.451208553899967,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_5,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0014864847833657,0.1294051221991993,1.0798017632681445,3.168357066662977,5.406389456422871,6.931426085624138,7.7389196005045715,8.1171396655082,8.259099155954816,2.3813115168688035,0.0642526925737846,5.514543235772033e-07,9.82086225446638,2.818541981648924,6.030207700347823,0.3201097106483865,17.987420549305646,40.98748004865357,2.0776701801299047,8.323260171213974,1.610025523390174,73.49980986256509,-17.987420549305646,-40.98748004865357,-2.0776701801299047,7.39121800965512,1.610025523390174,-73.49980986256509,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1878,22.34336467301833,22.64631439490487,22.882983897204216,23.071197684822984,23.22323118513461,23.347738174679908,23.450949417221064,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_6,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0030332063383474,0.1441885632209357,0.9657246011111345,2.701576198486655,4.587320357401339,5.885942275024481,6.5769198746189845,6.901244478730812,7.023078497266959,2.045467869118436,0.0782945282265535,3.735403292303506e-06,7.287701857036691,1.9794951599656487,4.665958094217856,0.2559673877611613,18.007103635975085,41.02094751988215,2.071566118151364,8.279160836630375,1.576025353524896,72.97411009072007,-18.007103635975085,-41.02094751988215,-2.071566118151364,7.420367418814004,1.576025353524896,-72.97411009072007,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1878,22.1434014485397,22.44649814736888,22.690816124991297,22.89010283423529,23.05445239028646,23.19136735497982,23.306492202647835,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_7,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0030350898304422,0.1442245822232494,0.965936308994518,2.702166399913422,4.5884109332272525,5.8874385820075625,6.578650305698108,6.9030888128505765,7.024966253689965,2.045908586384325,0.0783163817640398,3.741479985505584e-06,7.290090868451161,1.98043967604176,4.667258811987718,0.2561362494038633,18.007306228199873,41.021352748241966,2.0715672709591084,8.27896285563656,1.5759373614993848,72.97317782613821,-18.007306228199873,-41.021352748241966,-2.0715672709591084,7.420155604127265,1.5759373614993848,-72.97317782613821,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1878,22.13006897595436,22.4349844134434,22.680797203389623,22.881321921752622,23.04670472867512,23.184488614297774,23.30034956701985,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_8,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0030365816111746,0.1442306201311596,0.9660778849355628,2.7030294760301,4.590515062317962,5.8905675035513765,6.582362837646268,6.907082628273962,7.029066826674399,2.0464398777995747,0.0783207316195979,3.749110097071317e-06,7.294743195954321,1.981735304680212,4.669801170246741,0.256258758861023,18.008259941333208,41.02342780330115,2.071735084337943,8.278680396018565,1.5758276092403662,72.98015619699001,-18.008259941333208,-41.02342780330115,-2.071735084337943,7.417859383963244,1.5758276092403662,-72.98015619699001,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1878,22.129871638604467,22.434681448754034,22.680441797936496,22.88094567878897,23.04632623273692,23.184118565025745,23.299993870851143,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_9,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404240519137922,0.4851569628270845,1.3900553630986954,3.1210157857583005,4.942545060568309,6.174178269721398,6.823430000371499,7.126864071861095,7.240645384851565,2.475141326215049,0.3832169712974222,0.0200781403612589,10.18080793061925,2.735612229842402,6.378861005049513,0.2690187312584466,1.8174495241175428,3.947743443828769,0.3133946182917214,4.3246064704513145,0.2211501289353287,12.850375659832787,1.8174495241175428,3.947743443828769,0.3133946182917214,4.3246064704513145,0.2211501289353287,12.850375659832787,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1878,3.862679026631322,4.550073139487001,5.248745075039015,5.942746253831948,6.620317736793624,7.273504847451451,7.897514310731994,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_10,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.14250675518747,0.504272050350458,1.6241916686364195,3.9783698737449305,6.5004524261006456,8.20273140385522,9.09751762946582,9.515032633056238,9.67147946575474,3.088880355755586,0.3930811797583539,0.0206345108359347,14.349033455721925,4.469888809911497,8.900087237874232,0.7707065197618801,6.5164332392698885,14.285426824024803,1.051310454178943,12.028380715170698,0.6331702420568611,42.25179537797547,6.5164332392698885,14.285426824024803,1.051310454178943,12.028380715170698,0.5434536467047192,42.25179537797547,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.309357571277208,3.995198968692191,4.700511241955002,5.407302019018706,6.101941864219496,6.774923662966732,7.420241051302514,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_11,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412355134372657,0.4958308659679605,1.4672514807654902,3.329036953422009,5.296369124888963,6.634549268448382,7.342588710946576,7.674099615293409,7.798506059491498,2.6341716160612108,0.3889529045446911,0.0202752102843606,10.929807205700197,2.700411527444569,7.404527633004056,0.5730745508605507,3.896653770438758,8.580489222156398,0.7020880693668862,8.308185801206774,0.2922402228369545,30.179398513845555,3.896653770438758,8.580489222156398,0.7020880693668862,8.308185801206774,0.2549372637555928,30.179398513845555,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.465117863159941,4.104137997057861,4.765985500069236,5.434331935561972,6.096204451688092,6.74208381618479,7.365562604881124,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_12,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422899394011602,0.4905665836015335,1.4248254064964263,3.2619435171012228,5.220424362992327,6.549044920262066,7.249996458965213,7.577675758576611,7.70055943990641,2.571887558130631,0.3871391755960276,0.0206035076097445,10.7035985765214,2.5897182929076368,7.270545885491805,0.5259476201561298,4.017381864483756,8.807928734450305,0.7381594773156418,9.435179968646471,0.3610330804923765,31.793173110117188,4.017381864483756,8.807928734450305,0.7381594773156418,9.435179968646471,0.3459444845716349,31.793173110117188,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.5411351808622067,4.207678462182813,4.893271531658736,5.580767086253732,6.257129970041856,6.913198334490716,7.543112816620849,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_13,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2036440128158195,0.586430816979968,1.472682481781933,3.1999246308140155,5.117765538211732,6.451763512035816,7.163601458677308,7.497997448166,7.623648342691055,2.5423802414750627,0.4781938671960164,0.041500072177094,9.215775491385257,2.8779662669387327,5.805156776363741,0.5939568516669919,4.79566587526546,10.301415094219276,0.6991472133269003,10.157824155337076,0.7989407520307975,25.060983882217275,4.79566587526546,10.301415094219276,0.6991472133269003,10.157824155337076,0.7917901507330197,25.060983882217275,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,6.024024900765181,6.763805257567456,7.45681217144279,8.105100822833073,8.710275887886068,9.273803745505973,9.797246412621153,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_14,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403767496104808,0.4851024932847366,1.390237152344855,3.121330232058056,4.942613184415539,6.173971622785731,6.8230586861063385,7.126412429893956,7.2401631508545,2.475463773801627,0.3831527997201738,0.0200648158871987,10.181300451224446,2.736467962464091,6.37964542809819,0.2696808825200013,1.8174783786817987,3.947823596940404,0.3134165453452038,4.32481074144343,0.2211218559911431,12.851766280755276,1.8174783786817987,3.947823596940404,0.3134165453452038,4.32481074144343,0.2211218559911431,12.851766280755276,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1878,3.847411256672209,4.533922977634285,5.232180173022769,5.926136561418881,6.603937767269684,7.257547181395723,7.882106107334098,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_15,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1424741034895472,0.5042083179358785,1.6240867040063292,3.978228237079285,6.500303023935642,8.202574116429671,9.097351965441412,9.514861755749926,9.67130640202275,3.088746897059293,0.3930251052420168,0.020625269544531,14.348105262192368,4.469491730634702,8.899796453484052,0.7704072865418817,6.509901132220416,14.270778777628646,1.0504449162597385,12.025212692932737,0.6329607805301465,42.219458949664855,6.509901132220416,14.270778777628646,1.0504449162597385,12.025212692932737,0.5435626352878782,42.219458949664855,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.312379778597688,3.998483311798688,4.703950682560187,5.410809288955035,6.10544969728953,6.778382536891063,7.423616067808309,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_16,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411783441775367,0.4957643526101635,1.467007727185745,3.3282540306665043,5.294984907215297,6.6327446281588,7.34055830316098,7.671962777697229,7.79632916821777,2.633595524634267,0.3888858011372959,0.0202586936604735,10.930167759764975,2.6986898870078133,7.405845179781681,0.5726556031985045,3.8890058748731486,8.56364622063068,0.7011056536382956,8.300838087856016,0.2915339767374214,30.14537195865358,3.8890058748731486,8.56364622063068,0.7011056536382956,8.300838087856016,0.2544835738574085,30.14537195865358,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.471125077904182,4.110505330251428,4.77252942603771,5.440905800584412,6.102698283012368,6.748419611745072,7.371688212794119,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_17,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422675803429596,0.4904272923695323,1.4240061293529471,3.260183431565582,5.217980137381182,6.546185598258877,7.24691866615617,7.574494735272934,7.697339450520778,2.5704258574084045,0.3870561938377708,0.0205973718973149,10.696882769022686,2.585998561155896,7.266859794760408,0.5242886876976223,4.011533041365752,8.795065573104928,0.737298779400647,9.426838155827708,0.3604973917599199,31.760285831535043,4.011533041365752,8.795065573104928,0.737298779400647,9.426838155827708,0.3455447570702488,31.760285831535043,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.5288242988668976,4.194600878882757,4.879817015850786,5.567249059455712,6.24378365646656,6.900190191762659,7.530553612735625,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_18,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2036060263575086,0.586399893355316,1.4730711841421462,3.201274878562525,5.119960580101482,6.4544413371865605,7.166510042448347,7.501008843487988,7.626697504516497,2.543387324552911,0.4781493359788249,0.0414849064373139,9.221253275121075,2.881137687844584,5.807641041974418,0.5951953883531678,4.794692853118836,10.299025753784116,0.6989706689114316,10.159207954008934,0.7992340927380434,25.05187552266376,4.794692853118836,10.299025753784116,0.6989706689114316,10.159207954008934,0.7922001564160965,25.05187552266376,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,6.005462983823636,6.745708544317643,7.439323709898976,8.08829805598524,8.694197683634432,9.258464903092822,9.782645786764968,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_19,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.14039146381361,0.4851029533857648,1.390054030002442,3.120755178024457,4.941631614333856,6.172727017909185,6.821680777653602,7.124973628522072,7.238701755747669,2.4750351815730247,0.3831641273741143,0.0200690541761648,10.178916500614145,2.7359404538185954,6.377349443824205,0.2691969038167145,1.816638157752019,3.945979782221298,0.3132534818367997,4.322666012446417,0.2210537017556488,12.844552939815886,1.816638157752019,3.945979782221298,0.3132534818367997,4.322666012446417,0.2210537017556488,12.844552939815886,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1878,3.854969998239585,4.542055940485784,5.240619178376254,5.934662710640049,6.612385078803172,7.265797225871465,7.890079398912617,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_20,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1424821575749111,0.5043014386274971,1.624498952982731,3.978701858141448,6.50058938525034,8.202709697401442,9.097410669936998,9.514885853655974,9.671317778535084,3.0892469473685766,0.3930782619555363,0.0206272696536177,14.34908778567703,4.471156118040192,8.899803224502888,0.7709411135326911,6.512621530060188,14.276943984390552,1.0507160430441251,12.02359406215243,0.6329700832685548,42.22762499661386,6.512621530060188,14.276943984390552,1.0507160430441251,12.02359406215243,0.5433704986033407,42.22762499661386,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.307065676603468,3.9929463999913137,4.698339005621001,5.40523396829803,6.0999897303203925,6.773091130378695,7.418526727719273,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_21,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412368454605272,0.4958144348404492,1.466974887332985,3.328113099257124,5.294798998749989,6.632578190061426,7.340417440307204,7.671837265871226,7.796209951460811,2.6334899567995693,0.3889478845953963,0.0202756037526938,10.926949181469396,2.698008320523595,7.403720381904306,0.5729411811327598,3.888221445637656,8.561832734729398,0.7007591037175132,8.295750576947032,0.2916713760232854,30.125691617079383,3.888221445637656,8.561832734729398,0.7007591037175132,8.295750576947032,0.254573594881382,30.125691617079383,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.465531680989316,4.104662964421509,4.766582568743476,5.434969855838083,6.096859641671792,6.742739326272021,7.366206817172552,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_22,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1423241801521597,0.4905490515413404,1.4243126212810384,3.2605203753121854,5.218200693940736,6.546335006484078,7.247041971746166,7.574609156907427,7.697451118335619,2.570783188531046,0.3871553737243608,0.0206135403963781,10.697134750540886,2.5864518361526345,7.267381768250404,0.5250123908010013,4.013260976871276,8.79883071642736,0.7376281138199439,9.43149169826978,0.360681505549088,31.77457487839443,4.013260976871276,8.79883071642736,0.7376281138199439,9.43149169826978,0.3457378758845794,31.77457487839443,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.535797828300749,4.202178695259272,4.887770273845889,5.575378566487046,6.251929575371308,6.908231693626263,7.538403963118754,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_23,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2035397919970276,0.5864195672559165,1.472950635472247,3.200814660875236,5.119347442747861,6.453797692988271,7.165866083670951,7.500367719647561,7.626057884430896,2.543027438548798,0.4781448962060787,0.041454740485682,9.21989168604164,2.87948722255242,5.8082334833469655,0.5956413028187334,4.798116038456187,10.306701971104085,0.6994822475739182,10.162177934716842,0.7993214288291278,25.07251831689221,4.798116038456187,10.306701971104085,0.6994822475739182,10.162177934716842,0.792146788123654,25.07251831689221,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,6.017829125334456,6.757742865402446,7.450940239910983,8.09945335183583,8.704871939787074,9.26865234419236,9.79234963422022,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_24,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140381959245835,0.4850791254370525,1.3899352045475444,3.120820744945056,4.942270025797052,6.1738534734181805,6.82308072310945,7.12650377733267,7.240281028665485,2.47497520470301,0.3831473199355268,0.0200663523399361,10.17971217333331,2.7353277090218624,6.378183872951548,0.2689715338918408,1.8172506973373512,3.947308530122604,0.3133573892472989,4.324109811315743,0.2211314554764357,12.848763760624168,1.8172506973373512,3.947308530122604,0.3133573892472989,4.324109811315743,0.2211314554764357,12.848763760624168,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1878,3.862586522437845,4.550017152608435,5.248719482623939,5.942745750302563,6.62033773432399,7.273541406732416,7.897564080211224,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_25,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425314934825454,0.5043020017184513,1.624222732214207,3.978447075849833,6.500592979357991,8.202916610681523,9.097726416250104,9.515252410559228,9.671703357440505,3.088937422671892,0.3931123536465055,0.0206416790980499,14.349539050949256,4.470115422834069,8.900424075054433,0.7707054320878626,6.516203470142809,14.284906249564438,1.051285898411236,12.02847739181316,0.6331686620303563,42.251001223338,6.516203470142809,14.284906249564438,1.051285898411236,12.02847739181316,0.5434682514278468,42.251001223338,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.309446246230874,3.995311425793822,4.700644736013834,5.407453298495351,6.102107527804278,6.775100406069674,7.420425823291604,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_26,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412022271781187,0.4957805179881996,1.4671469976952618,3.3289361658386256,5.296355224596859,6.634607470831001,7.342685701796045,7.674214660887772,7.798627848661347,2.634054911483156,0.3889066126231608,0.0202656464855185,10.93008518078246,2.70016353981126,7.404720254195292,0.5728951230701835,3.895497396822772,8.577947673787186,0.7019196666808104,8.306554013381065,0.2921326901380979,30.17301856220924,3.895497396822772,8.577947673787186,0.7019196666808104,8.306554013381065,0.2548567155677492,30.17301856220924,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.464814326853455,4.103810382001161,4.765641764431923,5.433979172544646,6.095848570956415,6.741729519601609,7.365213500231078,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_27,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422118511800718,0.4904469263060698,1.424665448276359,3.2617248389548665,5.220162305301832,6.548760289696012,7.249701328627566,7.577375968101944,7.700257936812351,2.5716884342976214,0.3870261628320581,0.0205810747971837,10.702768556245768,2.5892870425770176,7.270139209267,0.5258370619763721,4.016673037048927,8.80636565955624,0.7380658728966776,9.434469114381134,0.3609698444216233,31.78984487716903,4.016673037048927,8.80636565955624,0.7380658728966776,9.434469114381134,0.3459043640027286,31.78984487716903,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.541343671844752,4.207936071240968,4.89356304867209,5.581080550167139,6.257456124953146,6.913530121119957,7.543444929330117,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_28,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2036097284716541,0.5864180855707396,1.472691051293393,3.1999035772186155,5.117718726180363,6.451706725406897,7.16354139043594,7.49793624174909,7.623586768963758,2.542371232868031,0.4781720446421197,0.0414854041788432,9.215257014165552,2.877874559412965,5.805050907186949,0.5942593605126164,4.796548456876608,10.303346255410458,0.6992684619789126,10.159027145818133,0.7990380310198806,25.065336771379314,4.796548456876608,10.303346255410458,0.6992684619789126,10.159027145818133,0.7918673236637686,25.065336771379314,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,6.019232608002087,6.759221925644316,7.452472265945983,8.101015237862976,8.706442422636005,9.27021318907519,9.793886035905055,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_29,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404063992012754,0.4851484461728704,1.3902675453482145,3.1212398308827263,4.942390835879304,6.173673097923952,6.822724763473913,7.126063074739665,7.239808188491428,2.475422555901834,0.3831959380564216,0.0200732500372715,10.180706320694414,2.7363635425857606,6.379143934162867,0.2696133760672391,1.8173354859774893,3.9475142160377534,0.3133928764789365,4.324478497808981,0.2211026478619767,12.850823923638105,1.8173354859774893,3.9475142160377534,0.3133928764789365,4.324478497808981,0.2211026478619767,12.850823923638105,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1878,3.847201413428398,4.533756216217746,5.2320481537210775,5.926032873048454,6.603857397638505,7.257486146134612,7.882061190501982,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_30,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425840922683544,0.5043772980751093,1.6242859613724463,3.978445218997481,6.500525397112843,8.202796805898645,9.097574143528824,9.5150835668323,9.6715280564669,3.0889595221341706,0.3931852762460596,0.0206568488045516,14.34894687475744,4.47012605131032,8.900189946905583,0.7705879780626377,6.509792205586297,14.270550780503427,1.050439067699583,12.02512320178609,0.6329290697709254,42.21956580192368,6.509792205586297,14.270550780503427,1.050439067699583,12.02512320178609,0.5435329743181652,42.21956580192368,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.312192110136336,3.9982728499421945,4.703723563843255,5.410571392880918,6.105206146230385,6.778137526442753,7.423372880116701,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_31,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412858592350253,0.495920805385532,1.4670972341863442,3.3281783867561354,5.294771800269466,6.632453018094519,7.340228633045906,7.671615977388574,7.795976044097158,2.6335772678635543,0.3890385829970756,0.0202893531099329,10.929386276187437,2.69848372294456,7.405334101610873,0.5726304501693766,3.888306457810396,8.56213724389837,0.7009605233404238,8.298475628107436,0.2914423663572174,30.13892506610328,3.888306457810396,8.56213724389837,0.7009605233404238,8.298475628107436,0.2543764253725922,30.13892506610328,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.470845993168702,4.110221546698375,4.7722414707998135,5.44061559480217,6.102408192855745,6.748131948454715,7.371405000976112,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_32,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422841443330644,0.4904391861943532,1.4239128788539488,3.259873914781028,5.217472839737962,6.545558227676804,7.246231361605265,7.573780097291634,7.69661466609945,2.5701938297913385,0.3870739280875165,0.0206021656567413,10.69530070054074,2.5853300980774057,7.265945269317608,0.5241131162114786,4.010940879345781,8.793772148725292,0.73720249674302,9.425660638334794,0.3604313368810394,31.756427610263263,4.010940879345781,8.793772148725292,0.73720249674302,9.425660638334794,0.3454844254657612,31.756427610263263,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.529651849833433,4.195490566142786,4.880747331653313,5.568201196893703,6.244742169429481,6.901142952451941,7.531491445403619,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_33,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2035499077091248,0.5863656156037588,1.4731628831368344,3.201502344813888,5.120273479900631,6.454803068888498,7.166896701939383,7.501407098207943,7.627100105515692,2.543574704564898,0.4781014432830962,0.0414615278946218,9.221851031738623,2.8815702314879927,5.807987368660522,0.595518456723825,4.795516023515821,10.300802126145324,0.6990720892046557,10.160416971003912,0.7993656120180247,25.05504145509643,4.795516023515821,10.300802126145324,0.6990720892046557,10.160416971003912,0.7923185049705507,25.05504145509643,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,6.004099721166504,6.744258595931155,7.437809858748534,8.086741768485522,8.692618637267474,9.256880446830952,9.781070624727745,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_34,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404460958272374,0.4851923762195683,1.3901915852589002,3.120868433305241,4.941641319525736,6.172647913114499,6.821551731529141,7.124820748715462,7.238539872980651,2.475170154735766,0.3832458053845182,0.0200845672795294,10.178971896873447,2.7361802681171485,6.377205216258951,0.2692277948228617,1.8165664306264635,3.9458116855113072,0.3132291874874341,4.322399930525937,0.221067335089837,12.843210970988077,1.8165664306264635,3.9458116855113072,0.3132291874874341,4.322399930525937,0.221067335089837,12.843210970988077,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1878,3.8547876141003705,4.541870567367964,5.240438695115447,5.934492060700728,6.612227008844325,7.265652950584314,7.889949126051576,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_35,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425022059111524,0.5043092785057236,1.6244637039803171,3.978699505902864,6.500657695585926,8.202827441506562,9.09755355360472,9.515040175666728,9.67147633374112,3.089224646338531,0.3930944085611894,0.0206331658442932,14.349343648060598,4.471213366442658,8.899972725520042,0.7708249966313105,6.512856137744329,14.27750683467774,1.0507559410636185,12.023386405015351,0.6329179418894741,42.22957115483363,6.512856137744329,14.27750683467774,1.0507559410636185,12.023386405015351,0.5432947885654431,42.22957115483363,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.3068345036920284,3.992746196262741,4.69817093817147,5.40509697252989,6.099881392352345,6.773008370135277,7.418466264616495,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_36,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412503663100104,0.4958320520346939,1.466887323537878,3.32781363227229,5.294335069170645,6.632025192924629,7.339822644772579,7.671223964077404,7.795589866696227,2.6332621364894235,0.3889679759307581,0.0202793949615385,10.925780322345638,2.6974006812314792,7.402987683271163,0.5726819688200614,3.8864944889156425,8.558027843123952,0.700499090982679,8.293252465576488,0.2915272759391509,30.11556453186672,3.8864944889156425,8.558027843123952,0.700499090982679,8.293252465576488,0.2544700098305614,30.11556453186672,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.465571771698296,4.104692181254479,4.766604603588181,5.434987470953727,6.096874806036,6.742753386734852,7.366220658307714,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_37,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422424616226318,0.4904116104333162,1.4240829252301692,3.260165697085468,5.217763800606026,6.54585757601953,7.246545935994718,7.574104878004486,7.696943809559599,2.5704681543023664,0.3870301788621298,0.0205901528860684,10.695889840523408,2.585835862506994,7.266620453942664,0.5246630208857567,4.012648177829727,8.797506281097077,0.7375096813882356,9.429651529315798,0.3606013488874773,31.76946856500777,4.012648177829727,8.797506281097077,0.7375096813882356,9.429651529315798,0.3456490553278163,31.76946856500777,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,3.535868021290689,4.202249899286449,4.887840976946931,5.575447539203831,6.251995906811573,6.908294766887136,7.538463405814636,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_38,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2035222065395819,0.5864063966116437,1.4729314802549265,3.20079288221764,5.119354570824806,6.4538344793828095,7.165920379756324,7.500430508150543,7.626123899386965,2.543002360854448,0.4781297164792401,0.0414473422009931,9.21981292717507,2.8793898013763948,5.808325729107456,0.5957856991077751,4.798848484746918,10.308321855146431,0.6995841418183196,10.16296151484778,0.7993761845629507,25.076316119738795,4.798848484746918,10.308321855146431,0.6995841418183196,10.16296151484778,0.792177895615822,25.076316119738795,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1878,6.016906629947927,6.756865272979952,7.450119958747527,8.098694267451178,8.704173130089945,9.26801040402028,9.791760060530583,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_39,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1212399766927169,0.7602793876380514,2.19510511933919,4.3858314188488805,6.53592868862429,7.967574120719759,8.719931227913117,9.071329798612725,9.203078613286529,3.599229398717063,0.5609723670655007,0.0052887033628484,13.767924836841168,6.350182035419716,7.8983131598946335,1.7018158592737402,1.6696851954207388,3.562222623833644,0.224529407905247,3.465920458662715,0.3436688040100077,12.839014135208634,-0.5756088836317315,-1.3786637524134282,-0.224529407905247,-2.371844146873708,0.1864982184763349,-12.839014135208634,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,6.894443520568442,7.706473690385015,8.513570823809474,9.309841730028918,10.089706663528254,10.84810788680303,11.580754944730504,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_40,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1053862772092634,0.733317028708387,2.210931392550481,4.378619923781847,6.421352272097446,7.75397914065936,8.448074671702274,8.771030850674112,8.891929400159867,3.613138123398015,0.5311933882247382,0.0038927666850177,14.046584329325707,6.241159126606256,8.527863841224864,1.7687681711337782,1.2177753138272174,2.668632033855265,0.1843223673207283,2.222243639412575,0.1344657625935864,8.566468053600877,-0.2896550643940166,-0.6485468998002287,-0.1171637083235185,-1.9321306504528688,-0.0046336933805048,-6.450970295188768,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.621106003602949,8.423460074612754,9.213244260368564,9.985801878967736,10.737083627691,11.463589747376975,12.162442554523643,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_41,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1563800100383167,0.7832132638671133,1.9245894442540508,3.764325288520853,5.716935996374311,7.0573750484315525,7.769199743031608,8.102941655064615,8.228250527849118,3.0808059209714247,0.6056977062875288,0.0093761317396996,9.809276374221223,4.873424992594817,5.444692653335643,1.2778822727378147,1.6297133022847643,3.319619625148697,0.0661944230597436,2.148487060400309,0.5999304018214443,9.44473079054394,0.9754702333747596,1.879923731372648,-0.0646541907222573,0.4420642680530949,0.5533632708290009,-9.396213471913123,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,6.810305174006723,7.5888806638638115,8.363161618768306,9.128029903036374,9.87882253877687,10.61125573342047,11.321542846299058,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_42,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1103523680690382,0.7311531605543313,2.1104472816302016,4.195730411241748,6.292037741890959,7.713141266594008,8.466253897229723,8.819272274633647,8.95182081243246,3.442215211055472,0.5356933379877402,0.0043290025925299,12.74154025274053,5.6685041640176825,7.374261559456975,1.5976828361301871,1.581447376295476,3.4126271372833323,0.1546236355648478,1.8872328855073348,0.3011336095482324,8.605186113413676,0.7003564315805146,1.473740696708935,-0.0215945533781444,-0.8692053584050261,0.1729427023248335,-4.414770024532521,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.526705094687107,8.306150850048173,9.080217817913212,9.84439432133777,10.593645325683491,11.323076124155143,12.02840264155889,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_43,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166694556488441,0.9216689609361955,2.28334079686695,4.235396706910136,6.056946845098917,7.235029050381506,7.845831331878765,8.129444402055551,8.235523966682491,3.547852232440725,0.718866398299538,0.023163984340283,12.271816594506456,6.415499699678882,6.954284399631379,1.891987795200148,2.0042633134374435,4.372410837486378,0.3639230447157769,4.915647671163659,0.2095414656375805,17.299777461502753,-1.6349671337203255,-3.635905001467545,-0.3639230447157769,-4.54635149144654,-0.045204665663463,-17.299777461502753,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,10.072035760551268,10.791716501224885,11.494808048997076,12.17699814057802,12.834499266562286,13.464368487836436,14.064585126436755,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_44,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187111907969806,0.904493704153724,2.2120592916273263,4.397422176949943,6.717461408100883,8.299541044923352,9.135542123820478,9.526492521581126,9.673114155185743,3.583229488147989,0.711345100450178,0.0237560683876049,14.913139613500956,6.407072880505518,8.903725265195847,1.781938101940016,2.452396395330084,5.422029593168301,0.4044250036209671,4.61394405248915,0.1941705456533501,17.589147378704602,-0.8248162324448219,-1.789647209307022,-0.251017521934014,-4.443734965629942,-0.1119380791343695,-12.756811705565578,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.587360027092084,10.34442714532238,11.080487592914157,11.79185435791711,12.47527627575798,13.12828812473182,13.749288813467448,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_45,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1241556069158018,0.8190396605006479,2.358170994961748,4.506650287734828,6.53121535872065,7.866115717085282,8.566033215891528,8.892732653609595,9.01519641419575,3.751791182638741,0.5981332584857805,0.0052439708528907,13.746598381853069,7.017130856049737,7.871742760135299,2.022311013201095,1.3990648847598248,2.947012135378932,0.1520488709702101,2.6154558525215066,0.3381243133538436,10.03630184320333,-0.1214238249422763,-0.3989023357334471,-0.1520488709702101,-1.3378147927039576,0.2316901036746965,-10.03630184320333,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,7.945386896578675,8.700419384227652,9.439449075099168,10.162254099673016,10.867467345806384,11.552951036849402,12.216297120751904,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_46,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2189986290859001,0.9330872049644257,2.207175896714836,3.915354560822991,5.5822633098323,6.716484364521119,7.320965178584149,7.605213162358885,7.712091773185768,3.310642379161634,0.7288376852248112,0.023468365868756,10.76929189405285,5.379416922312351,6.580852602071536,1.8012490074427794,2.412384930522641,5.304989865570136,0.4208086457929512,5.213781356141872,0.2097238509213693,19.02505337803812,-1.3920781411751724,-3.066928955780631,-0.3400839685466114,-4.960359000634632,-0.0969509027206473,-16.482226044778407,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.993465899202254,10.742764437087802,11.465732596315195,12.159621770857488,12.822731339302411,13.45405020516065,14.05310201111552,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_47,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2184573434055734,0.9133626427486884,2.151340827219052,3.880079764846233,5.570592322085001,6.70891670626968,7.31161427469664,7.594148640580085,7.700245347011705,3.264229042530902,0.7169709023151533,0.0236894608882368,10.94473279974202,5.207326176741766,6.746354373674703,1.696907052429855,2.408542147127589,5.298483590618713,0.4224375093718463,5.227884329697199,0.2056100328509537,19.05105491403303,-1.415720166301475,-3.1170044917222386,-0.3424149533139664,-4.995276631420945,-0.1020996071180204,-16.530344398209813,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.93857007536937,10.677973028136227,11.397162502245648,12.092330057781911,12.760273000510171,13.398583427985791,14.005683790659958,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_48,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1083953300845391,0.7255110812164365,2.130806399987909,4.244789324082506,6.299237711502432,7.661310189839467,8.375903712644362,8.709443607244708,8.834464571406036,3.4890035424677395,0.5301333181324699,0.0042189566669607,12.818880303976217,5.899119387127412,7.339136966311905,1.6214338709415197,2.372135610937089,5.218612649452508,0.2441632915941274,2.105794762041876,0.3137962560203619,11.036279705186828,1.515964967601695,3.33456462791952,0.0729291629270486,-1.2300725014542646,0.0953180837262963,-1.0478673877697793,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.634078048047049,8.41087660528066,9.183827374672822,9.947896574768626,10.697583074360674,11.427621581782883,12.133462137497666,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_49,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581099621879862,0.7818347221783705,1.890940785989134,3.6519444733090496,5.505697161895532,6.768352871738292,7.435721628577987,7.747903142564726,7.865001695948573,2.9991859537531016,0.6060266267273064,0.0098326362616552,9.4326111964978,4.595751923672809,5.410227105002583,1.2592574633153892,2.1695904831507087,4.532178552502476,0.1033913173940611,2.067459677083334,0.6486869716549547,10.52624959021226,1.7994354129385717,3.717633072437017,0.0293603033516337,0.6404258219218456,0.5564003063672577,-6.344573536722872,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,6.912956901070699,7.710080647822359,8.498017396970264,9.271608345094322,10.026677680177254,10.75968263078276,11.467644077803778,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_50,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1212259615881211,0.7602484749010531,2.1950691848004045,4.385750269746846,6.535843041747479,7.967501417802308,8.719867820174693,9.07127103960338,9.20302162893336,3.5991607338825524,0.5609400084984271,0.0052885898549781,13.767946026706948,6.349697439663049,7.898540808422496,1.7016438157826903,1.6696404629143595,3.562103840782522,0.2245008163614817,3.4656469938062133,0.3436999814759199,12.838218641801433,-0.5753677007004572,-1.3781533636763916,-0.2245008163614817,-2.371374231592311,0.1865494100228829,-12.838218641801433,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,6.890696456432983,7.702662459165314,8.509846185909574,9.30629111806354,10.086375470084556,10.845014504833244,11.57790104588508,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_51,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1053458994635958,0.7331844483990302,2.2106979832880973,4.378053623371805,6.420304107352289,7.75257297621787,8.44647454261483,8.769339251665174,8.890203392940617,3.612716850157089,0.5310790850809078,0.0038903247487555,14.043068871811188,6.239312988045844,8.526220177269842,1.7683872382234256,1.214274217815455,2.6606171014741355,0.1837942982023422,2.2191165421641323,0.134510135039215,8.550226038429678,-0.2911601490150666,-0.6521695053235029,-0.1172925751637621,-1.9277688422302544,-0.0041211321582114,-6.455421762714405,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.613101200234757,8.415633795436603,9.20567319911023,9.978538390032687,10.730158723469318,11.457017757227252,12.156225633183317,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_52,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1563701173822143,0.7832309117423492,1.924896866763532,3.765120917257808,5.718168396283616,7.058897611241606,7.770877425452097,8.104692601168187,8.230029085633287,3.08143401643636,0.6056969584210135,0.0093743423879699,9.814171335014832,4.875563020685655,5.44678068796928,1.2782499455655567,1.6297576279380055,3.3196615818173085,0.066125114958421,2.147740906821627,0.6000476554700511,9.442959362557383,0.9763762217707572,1.8818618217131573,-0.0645511662750285,0.4434404303949077,0.5535239826966476,-9.393379979030522,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,6.810183909113456,7.588100135470059,8.361907049681976,9.126436319835303,9.87698993646447,10.609259195670855,11.31943935071555,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_53,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1104202153330734,0.7313689179435479,2.1109126104268547,4.196656981065631,6.293302776513861,7.714548566954789,8.46771204781412,8.82074902535769,8.953303730579433,3.442982272213148,0.5358750355431703,0.0043345060722794,12.746590377046596,5.671465278401835,7.376270543079986,1.5983105354471605,1.5818758587795605,3.4135282921505574,0.1545697201899923,1.886267637079879,0.3012986335523461,8.60377545513291,0.7020115020365079,1.4773410221909204,-0.0214031511586181,-0.8674626820618659,0.1731248440646454,-4.409028530644624,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.531251183342706,8.30998782513301,9.083515751633405,9.847270250810327,10.596181694205036,11.325332594596691,12.030423692965384,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_54,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166177725266824,0.9215777638812264,2.283134124809428,4.234942630287162,6.05610153455126,7.233846401736502,7.844451499508798,8.127968393386917,8.234011274677467,3.5475022188174354,0.7187855573310905,0.0231502705845195,12.27076018732556,6.413591350833704,6.954629620527469,1.891725700184212,2.004220552628482,4.3723179557546645,0.3639156716424176,4.915545925767823,0.2095362615901417,17.29941619599077,-1.6349361637956934,-3.635835634885991,-0.3639156716424176,-4.5462615369350345,-0.0452047085595503,-17.29941619599077,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,10.064974488972377,10.784662605190215,11.4878380500852,12.170182092815717,12.82789242332168,13.458009848507652,14.058499102907378,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_55,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.218682926860007,0.9044384682323148,2.211907707133841,4.396989819094728,6.716665811153258,8.298487019776458,9.13435038303057,9.525236265874524,9.671833694319597,3.582913550874684,0.7112991433845252,0.023747148096445,14.909767063364992,6.405693820501191,8.901808618907115,1.7816647789987134,2.454047676129616,5.425839139488307,0.4044994772159674,4.61205052133308,0.1942161036343491,17.588245995619292,-0.8209521156555756,-1.7809682023241813,-0.250500481141071,-4.441945423570556,-0.1120333798280622,-12.737277619260055,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.57981687688506,10.33726099011577,11.073724139784767,11.785502630138703,12.46933188691078,13.12273733392984,13.744112046931512,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_56,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1241252876953658,0.8189390963138135,2.358000777147089,4.506393510117907,6.530887559936728,7.865745675936358,8.56564167017772,8.892331127263379,9.014791149535464,3.751563937664017,0.5980484597773994,0.0052415947921494,13.745594253178757,7.0160259081043534,7.871437526002946,2.0219222698417694,1.398868993016304,2.946589226803514,0.1520177254147774,2.6150107963345244,0.3380922531456861,10.034699473377067,-0.1213082611314705,-0.3986398701658799,-0.1520177254147774,-1.3374500644496905,0.2316798453553419,-10.034699473377067,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,7.942273155659232,8.697298135514977,9.436402199356737,10.159338925686193,10.864719669787863,11.550389707865762,12.213928598074846,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_57,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2189711253643971,0.933081827467794,2.207065185974273,3.914557352474212,5.580473059856276,6.71397635027254,7.318075505919974,7.6021452590600544,7.70895711482906,3.310148641963665,0.7288279928560172,0.0234543253926119,10.76534853508025,5.377550287393201,6.579109752423842,1.8010064661790726,2.4145779676576,5.3100760610248985,0.4210565523555113,5.213653880451933,0.2096654472655355,19.029909869841703,-1.3892900515762576,-3.0605333164362043,-0.3397170514912602,-4.9610912225809765,-0.0972750645129598,-16.467715592617797,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.981207890576478,10.730711719800752,11.45408685889875,12.14850122155468,12.81219514512992,13.444118161892076,14.043768899608,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_58,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2184371425112111,0.9133187373658784,2.151109989610016,3.879163904278828,5.568679527077692,6.706229258236649,7.308494135188678,7.590821311737371,7.696839563390329,3.2636071367249886,0.7169364517166101,0.0236834743898792,10.93866171502734,5.205321157477534,6.742682574697538,1.6965247307601574,2.4051811409087764,5.290952992320491,0.4219836115495506,5.22427928071691,0.2054136346797289,19.03388171459363,-1.4169615798808202,-3.1198708161985,-0.3424449326083689,-4.991677169630179,-0.1019056952461334,-16.528413327946406,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.931887264012982,10.671273791191163,11.390517922106085,12.085806863448738,12.7539250389576,13.39244981140315,13.99979012667007,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_59,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.108425983371334,0.7256350760265756,2.131253885583139,4.245584323411681,6.300137039045856,7.662214476398133,8.376800112483593,8.710334745472013,8.8353535337915,3.489709445851182,0.5302258062260184,0.0042217645586951,12.822317127669765,5.901802686748852,7.340177328775248,1.6220009116263443,2.373865435138958,5.222513604819451,0.2444472373333307,2.108303718256462,0.313832941180962,11.04677005380647,1.5159213586264662,3.334563051361733,0.0728584220308323,-1.2329206884505874,0.0951240261430061,-1.0516417838353325,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.633569669939746,8.410124083625595,9.182904740738737,9.946858792275044,10.696470366723272,11.42646332265534,12.13227987052151,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_60,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581379242503965,0.7818742985233073,1.891042440983991,3.652076509221796,5.505716008037894,6.768243055519988,7.435531717425602,7.74767331853398,7.864756525615034,2.999326369161901,0.6060643022466294,0.0098381410783021,9.433266894885886,4.596455310400317,5.410331105865024,1.2594221137639854,2.1691588098923504,4.531118404406268,0.1031345161219144,2.064356418528023,0.6488947286002428,10.51736817674096,1.8020125917729508,3.723194059831187,0.0297052724980345,0.6448369912477625,0.5567745990219103,-6.332914835212565,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,6.90830511939634,7.705312747170598,8.493222894305175,9.26684976979757,10.02199901980442,10.755114801190825,11.463208486435562,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_61,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1211995367209612,0.7601641013474871,2.1949406900782744,4.385600046518639,6.535653800248742,7.967273225697488,8.71961560364208,9.071006858536126,9.202752847280156,3.599018984526015,0.5608694361584576,0.0052859004681525,13.768031887968464,6.3490504058022745,7.898771932882835,1.7014625420705816,1.669569246448536,3.561934594319077,0.2244744515532758,3.465364858874743,0.3437168098752615,12.837335263308196,-0.5751752690842223,-1.3777424388255666,-0.2244744515532758,-2.3709708815104293,0.1865846937879685,-12.837335263308196,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,6.895042777284875,7.707050972686829,8.514187970192205,9.310527822925708,10.090470608213792,10.848946828538049,11.581659753223198,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_62,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1053592801604119,0.7332146648630122,2.2106618802778857,4.3779800239340565,6.420300957666588,7.752650678902786,8.446601777327173,8.76949094182002,8.89036444740771,3.612641043979235,0.5311102533892658,0.0038912243059008,14.044198324631354,6.238925235745771,8.527303165661088,1.768313504235007,1.2145123829423314,2.661157099764353,0.183888060015185,2.2204024194172978,0.1344780998302367,8.554057402781464,-0.2920721860334372,-0.6541605866644128,-0.1174288537799687,-1.9293246817429588,-0.0042124231156751,-6.460592406372149,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.609047566058562,8.411966662175152,9.202383171689796,9.975600342112951,10.72754068822634,11.4546860295757,12.154147536063126,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_63,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1563752270953446,0.7832390225879432,1.9248585116929635,3.764985913279751,5.718029240450207,7.0588027287220765,7.770816985737721,8.1046503869994,8.229994019757942,3.0813254705487503,0.6057056813553103,0.0093750634016305,9.813191724380914,4.87538607416153,5.446269670107455,1.278190069462076,1.6300275789223098,3.3203513457283504,0.0662659223556605,2.1490791870569783,0.5998972193986795,9.446975788468892,0.9752796201590014,1.879544415575835,-0.0646836693970011,0.4411966089170692,0.5532737358059181,-9.397134820271122,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,6.806361546449986,7.584981630763696,8.35936089224794,9.12435848860206,9.875296479643668,10.607881606688103,11.31832143963913,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_64,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1103927008060163,0.7312814915596849,2.110797230581568,4.19660697783354,6.29338464054025,7.714746137123301,8.467978063547603,8.8210486640496,8.953616236093273,3.442899111040041,0.5358005068254177,0.0043322992584467,12.746054059569596,5.671280230858437,7.375764091225199,1.5981468389812663,1.582429870980596,3.414868975367501,0.1548674342259152,1.8898730837410165,0.301074079366988,8.614221939586393,0.699110000897802,1.4710776686170683,-0.0217965397906435,-0.8725067089976989,0.1727062412435567,-4.422488764875339,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.528609088359028,8.30765914987247,9.081460807271595,9.84544953432558,10.594559685138885,11.32387896118745,12.02911321714782,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_65,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166150057936884,0.921596414497153,2.2834485934117024,4.235496330321311,6.056598263376428,7.234210774861736,7.844726266826947,8.128197535157666,8.234222753104024,3.548012889732643,0.7187830200219179,0.0231530907903163,12.271300736446618,6.416864920864546,6.95339121527195,1.8920273336599869,2.0041402448799346,4.372088444729108,0.3638484082140926,4.914927510592675,0.209626643570147,17.297669388681527,-1.634343837260992,-3.634584979194271,-0.3638484082140926,-4.545131102973733,-0.0450672421797176,-17.297669388681527,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,10.070927459515003,10.79077197781635,11.494027458719424,12.176376613600285,12.834027171626463,13.464032892235242,14.064371354577055,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_66,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187031295726563,0.9045020939410566,2.212118232618725,4.397396557062086,6.717121922339438,8.298916501295318,9.13475224836019,9.525622606909796,9.672213824071315,3.583266950903271,0.7113494474449521,0.0237502042174854,14.91212205461428,6.407026525947833,8.902757741902239,1.781979463517518,2.454855507227476,5.427662734922498,0.4046796754248093,4.61404745159096,0.1942017329785583,17.59523986425788,-0.821765919138482,-1.7827130981099628,-0.2506446098483821,-4.444290986478025,-0.1121792996552721,-12.74313529860042,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.580448618149532,10.337978021015587,11.074495751838208,11.786304139145948,12.4701443628925,13.1235467515438,13.744908329521106,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_67,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1241506173101645,0.8190006271200949,2.358093914941853,4.506666195106996,6.531404902256867,7.866425298514681,8.566402600405517,8.893128848824649,9.015602458270664,3.751757577142115,0.5981051199298391,0.0052437299964936,13.748180434481364,7.017098803952623,7.87279596169256,2.022107472511477,1.39920856415051,2.9472811197801168,0.1520318551433446,2.615463405297267,0.3382196343406657,10.036679923619443,-0.1211099872829366,-0.3982589092138578,-0.1520318551433446,-1.337364828429694,0.2317973357403245,-10.036679923619443,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,7.9416476016333775,8.696602525792064,9.43568549308794,10.15863059516998,10.864036567362566,11.54974074194119,12.213317780073863,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_68,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2189864351172522,0.9330442641909014,2.20712894564655,3.9150612085908665,5.581374694045622,6.715069069810879,7.319243491981268,7.603342607492543,7.710164539546411,3.3104855285237527,0.728800941105348,0.0234676877782613,10.767168639327537,5.379378717376685,6.579337479702162,1.8012574953647025,2.4136333476199874,5.3078761615125405,0.4208712554241946,5.212403838190534,0.2097482592273417,19.024507282181805,-1.3892223831769508,-3.0605056226041247,-0.3396998907351931,-4.959120838293011,-0.0970373242729444,-16.467609294478255,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.982465492380292,10.731937951862928,11.45525361060118,12.149594964654677,12.81321155233659,13.44505829681018,14.04463672795811,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_69,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2184827485892397,0.9133659809067928,2.151136085069868,3.879288188222088,5.569086198580015,6.706899950544452,7.309322170785157,7.591726609565486,7.69777440587253,3.263672103133689,0.7169867423226561,0.0236987447535696,10.940292940042044,5.205596919500104,6.743925304111121,1.6966130994381072,2.407640491682612,5.296381685049272,0.4224318744036493,5.229743357355719,0.20559062429173,19.053648756198964,-1.418569588385248,-3.1233925590642184,-0.3428101416099225,-4.997078915598761,-0.1020549477098833,-16.545564173196567,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.935517910715244,10.674867895931204,11.394080724857378,12.089328318519462,12.757389806315134,13.395842357095734,14.003097032068004,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_70,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1084075855425742,0.7255671800320455,2.131291847021798,4.246190729401539,6.301418776611774,7.663933793882051,8.378738896570527,8.71237313875756,8.837428777054717,3.490083272011446,0.5301692017952436,0.0042202415991521,12.82613916629524,5.9034731792418125,7.341814116200986,1.6220505815998003,2.3747508635684835,5.224463608299732,0.2446511012395246,2.111064464492504,0.3138746377274255,11.0559029480816,1.5145935718819352,3.3316427597643146,0.0726196429022149,-1.2357920983886106,0.0950282552384974,-1.061874507616802,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.634995949279822,8.411779751691745,9.184748832793538,9.948851681433874,10.698575044031578,11.4286463708354,12.134511997267936,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_71,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581106239303923,0.7818312585920811,1.8911199929994489,3.6525354294939145,5.506669756171529,6.7695688516656,7.437064079750717,7.749304541353443,7.866425190001868,2.9996298683110783,0.6060187898354895,0.0098341278493985,9.43617995095407,4.597746925837476,5.411194896596187,1.2594706194572631,2.171050409055547,4.535471660004505,0.1035029264049264,2.067302808031384,0.6487950309503299,10.529327970412789,1.8015718680516928,3.7224149176413897,0.0296072182041555,0.6407730952895759,0.556376460775519,-6.336358415226703,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,6.9185242693918125,7.714840829374582,8.50215072927266,9.275245940163623,10.029916756922562,10.762596396974317,11.470288369582644,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_72,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1212213523276433,0.7602274214282987,2.195032283937562,4.385774150982629,6.5359409426864215,7.96765117959918,8.720046200791698,9.071463185291105,9.203219006081106,3.59915895946705,0.5609260103340235,0.0052874207289784,13.767999333481852,6.349807800066556,7.898572257280042,1.7016767970512627,1.6696895301687846,3.56222165883662,0.2245201133624979,3.465850437068768,0.3436874174604561,12.838849918093883,-0.5755116034561946,-1.3784601861640962,-0.2245201133624979,-2.371672510356177,0.1865233381067076,-12.838849918093883,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,6.8938082291909,7.705753002775016,8.512803072104932,9.309053190790769,10.088915195971838,10.847325509706076,11.579989624027926,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_73,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1053766282606009,0.7332794913968856,2.2108523504924524,4.37847068620046,6.421147931584963,7.753747955999053,8.44783220846623,8.770783728524997,8.891680626561424,3.6130133002519313,0.5311623857164406,0.0038922753041831,14.045784806802995,6.240638195603577,8.527526730290514,1.7686402120814744,1.2177908161923183,2.668668843011255,0.1842960976667119,2.221738416478955,0.134480937063598,8.565221568746253,-0.289155031155474,-0.6474438552616238,-0.1170930718028464,-1.9315313771488336,-0.00460678518268,-6.448326254034489,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.621436064294897,8.423847938091438,9.213677917792074,9.98627078787012,10.73757855291591,11.464102674525831,12.16296662192944,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_74,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1563884424899157,0.783245251758046,1.9246921397633383,3.7644609336528334,5.717044519483884,7.057453592744707,7.769260884053464,8.10299443539701,8.22830014424453,3.080940198629246,0.6057215942361956,0.0093770257124373,9.80978641794248,4.873748361782567,5.444996775913476,1.2780001331667803,1.6296660364618951,3.31951554099528,0.0661791289223307,2.148261212877957,0.599930038314172,9.444043990852304,0.9756160722118622,1.880244584064941,-0.0646308639276758,0.4423123783465789,0.5533724083193423,-9.395273643520676,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,6.810947982985263,7.589352092071304,8.363502300191625,9.128270238855592,9.878985588756551,10.611359176547962,11.3216003414425,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_75,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1103934219799405,0.7312687408841169,2.110591380016132,4.195888652383042,6.292218053188832,7.713338258462361,8.466459816447042,8.819482363103823,8.952032461756653,3.442367306444269,0.5357953116097908,0.0043324459716541,12.742144817825384,5.668946381807863,7.374617762006029,1.5978855962335348,1.5813149699475455,3.4123298510332734,0.1546434229706338,1.8877637917467325,0.3011042224253238,8.606218435523846,0.6996654273596964,1.4722141867924958,-0.0216864855469361,-0.869874299964618,0.1729102857323255,-4.418074906677372,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.527365410571475,8.306832478181382,9.080961962609855,9.845216564863412,10.594545312339491,11.324044630808796,12.029426329622742,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_76,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166196257600791,0.9215934881623906,2.283279239862194,4.235284493211851,6.056731632895468,7.234734101672999,7.845492909935235,8.12908546120524,8.235157306834234,3.547767500756399,0.7187915554427805,0.0231515206120178,12.270799985557597,6.415220122406914,6.953662224973697,1.8918438999705465,2.0044277630955523,4.372772124198954,0.3639553591811318,4.916070636544606,0.2095540561128986,17.3012459991004,-1.635125828715765,-3.6362548113686257,-0.3639553591811318,-4.54676870216482,-0.0452146953138933,-17.3012459991004,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,10.069879464775353,10.789680487013444,11.492881216089886,12.175172631769204,12.832769050682732,13.462728500648565,14.06303078703353,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_77,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187358766203137,0.9045190965466776,2.2120343563969165,4.3973242552057314,6.717313351502173,8.299366199000008,9.135354321566211,9.526298839787176,9.672918291293634,3.5831547942347126,0.7113741997105227,0.0237632372457482,14.912350019808956,6.406801997212252,8.903242058537234,1.7818974041927855,2.452158748838676,5.4215000888561065,0.4043582815012631,4.613048506580625,0.1941750938558907,17.586305531814812,-0.8242979988395588,-1.788513360160728,-0.2509330680343837,-4.442727284516862,-0.1118894852150251,-12.753411307608108,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.587987296245894,10.34504655471241,11.081093510424015,11.792442596575713,12.475844050820678,13.12883379362357,13.749811590693325,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_78,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1241381439606577,0.8189781750576415,2.358040360304252,4.506445714056242,6.530946141426882,7.865801430395343,8.565694201782723,8.892381831817127,9.01484112290266,3.751610910523404,0.5980834418252982,0.0052424575216191,13.74581433956275,7.0162960082092125,7.871462074017127,2.0221364328633773,1.3989413053794306,2.946739402987314,0.152023404143388,2.615128538526536,0.3381166535242334,10.035174609764915,-0.1212927360544498,-0.3986146573580947,-0.152023404143388,-1.3374799692015544,0.2317002706238619,-10.035174609764915,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,7.945297896461377,8.700404658805443,9.439496713905722,10.162352555631117,10.867606196347758,11.553121235062497,12.216491004898351,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_79,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2189798226995625,0.9330725310365248,2.2071758185061663,3.9153598873171793,5.582240843100993,6.716432402205553,7.320895460992219,7.60513473850925,7.712010024916321,3.3106503884860907,0.7288219244795404,0.0234600413920975,10.768994728610922,5.379522752823204,6.580417541703979,1.8012367715775737,2.412499944100188,5.305266351664151,0.4207917455244063,5.213153322070893,0.2097262889819666,19.02372740926881,-1.3913599495549145,-3.065325145038371,-0.3399802332066141,-4.959722694544644,-0.0969496597327862,-16.478164771258353,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.993477231703864,10.742835817533908,11.46583465216098,12.159735018755663,12.822843394536816,13.454153640586144,14.053192773847888,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_80,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2184042271049014,0.9133229476003932,2.1512958938256546,3.879972089631052,5.570410221000034,6.708684411326367,7.3113559471285186,7.593878276204359,7.69997049207784,3.2641467355085285,0.7169260263712952,0.0236689969370191,10.944062898036083,5.206992788565628,6.745982110454346,1.6967921399376145,2.408932623769956,5.299376306447419,0.4224833691734587,5.22801355317321,0.2056146925608858,19.0523092977876,-1.4153396222614782,-3.116133633101544,-0.342371080032828,-4.995487298500725,-0.1021405092316295,-16.528772189857733,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.93774203231699,10.677340573868872,11.39668164198048,12.091967312970796,12.760002699998054,13.398385746493446,14.00554331759379,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_81,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1084117079314178,0.7255718581338314,2.130917040575809,4.244937493593961,6.299433067650011,7.661546201738559,8.376163720611164,8.709715384938045,8.834740849564417,3.4891383034289194,0.5301824671561665,0.0042202501096873,12.819547794269493,5.899505683904533,7.33961856512163,1.6216531194243005,2.371364499198891,5.216879895888171,0.2440842893903784,2.1054598994905533,0.3137420451425671,11.033591074235655,1.5152208301746526,3.3328912327295463,0.0728555555855308,-1.229803097388148,0.0953420658229159,-1.049985957494514,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.63590505114352,8.412646501038322,9.18556300229186,9.949605798909474,10.69926521574058,11.429271866185571,12.135074468617638,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_82,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581449148339797,0.7819032520906615,1.8910168254665256,3.652040904808555,5.505825335847228,6.768503145104577,7.435883240822393,7.748069946026601,7.865170426432289,2.99927281256055,0.606090694773079,0.0098379912015635,9.433118932542197,4.59600199652725,5.410617002935858,1.2593570641691345,2.169548932372499,4.532104425588715,0.1034090497744305,2.0676499462785,0.6486473688724084,10.526627812035391,1.7991522805492248,3.717027332625706,0.0293297194097757,0.6400329593932649,0.5563502186526761,-6.345356582732898,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,6.915163125648283,7.712046546143059,8.499792381013695,9.273229921231486,10.028174024652555,10.761074779005762,11.468947718428389,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_83,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1212203331321102,0.76022692869466,2.195015357953471,4.385643037091869,6.535692591371139,7.967330240725799,8.719688278426645,9.071088158568184,9.202837586426934,3.599072356133638,0.5609232126406972,0.0052879390701481,13.767163513433022,6.349369695397249,7.898132481366778,1.7015561486367614,1.6696175727807667,3.5620563035703925,0.2244989824721729,3.46560943255815,0.3436933562003552,12.83806751334729,-0.5753722519409628,-1.378160545200659,-0.2244989824721729,-2.3713641117183464,0.1865440684698343,-12.83806751334729,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,6.888397344704677,7.700520733780164,8.507837854377746,9.304398383828792,10.084585269454546,10.843317174962856,11.576289259069071,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_84,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1053295738033735,0.7331407364200945,2.2106223135724474,4.377941587384509,6.42018098464612,7.752453516295884,8.446359851977357,8.769227381688744,8.890092672364839,3.6126149057426,0.5310406629151366,0.0038889502048695,14.04262980730048,6.238898208109763,8.526127458155583,1.7682662450608206,1.213907769405406,2.6597738096665644,0.1837421452276537,2.2188857339962555,0.1345180275620042,8.548772387273413,-0.2913999705637167,-0.6527341481379683,-0.1173194027661708,-1.9273939885386533,-0.0040648854665757,-6.456455999736706,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.614563882922757,8.417085901336055,9.207103333624556,9.979938993539704,10.731524681135046,11.458345558627434,12.157512883302312,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_85,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.156359884745975,0.7832087427107874,1.9248595019933683,3.765032931781215,5.718029995162728,7.058730803441791,7.77069736604282,8.104506717230317,8.229841074877319,3.081365698130944,0.6056765325059279,0.0093730699914453,9.813668293930846,4.875291798788274,5.446528545170408,1.2781967676546364,1.6298435744074242,3.319869568625428,0.0661725080230075,2.1483217568440387,0.6000125351117468,9.444634622289552,0.975905552568382,1.88084494679148,-0.0646150963448009,0.4426319591888055,0.5534581677439107,-9.395576154426047,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,6.809557929010379,7.587612317215001,8.36153072267593,9.12615100236019,9.876779243969382,10.6091097055558,11.319339938796988,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_86,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1104234377230775,0.7313702135192123,2.11089659572966,4.196634662258994,6.293279531220657,7.714524857709947,8.467688150373522,8.820725064506565,8.953279750903535,3.442960825633151,0.5358785240894752,0.0043348487945748,12.746213414808366,5.671354810815145,7.3760257758425025,1.598262497870509,1.5823710607914294,3.4146637413643552,0.1546548951237319,1.88687871712542,0.3012841151752441,8.606500765888132,0.7020588985940136,1.477491052216507,-0.0214075373157512,-0.8682986569157941,0.1730385849174347,-4.40920899493674,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.53084988719411,8.309628502251671,9.08318079704787,9.84694816088602,10.595865751412102,11.32501944989098,12.030112169536205,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_87,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166292640215733,0.921578871279745,2.2831445676082422,4.234901383248999,6.055962148903997,7.233632921937868,7.8441982443910945,8.12769651741083,8.233732419232343,3.547487941197184,0.7187870133801111,0.0231572318392471,12.270153868370013,6.413680057846497,6.954161736769135,1.891709166157288,2.004111409942202,4.372058317213452,0.3638749641567224,4.91511112319598,0.2095640196304251,17.298056332845455,-1.6346382316250223,-3.6351994840365855,-0.3638749641567224,-4.545637944878802,-0.0451484552792802,-17.298056332845455,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,10.062630723055568,10.782534039824473,11.485892146769098,12.16839421536204,12.826243273977104,13.456483830121082,14.05708326382473,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_88,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187816805577863,0.9045451596772424,2.2119381717449227,4.396981850379008,6.716676209553791,8.298521315080807,9.134398800863003,9.525291477044384,9.6718914746653,3.582909629236753,0.7114140542246656,0.0237779001733156,14.909613952679267,6.4057574525000325,8.901743386903178,1.7817439228797491,2.453927063117188,5.425581877759919,0.404442890546668,4.611085613223461,0.1942180522728038,17.58550422126112,-0.8202271464444431,-1.779364716399346,-0.2503879513656581,-4.440907618770312,-0.112000211987015,-12.732773637059314,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.579565833219752,10.33707252533484,11.073587689188503,11.785409090991228,12.46927357656301,13.122707814555602,13.74410593573828,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_89,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.124115026843222,0.8189198531577491,2.3579533954761405,4.506323731946663,6.530849438666377,7.865748173116408,8.565669885309068,8.892372204967634,9.01483717759391,3.751495015541048,0.5980304442995092,0.0052405604458668,13.745591637972735,7.015690787866517,7.871611509875281,2.0218635196461627,1.398937826549994,2.946745977478004,0.1520366279199431,2.6152308499095382,0.3380870012725714,10.03542169114883,-0.1214284526494368,-0.3988990789468618,-0.1520366279199431,-1.3377214760089815,0.2316613617286114,-10.03542169114883,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,7.941863170609414,8.696931773848874,9.436083439213991,10.159067056275282,10.864491582531244,11.550201200025477,12.213775115234904,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_90,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190538858531718,0.9331531697531132,2.207085859781248,3.914552473304108,5.580432574895854,6.713901156809806,7.317978956516577,7.602038072756426,7.708845837369399,3.310152314666425,0.7289092580612986,0.0234830340272172,10.764900823735864,5.37776161301917,6.578681428859262,1.801087387401694,2.414870017170496,5.310749245454738,0.4210886611797498,5.213659967246102,0.2096633767739228,19.030616436801324,-1.388931352225294,-3.059713465571907,-0.3396716126994081,-4.961183262864148,-0.097311243323953,-16.465979409670556,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.980411876516715,10.730083217724584,11.453580174377198,12.148083376855343,12.811842440071027,13.443813621869229,14.043500397012846,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_91,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2184390089807676,0.9133018561831582,2.151062960804905,3.8790439863738055,5.568456779900755,6.705925385212256,7.30814453867162,7.590449735904864,7.696459651927598,3.263517523147426,0.7169238990643342,0.0236870892540404,10.937939442515974,5.205085046265818,6.7422505530286125,1.696472208399793,2.4049984188708446,5.290524085521277,0.422005067275925,5.225084053110084,0.2054000481408077,19.035495115383167,-1.417941608196862,-3.12205423692262,-0.3425829381376162,-4.992537469250035,-0.1019168183230859,-16.53369804752644,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.933156995512933,10.672529789340784,11.391757169500291,12.087025895478362,12.755120395702502,13.39361830918116,14.000929013893666,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_92,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1084167308963633,0.7256139910555243,2.131233081642004,4.245604160623396,6.300207900400282,7.662318562224841,8.37692090265414,8.710463130508368,8.835484731061669,3.489711989146871,0.5302073849343063,0.0042204784965419,12.822254580931322,5.901779080178413,7.340159949769943,1.622074808476852,2.373882891483005,5.222531577365764,0.2444545694626027,2.1086095610351965,0.3138570503893121,11.047594710856314,1.5157014012488563,3.334058582668028,0.072818271415773,-1.2331172566479045,0.0951479256337339,-1.0535002231874788,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.632782952248265,8.409424506372439,9.18226756239066,9.94626868260666,10.695917962965146,11.42594291418452,12.131787900596988,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_93,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581444456978339,0.7819068284129895,1.8910904435926368,3.652115991306758,5.505735687117877,6.76824686589611,7.435526619275342,7.747663946694554,7.864745534223429,2.9993710142873904,0.6060910792727895,0.0098379427137192,9.433218782804394,4.596587524043311,5.410219620130076,1.259461700262148,2.1693729012907115,4.531620824118855,0.1031882841350248,2.0648121682099863,0.6488642491423803,10.519029316168822,1.8018236357696944,3.722809552778049,0.0296784310308214,0.6441505747748797,0.5567024429729859,-6.333727788444665,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,6.909477666798417,7.7064255832499615,8.494275590333993,9.267845976484338,10.022943379987444,10.756011684263775,11.464061603256038,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_94,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.121245021238362,0.7602787346481598,2.1950337314527806,4.385628174894987,6.535636676709152,7.96723034800013,8.719559545411885,9.070944636567324,9.202688307559168,3.599067828738487,0.5609743304404659,0.0052900720035168,13.767638738740049,6.34918120799442,7.898560182582632,1.701638925827463,1.669419369718563,3.561592469679417,0.2244324794139243,3.464879205029958,0.3437303319141095,12.835746436871302,-0.5749054244206807,-1.3771609447132844,-0.2244324794139243,-2.3703652597320755,0.1866275963243627,-12.835746436871302,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,6.894471416147962,7.706614479644326,8.51384529792443,9.310251317360438,10.090241584852045,10.848752569910769,11.581491512405584,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_95,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1053626159607281,0.73321904957844,2.210651275709828,4.377984089614398,6.420368799375732,7.75277590682142,8.446759913935121,8.769664909928826,8.890544414826005,3.612632631930505,0.531115678367953,0.0038914510581807,14.044191318109194,6.23891850440086,8.527319290562815,1.7682933733080768,1.2142727855123034,2.6606144917763808,0.1838140046832725,2.21946157062851,0.1344968362151541,8.551098515184178,-0.2914935096418691,-0.6529025405577247,-0.1173392543475619,-1.928192422947326,-0.004144179613493,-6.457143879609295,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.6087709221233215,8.411630342305543,9.201994943650176,9.975168807301538,10.727074561231415,11.454193622718988,12.153636436507073,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_96,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1563686432718675,0.7832341315179693,1.924852217984685,3.76492044276293,5.717892281648528,7.058624966126086,7.7706208331346,8.104446390272926,8.229787204219656,3.0812856897273577,0.6056993152528412,0.0093736964383082,9.81262303475415,4.875197638168076,5.446038480607649,1.2781842876582212,1.6299621970752345,3.32020890093803,0.0662587260533389,2.1489999622479488,0.5998877136424196,9.446617395218386,0.9752549674375572,1.87949159734438,-0.0646827198741964,0.4412451435629896,0.5532702044782108,-9.396973200575395,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,6.80648555936087,7.585158683867075,8.35955250487139,9.124542134831367,9.875459976154634,10.608019301651932,11.318431676491407,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_97,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1103906614391999,0.7312878904337391,2.1108020821442137,4.196562395643048,6.293288730643571,7.714619528340383,8.467836406928031,8.820900210290127,8.953465269698544,3.44287405919634,0.5358036682289508,0.0043318463533126,12.745591545511642,5.671035313772662,7.3756629976190675,1.5982048393318466,1.582263897782286,3.414479991684673,0.1548551442190358,1.8900352946445031,0.3010790662451055,8.614242998431967,0.6987622819419769,1.4702887439440504,-0.0218451789490259,-0.8726037849853342,0.172728970501279,-4.424429092426657,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.525281012682234,8.304610212503148,9.078618366589552,9.842767315333674,10.592009110598289,11.321442775048718,12.026781066461323,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_98,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166597055866897,0.9216501950477684,2.283498086261505,4.235476399691909,6.056466893058044,7.233997397761283,7.844469105013684,8.127919900003963,8.233937446236668,3.548025568756453,0.7188363966029736,0.0231678154682183,12.270468781346956,6.417026763070049,6.952737900810688,1.8920870743849,2.0041599881652554,4.372123540077572,0.3638442572624853,4.914914046265138,0.2096432123663784,17.297685086075983,-1.6342825844595985,-3.634458539997195,-0.3638442572624853,-4.545036642559481,-0.045047767717361,-17.297685086075983,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,10.070173778637944,10.790024122108257,11.493292108478954,12.17565844057068,12.833329342306724,13.46335744637098,14.063719492745594,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_99,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187113172205045,0.9044837364563398,2.212042754697172,4.397345787492161,6.717164840076156,8.29903003806738,9.134902309902142,9.525789356226614,9.672386756222924,3.583194224373053,0.7113406111863202,0.0237551269844481,14.912110955261422,6.4068591970557485,8.902807173973478,1.7818646354729233,2.454570011826046,5.427036254507015,0.4045453110154824,4.611921335468,0.194229004240639,17.58915614220069,-0.8201608379845603,-1.7791792665054142,-0.2504008589466387,-4.441884456280529,-0.1120743812805248,-12.733605902032116,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.58036122376474,10.337992338468622,11.074588116004,11.786455664480874,12.470339982705,13.12377446604865,13.745158613002358,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_100,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.124123950316979,0.8189176646964242,2.357966987296901,4.506561751511229,6.531346601521393,7.866395511317358,8.566386147269073,8.893118199080387,9.01559391394534,3.751638960716686,0.5980348099625095,0.0052416164958568,13.74825694582345,7.016576089628665,7.87299437211452,2.021943648637972,1.399280607017,2.947446148861335,0.152052607120695,2.6157014639825604,0.3382115533023694,10.0374551774989,-0.121245464189951,-0.3985505381852628,-0.152052607120695,-1.337666321155511,0.2317747283178829,-10.0374551774989,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1878,7.941340681148322,8.696404497761593,9.435567561343442,10.158571309174604,10.864019841166442,11.549754499671094,12.21335297718274,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_101,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190041122556918,0.9330695089375244,2.2071422998808647,3.915016338441311,5.581215605642182,6.714813729058663,7.318933268423045,7.603005951105293,7.709817855884618,3.3104693213676684,0.7288267504864082,0.0234718564736257,10.766596408759929,5.379460870878788,6.578774494443792,1.80128521253109,2.413421490258856,5.30739308587997,0.4208508151781099,5.212400361801958,0.2097415188915204,19.023995512303333,-1.3894954830352622,-3.061123465536347,-0.3397325794807134,-4.959097593703634,-0.0970217870877657,-16.468771087835343,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.983265376774892,10.73264705854558,11.455889573312351,12.150171648303656,12.813739570588538,13.44554567533073,14.04508952521278,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_102,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2183999904644784,0.9132540633958048,2.1510587632381526,3.879228244496375,5.568974203105842,6.7067245675236125,7.309106405861174,7.591490547082424,7.69753051353856,3.263614729345265,0.7168745438359686,0.0236752372696141,10.940097626390257,5.205369305371703,6.743734918357031,1.696459735331444,2.4072328412555266,5.295471796775713,0.4223702245769181,5.229156438892583,0.2055663530193249,19.05118475758611,-1.4185849766720209,-3.1234392541003864,-0.3427933390085912,-4.996488987208182,-0.1020293370197664,-16.54451286218382,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,9.936532069168411,10.675810277016367,11.394955593373036,12.090139536315132,12.758141183236194,13.39653776017426,14.003740371968949,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_103,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1084114849919025,0.7255744153790532,2.131257373717048,4.246059590667,6.3012372810484925,7.663744714911056,8.378552702182946,8.71218971749455,8.83724661518192,3.489983253939627,0.5301766505335219,0.0042207406128386,12.825255561308284,5.902918202103803,7.341614294041205,1.6220422492492774,2.3740234512620324,5.222800283376004,0.2445636171539486,2.110790371564096,0.3138680460392762,11.05348155585607,1.5139172918150638,3.330091953992658,0.0725423852645549,-1.2353566514627847,0.0951076136687366,-1.0646424796732066,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,7.633719984445131,8.410480706732077,9.183409059579052,9.947470227446487,10.697160088069062,11.427210155310393,12.133067709101995,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_104,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581160545675194,0.781823610648752,1.891077774582993,3.6524358448367,5.50652191936991,6.769392433369411,7.436873489252003,7.749107504621325,7.866225763114849,2.9995500263726727,0.6060153527770099,0.0098363433339268,9.43547703256046,4.597359200374841,5.410865652782852,1.2593837787765438,2.1706983982514747,4.534666666841147,0.1034816247842753,2.067543260100887,0.6487791073088441,10.529103564707704,1.800887962140714,3.7208795720367394,0.0295195375621232,0.6405320580005147,0.5563917956078915,-6.339566950796146,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1878,6.919175691160951,7.715632611811481,8.503045451681283,9.276215108789076,10.030937905115564,10.763651419684072,11.471362542767949,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_105,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0891630770451942,0.5664815346523117,1.8298589558019505,4.019953764433625,6.2732680142016575,7.793025474958627,8.594358463996423,8.96899425494877,9.109499048759714,3.2141311951004337,0.4119193224620906,0.0041103483174027,13.25703351523252,4.762778512686643,7.785128059741165,0.938434713639697,4.983057834363963,11.010290939042616,0.5701420592998777,5.313454283838541,0.7266143762649223,23.78243741686372,1.0631038335844831,2.6855229480233387,0.0807410214577292,-5.125240342708555,-0.6513287998129285,3.2653261975278585,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1878,9.95364117877567,10.868888089703198,11.745411888877111,12.57924807451146,13.367506424763144,14.108539213460132,14.80189375234345,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_106,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0895046693284488,0.5814295023170581,1.9423158657506177,4.242235405971667,6.527668229106678,8.044867320484753,8.840072351538728,9.210982216883298,9.34996520069408,3.407886877855368,0.4193193674296474,0.0041269920344733,14.00882341980215,5.596902235605851,7.975322613296825,1.1183184492896414,5.541073847768265,12.278545941286149,0.6452127321392446,5.790332057546463,0.7636939939561209,26.2220106683837,1.3741670884956705,3.41456617343245,0.1105478289893336,-5.6769361714397295,-0.7183356395134279,4.2684351118536,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1878,9.774003140741192,10.683843578556896,11.558733361101416,12.393719557919765,13.185154396089231,13.930803720176357,14.629760211770153,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_107,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0891876530385517,0.5665524720714694,1.829992451472802,4.020278117705564,6.273780919190852,7.79364444610856,8.595026531187413,8.96968374596003,9.110196331446272,3.2143819194779404,0.4119816471726315,0.0041124686662743,13.25912273458011,4.763596021618902,7.78623235034313,0.9384758402155,4.984615283507929,11.013818944711533,0.5703600775831412,5.315031309847078,0.7267165891890891,23.789619002536785,1.0638339639304946,2.687225021628312,0.0807883215439327,-5.126917654552321,-0.6514711270711863,3.266180484494651,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1878,10.004863417125982,10.915058737500134,11.787217020858266,12.617256999650484,13.40219348435686,14.140302354705506,14.8310695010535,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_108,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0895437333436443,0.5815288384463031,1.942532656589579,4.242574550886931,6.527989541034765,8.045118350538932,8.840272095972779,9.21115508970967,9.350127551825514,3.408199137331928,0.4194054935376207,0.0041307241349981,14.01037583107055,5.597849987109576,7.975880029496668,1.118394707735345,5.54119876848947,12.278795044792018,0.6453051628382473,5.792028624019768,0.7636585709743545,26.22490390231527,1.372950196484081,3.411817005105506,0.1103273674964729,-5.678572432058698,-0.7182760941899271,4.258511128838943,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1878,9.77102953500822,10.681357853728034,11.556716147792685,12.392128694992252,13.183937614507196,13.92990679795148,14.629131655031332,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_109,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0891729098299345,0.5664891551811652,1.829700750133703,4.019618123680489,6.272960851638641,7.792816298920438,8.59421914280337,8.968891174367537,9.10941010038388,3.213832977809291,0.4119353828237586,0.0041111494004922,13.256186280927563,4.761755292633735,7.784961302922248,0.93798577095485,4.985101460539415,11.01500671503631,0.5703919276184016,5.314151559788567,0.7267039483155328,23.789750289984216,1.065344579921681,2.6906474399443825,0.0810058141813001,-5.126285195524787,-0.6515574026100212,3.27497393118126,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1878,10.001138638613046,10.911031029088162,11.782980078593944,12.61289160253461,13.397767414752472,14.13587097293181,14.826676805872683,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_110,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0895165427775602,0.5815305761473076,1.942837971141224,4.243340965399805,6.529185174642656,8.046588852748032,8.841882983716404,9.212830520684266,9.351827009265357,3.408803794153536,0.4193808385281438,0.0041280213885099,14.014301000776957,5.600584159672777,7.977403689481589,1.118818805138511,5.541041492595983,12.27842078140018,0.6452608324744701,5.791644738069572,0.763678120515844,26.22388104151188,1.37319446768465,3.4123147626850785,0.1103520004981716,-5.677924274542716,-0.7181899351051011,4.258925444825657,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1878,9.756091623503108,10.668130174614491,11.544998898718417,12.3817350680034,13.174698569600864,13.92167246178634,14.62177089842629,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_111,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0892079122970401,0.5666009010253246,1.8300039594938584,4.020102335720933,6.273429884341428,7.793203715743094,8.59454751750329,8.969188841241255,9.109695785485384,3.214278087216254,0.4120256318721984,0.0041144345580872,13.25740546791637,4.763179424234367,7.785292330019993,0.9386059201684668,4.983238507122362,11.01068840068294,0.5701790315923817,5.313938791525441,0.7266246404548636,23.78372351806982,1.0629474174768416,2.685170685037675,0.0807028096900759,-5.125689438468357,-0.6513248992320302,3.26342787669217,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1878,9.965020368681127,10.879648257105726,11.75560159489024,12.588902223607926,13.37665206889972,14.117199494338491,14.810090246111178,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_112,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.089487344274515,0.5814062078862937,1.9423402913933183,4.242286114561306,6.527733372216712,8.044944364523625,8.840156699903092,9.21107022307103,9.35005461782079,3.407931524449486,0.4192913414143346,0.0041252773702702,14.0089780806333,5.59699676663409,7.975411740088314,1.1183359475354315,5.541036407736024,12.278462548028491,0.6452079124050679,5.790289639485175,0.7636921742350882,26.2218295152447,1.3741055454399802,3.4144392456916184,0.1105474825936077,-5.6769462412972524,-0.7183548149599196,4.26869533184668,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1878,9.776315085465985,10.686134812494906,11.56100970293972,12.39597657169819,13.187382830282866,13.932992964684503,14.631900269012355,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_113,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0892002611726933,0.5665697038197239,1.829965061955793,4.020206852630428,6.273684860015914,7.793534745279553,8.594909759638302,8.969563629065277,9.11007494931011,3.21432306998607,0.4120023580113311,0.0041136627505711,13.25856127920472,4.763385121603521,7.785896041638319,0.938401775672213,4.9851844471881,11.01507503026991,0.570469343690041,5.316403384458712,0.7267623539405015,23.79344243766829,1.063254367128178,2.68597588123261,0.0806900120406843,-5.128398771718962,-0.6515605088446019,3.262246107995284,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1878,10.000760846229028,10.910925678075497,11.783096215604155,12.613185167542987,13.398200642897612,14.136411856739906,14.827298550745418,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_114,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0895053159287925,0.5814423876370872,1.9424727329304807,4.242583479752625,6.528069935736871,8.045248967617303,8.840430004801181,9.211325955430391,9.35030330946749,3.4081828686533022,0.4193237768437312,0.0041271646328124,14.01053007485621,5.597846745720591,7.975894131663349,1.1183355507088777,5.541241918882889,12.278911797643852,0.6453005847812165,5.791724735226918,0.7636517784595828,26.22457243453278,1.3733408726443073,3.4126856269365327,0.1103797016658149,-5.678264521723004,-0.7182676930580173,4.260436042397146,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1878,9.764706355219475,10.675790766091666,11.551785801519925,12.387736914166076,13.180004052152984,13.926365628563673,14.62592870948438,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_115,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0891927649428669,0.566557672838293,1.8298414002970904,4.019739124723536,6.272999819193676,7.792793708622363,8.594164454931171,8.968821717780049,9.10933515181406,3.21397351554835,0.4119899643296421,0.0041131013495354,13.256126880506274,4.762128209258833,7.784831553678443,0.9381770480023228,4.98545355805404,11.01579436082263,0.5704447490316132,5.314655617513786,0.726734340731395,23.791601850689684,1.0653367966027405,2.6906512963610814,0.0809946252442574,-5.126819631339843,-0.6515999462618178,3.274416968325739,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1878,9.985934259726871,10.896840206416767,11.769690079462348,12.600417500861695,13.38604271588289,14.124841010892212,14.816294436963188,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_116,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0895273305612433,0.5815684029604892,1.9428142292299269,4.243150545317028,6.528886141654247,8.046247043932455,8.841526139502246,9.212468168191492,9.351462823020714,3.4086685832614423,0.4194137159060483,0.0041289633144521,14.0129907808823,5.599930760885397,7.976938450275057,1.1187833202011055,5.541038693400932,12.27845389933562,0.6452233572297752,5.790665097637279,0.7636742589646531,26.22239861425326,1.374127658019894,3.414399302653776,0.1104936356320486,-5.6769516819728665,-0.7181888926988884,4.264642672022138,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1878,9.74973305102078,10.662309504786922,11.539635144102109,12.376767588975564,13.170081175768953,13.917368912023424,14.617751748630775,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_117,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0652557374171509,0.3648294577055219,1.308535514224234,3.23864857385742,5.405299151845637,6.925304313775979,7.740380778637773,8.124169605670843,8.268522989050272,2.501064773619614,0.265491195933892,0.0043451899669803,9.735099822149277,3.0028484906326662,5.7980824588135285,0.3410288812034045,6.031287413785467,13.408446185283848,0.6297619518793205,5.169619410912878,1.0272891068110055,27.206555259973754,2.326711044916333,5.735620573183006,0.3535319844385382,-5.169619410912878,-1.0272891068110055,17.538506399546375,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,15.44899794498026,16.201492613237864,16.872033148582403,17.473186927197688,18.01471633705417,18.504373214113706,18.948449761695823,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_118,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0638099650595822,0.3634893776007325,1.2983936139243928,3.114094265290156,5.056835377977534,6.386032804844273,7.091131975714695,7.421640994197185,7.545729769551374,2.4329144350052787,0.263625639141054,0.0041535571986018,8.494751934440803,2.773491809509862,5.110681355103176,0.408055308443548,6.292964782780984,14.242329508545964,0.6839599810666368,3.797650203672361,0.878435898737375,27.48132670008405,4.993610656378115,11.609667802697286,0.6438724235403159,-3.797650203672361,-0.878435898737375,26.078262186662823,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,14.949681439073036,15.783440797410003,16.521574181841174,17.17893380558777,17.767197220750578,18.29572385722412,18.77215309499812,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_119,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0622193217032454,0.3979854739285337,1.3434491947867555,2.985155185085284,4.732009939680864,5.94568571529705,6.595877350437114,6.902090536747216,7.017287202746027,2.376248220324925,0.2846864034746169,0.003721285434277,7.466368223254334,2.604337067496424,4.653047780888744,0.4790797271281172,6.079359035569727,13.390848442026728,0.7168787823533549,7.556651955111682,1.019661038160846,28.26792650820619,-0.0475644715828082,0.4250284544448242,-0.0072558924725409,-7.556651955111682,-1.019661038160846,2.9232128892998346,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,14.968293359387443,15.793196488779492,16.529169166198717,17.188300969087482,17.780439757554333,18.31375774787425,18.795150427788123,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_120,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2465654701421279,0.7612204792742924,1.7866449931938106,3.78790089649087,5.996244368568561,7.510641238446869,8.31143229535038,8.685935491374787,8.826386577368508,3.0245647221525886,0.6241430360787957,0.0436388854933753,11.870623997116477,4.543074936166307,7.155542197604092,1.0517704016326384,3.745218425333273,7.882879344737574,0.4012152044430846,6.9549400608779495,0.9128734247960758,18.72609212666637,-3.745218425333273,-7.882879344737574,-0.4012152044430846,-6.9549400608779495,-0.9128734247960758,-9.35897218434956,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1878,16.393750255002857,17.060642684236814,17.654593107769706,18.186100733347004,18.66346890023048,19.09341967873163,19.481530526297707,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_121,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0721860552536113,0.3664011615830065,1.274475580001123,3.1334515437407973,5.163507081330362,6.558961921031964,7.299711755185333,7.646926543875504,7.777279247940722,2.428539380055917,0.2716547638145931,0.0053539332623628,9.25095061751555,2.7173924484447403,5.760163557512112,0.3824072737441423,4.419325874527589,9.67592933382494,0.4466402423267125,4.748458304434573,0.8676167957707285,20.47463461828458,0.1763259294735919,0.8504503214463276,0.0940246757910733,-4.748458304434573,-0.8676167957707285,8.133089789537209,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,15.537152764916712,16.250906917208898,16.88511584889349,17.45303733461206,17.964936313513004,18.428816917781447,18.850994453183898,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_122,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0652242128695781,0.3647738822185506,1.3088987248024349,3.239915206442048,5.407201467753543,6.927489703604002,7.742678453308526,8.126512187458225,8.270881247714811,2.502028009602869,0.265428171067336,0.0043410832396752,9.741357463699044,3.005288265271154,5.800910212432796,0.3412385657405183,6.033713432958892,13.413991180894014,0.6301125043805365,5.172060433252864,1.0274805712712822,27.2172906474193,2.3282366996040604,5.739126920257261,0.3536463347445167,-5.172060433252864,-1.0274805712712822,17.540974710158604,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,15.503505704464192,16.24864148811292,16.913172931881558,17.509366991295444,18.046761174044512,18.532937747001657,18.974059819273123,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_123,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0638259981365157,0.3635499809312255,1.29845163590968,3.114088560961589,5.056889806110089,6.386210997510652,7.091401063171965,7.421958382630898,7.546066204927239,2.432922069008238,0.2636742220924669,0.0041555345996671,8.496073755728629,2.773562666985928,5.110965816859124,0.4078703348416622,6.287371853823471,14.22984288956341,0.6831885124693667,3.790220601278045,0.8777406983963117,27.45552959296717,4.993062228602039,11.608087591699396,0.6439213795806933,-3.790220601278045,-0.8777406983963117,26.081179941863603,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,14.94949794097184,15.78294343184995,16.520897659682827,17.178162157547522,17.76638246101392,18.29489792307272,18.77133536583816,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_124,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0622096373311185,0.3978625600487362,1.3432680513648154,2.98526583668407,4.732434772892359,5.946275592655699,6.596537803315206,6.902780208700883,7.017987227021606,2.376236719797047,0.2846000118923658,0.0037209008621881,7.467730657618663,2.604215168531325,4.653982965557555,0.4789657454423729,6.077678465595021,13.387103375260278,0.7166630811379494,7.554626607914851,1.0194283785745146,28.260214074583228,-0.0478400809846849,0.4242928756641546,-0.0072703300073216,-7.554626607914851,-1.0194283785745146,2.922544684498735,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,14.963412398308655,15.788930649924955,16.525409301383654,17.18495574147131,17.777435117668723,18.31103481636475,18.79266287184237,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_125,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2465274400763581,0.7611593302433437,1.7867420018806688,3.788580127646932,5.997436195374741,7.51210857286795,8.313025814685922,8.687584003982604,8.8280550953848,3.025029991288108,0.6240874826854288,0.0436236599327553,11.875010949582265,4.544820668144968,7.158288511630118,1.0515767990553235,3.7440867429839777,7.880425187759479,0.4010240553919521,6.952279186119595,0.9127252387604772,18.72043371491989,-3.7440867429839777,-7.880425187759479,-0.4010240553919521,-6.952279186119595,-0.9127252387604772,-9.351250162516754,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1878,16.398537435625695,17.064286077456025,17.657372545441262,18.18822157621832,18.66508393818789,19.0946438514277,19.48245108544512,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_126,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0722335005149084,0.3665858357362785,1.2745840309503889,3.132496856539357,5.1611835539584,6.5557044409597545,7.295968393045154,7.642958152763989,7.773226838346645,2.4280363388287083,0.2717983023480499,0.0053605987702398,9.244596358325188,2.716321057775976,5.755856831751059,0.3824399164338737,4.421627920695028,9.681413863882067,0.4469713435460917,4.748952496878642,0.8676647511745574,20.48391651738258,0.1803374899005583,0.8594271611450358,0.0944363518180948,-4.748952496878642,-0.8676647511745574,8.145191806902686,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,15.560677892213205,16.27095821805738,16.902391301614458,17.468069962532386,17.97813645459137,18.440503422676564,18.861417564634497,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_127,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0652222447368221,0.3647601861338435,1.308584338066111,3.238918857675679,5.405662395744665,6.925673615267013,7.740739975957877,8.124521464209126,8.268871701878803,2.5012693111829254,0.2654242154382096,0.0043407420300882,9.737210701365711,3.00347411581776,5.79902791150784,0.3409784821772473,6.035581119082674,13.418305283849524,0.6302137792846746,5.170824572093782,1.0278107591008732,27.22467220478023,2.331913487711235,5.747512482818864,0.3541973509263736,-5.170824572093782,-1.0278107591008732,17.56409721223969,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,15.482213603959458,16.2304959701313,16.89759470572599,17.495904593884045,18.03505721423904,18.52270567503106,18.9650675150956,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_128,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0638337000934962,0.3635414582229649,1.2985111499175084,3.1147297337198823,5.058394428045292,6.3883639637757375,7.0939082442209855,7.424633351442808,7.548804415284058,2.4333051388596645,0.2636735825129357,0.0041566490737245,8.499751761813618,2.774633328635792,5.113184404973989,0.4079212558022934,6.289724546311756,14.23472356034066,0.6835041474649836,3.796202476502189,0.8782819743372045,27.46784510679405,4.989145390521611,11.5996242321021,0.643421727456589,-3.796202476502189,-0.8782819743372045,26.064960406500244,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,14.935679323013586,15.770991173008213,16.510448361768336,17.16893772566802,17.75816861486649,18.28752797813181,18.76467823512437,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_129,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0621935996417268,0.3978008745322564,1.3431687449224323,2.9858367592018475,4.73415560187446,5.948861769676458,6.599591967485796,6.9060546461935495,7.021344445823301,2.376480707824451,0.2845548283954078,0.0037189568375973,7.471980404903079,2.6050514842302563,4.6557979204708015,0.4783953364891608,6.078129135008848,13.388010023104256,0.716740658732122,7.556280225933064,1.019530176020977,28.262758585577856,-0.0491157148541065,0.4214966396981731,-0.0074449622433288,-7.556280225933064,-1.019530176020977,2.9162618514370786,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,14.979473046398487,15.8038307172398,16.53928806502348,17.197923997165745,17.78958222663179,18.322434324089915,18.8033767323776,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_130,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2464568711455866,0.7611044109391836,1.7867723221943934,3.7886566073031847,5.9974658407639785,7.5120733335438095,8.312949328267313,8.687486956775706,8.82795015338511,3.025102322967852,0.6240207870825775,0.043593761571131,11.875259908279263,4.544711556416591,7.159383316727718,1.0520359607408911,3.7431771989858817,7.87850203474057,0.4009183811420793,6.950524248122517,0.912511738046787,18.71588599492941,-3.7431771989858817,-7.87850203474057,-0.4009183811420793,-6.950524248122517,-0.912511738046787,-9.348400685016143,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1878,16.40398678462457,17.069263792205888,17.661961694310516,18.19247784156843,18.669046662615727,19.09834254501842,19.485909229798366,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_131,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0722158844057748,0.3664608866093086,1.2744919292780117,3.1331592488010407,5.162662755253496,6.557673898903091,7.298176378111157,7.6452732500549425,7.775581414092484,2.428394319236103,0.2717116679741947,0.0053583109084773,9.25024083484545,2.717345426561856,5.759340478168266,0.3822392465679455,4.420388425312729,9.67827485601235,0.4469017678403441,4.751962179156791,0.8676281210412892,20.48012193212429,0.1747687922654159,0.8469719448384222,0.0937049636394377,-4.751962179156791,-0.8676281210412892,8.11823378509258,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,15.596683108123184,16.30191620893587,16.929353549638552,17.491799070948012,17.999200813070196,18.45933749216414,18.87836100429876,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_132,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0652615625159046,0.3648730928468523,1.3087159059374598,3.2389231302545536,5.405567300187344,6.925544359552911,7.7406022014545295,8.124381735304215,8.268731555949012,2.5013218517949367,0.2655189222188066,0.0043458991763226,9.736075692491328,3.003420757650668,5.798539385274383,0.3411539810563508,6.0314402460496535,13.408829522602648,0.6297709635557984,5.169285072625004,1.027294651208141,27.207039789312745,2.327350503267649,5.737051984276791,0.3536161834227078,-5.169285072625004,-1.027294651208141,17.541622484654575,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,15.459652559258805,16.21107916971316,16.88071444599715,17.481091144817423,18.021945765474683,18.5110108489852,18.95456410256959,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_133,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0638100383381553,0.3634927640790181,1.2984037224174607,3.114087460173536,5.0567926972353945,6.385961260376588,7.091044407740436,7.421545805994412,7.545631706097245,2.432916840063089,0.2636275666800006,0.0041535572560405,8.494837858564969,2.7733993349062174,5.110802967050772,0.4080530087146451,6.292228383861977,14.240692769521456,0.6838665002208489,3.7967450826645135,0.8783301758895562,27.47793426782776,4.993526628670716,11.609425347536256,0.6438693836065267,-3.7967450826645135,-0.8783301758895562,26.07803518632648,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,14.95056809824201,15.784178743053204,16.52222432031474,17.1795318130672,17.767763105369053,18.29626822394965,18.772681100305693,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_134,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0622091662120493,0.3979702130530893,1.3434154612220888,2.9850588278198367,4.7318751868727205,5.945538243482145,6.595726092847877,6.901938044520067,7.01713432460418,2.3761728266876765,0.2846705025885235,0.0037200081503013,7.466210949530721,2.604147184035446,4.653089949858033,0.4790587900649529,6.07993868770681,13.392124626782898,0.7169640567644593,7.55765353799352,1.019738218455721,28.270694636619567,-0.0477754156157771,0.4245967987459947,-0.0072977894596319,-7.55765353799352,-1.019738218455721,2.921530018776376,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,14.978628762939156,15.802938882156427,16.538345368357778,17.196940511136283,17.78857251431178,18.3214130529502,18.802356760606973,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_135,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2465174894731968,0.7611457027920138,1.7865589697081057,3.787864220511854,5.996265127553475,7.510688387096255,8.31148870028552,8.685995130841459,8.826447253096985,3.024505689541731,0.624072653233398,0.0436230782977001,11.870740581408551,4.542813457872735,7.155963024090636,1.0516863985233866,3.744752946597349,7.881860892657011,0.401127824865045,6.9537755455177095,0.9128291595177912,18.723764732986748,-3.744752946597349,-7.881860892657011,-0.401127824865045,-6.9537755455177095,-0.9128291595177912,-9.355183007566406,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1878,16.396311705799686,17.06272847537798,17.656309707823947,18.18752737598214,18.66466532390659,19.094431475754533,19.482392884677296,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_136,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0722310589300958,0.3665118553191595,1.2746580249103392,3.1336532722387167,5.163690932730095,6.559133441648757,7.299878467000105,7.647091519266702,7.77744366171187,2.4287421018264577,0.2717502219971019,0.005360521416541,9.251465682301657,2.717791012617397,5.760406575682545,0.382518473150208,4.419849266724627,9.677105631780352,0.4467062458775935,4.74898966342868,0.8676843667332717,20.47699154846479,0.1765392912240265,0.8509615646916822,0.0940453491751891,-4.74898966342868,-0.8676843667332717,8.133860163880632,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,15.537318192820088,16.251080066087965,16.885341008676594,17.45332859659041,17.965292039680456,18.429228176030275,18.851449726066782,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_137,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0652224812911207,0.3647704522337581,1.3088759064766804,3.2398210252338417,5.407012975744471,6.927231938121702,7.74238295785007,8.126198818060859,8.270561139343016,2.5019635063070287,0.2654252838274588,0.0043408454425643,9.740635382515162,3.00508801103486,5.80044563928725,0.3411956907655969,6.03344051694463,13.41337785878853,0.6300590219332574,5.171472026241021,1.0274691530883209,27.21598225163831,2.3283504267957325,5.739375619006816,0.3536810890950204,-5.171472026241021,-1.0274691530883209,17.542754602300022,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,15.4975648272125,16.243424082255427,16.90853704988058,17.505210156024024,18.043007118358627,18.52952796514313,18.97094815375737,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_138,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0638182063865899,0.3635183071053542,1.2983557543303357,3.113928918348784,5.056702239483696,6.386013440633053,7.091199562575762,7.421755223696355,7.545862446693584,2.4327797968137554,0.2636506204783532,0.0041545605243467,8.495566238229019,2.7731588020542435,5.110805524950976,0.407763123782936,6.286602041869512,14.228120842197828,0.683082153275509,3.7892223643887686,0.8776469872363589,27.451991757505148,4.992950238350643,11.607789863592355,0.6439239973386268,-3.7892223643887686,-0.8776469872363589,26.081456299714272,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,14.954028368201932,15.786876011441253,16.52430020193074,17.181103320888646,17.76892637176652,18.29710194310131,18.77324952762367,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_139,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0622006696738877,0.3978717769504492,1.34328723426764,2.9851690290831723,4.732203358974807,5.9459642747909385,6.59618855412256,6.902414209466768,7.017615104641724,2.376188851613179,0.2846005276274709,0.0037195920893857,7.467261062440512,2.60409143537895,4.653741945382744,0.4789611581684123,6.078090370737495,13.3880062819238,0.716727013705319,7.555424764943374,1.0194817600217287,28.26221099596914,-0.0480746072022086,0.4237962569411691,-0.0073133944658735,-7.555424764943374,-1.0194817600217287,2.920796709977393,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,14.966589514527469,15.792242657637232,16.528737216964128,17.18822782928474,17.78060915121356,18.31408708742489,18.795581351678585,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_140,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2464580850418407,0.7610642553206447,1.7866947389575722,3.788735890369341,5.9977954823257775,7.512578743020862,8.31354554915382,8.688124892147355,8.82860359480029,3.0251061109460604,0.6239940718154783,0.0435991365470015,11.876555899975394,4.5449257537939465,7.15949705541098,1.0514392744206706,3.7436183848268167,7.879396920592338,0.4009327260602767,6.95108019330903,0.9126870903641452,18.71809192413409,-3.7436183848268167,-7.879396920592338,-0.4009327260602767,-6.95108019330903,-0.9126870903641452,-9.347198900085283,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1878,16.409454940655817,17.07339970339683,17.6650799573889,18.194813972959327,18.67077899736189,19.0996072735892,19.486811037130693,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_141,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0722347702892285,0.3665685004670515,1.2745183847499555,3.132475314183308,5.161240801265845,6.55581057319476,7.296097780141545,7.643097787865991,7.7733702147309875,2.4279898034030416,0.271789878618393,0.0053608397072694,9.244970265611965,2.7162399575210667,5.75611849911548,0.3823085696006502,4.421457438447241,9.680996382210049,0.4469695273366808,4.7493779034579005,0.867641237748888,20.48336931539481,0.1796432126033746,0.8578639037034098,0.0943364316104505,-4.7493779034579005,-0.867641237748888,8.141210964976752,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,15.550213458129956,16.261888630358527,16.894455604868895,17.46106651553934,17.971907911067834,18.43492572274221,18.8563918538467,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_142,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0652121718747942,0.3647344064685441,1.3085019229160966,3.238700499010631,5.405322109498866,6.925266708885153,7.740302655357119,8.124070965314687,8.268416425432713,2.501100643127568,0.2654024874327482,0.0043394102361531,9.736099124943822,3.003002574904833,5.798444731116254,0.3408940535205583,6.035553633133895,13.418238509189225,0.6302018557104004,5.170699347884116,1.027821902442232,27.224533600202985,2.3319443023544943,5.747586881882259,0.3542096661117631,-5.170699347884116,-1.027821902442232,17.56480696425068,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,15.470762995614226,16.220401672865144,16.888600532017655,17.48781948640422,18.027736250043745,18.516036773107896,18.95896223066939,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_143,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0638305360274985,0.3635498570988442,1.2985603371568473,3.114751563268133,5.058333305871366,6.388235346149955,7.093742250454262,7.424449612130916,7.548613985025237,2.433346593528984,0.2636755767998971,0.0041562019086132,8.49917581241079,2.774715308365089,5.112794050774026,0.4080167946916793,6.289927042679423,14.235257061520285,0.6835305392601477,3.7957890531320055,0.8782563244427765,27.468444061582822,4.99011455412776,11.601774428086076,0.6435331780112857,-3.7957890531320055,-0.8782563244427765,26.068536417872657,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,14.940127617509315,15.774845156781506,16.513783794082144,17.171827279681274,17.76067800334009,18.289714624118226,18.766591293072025,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_144,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0621632128093228,0.3977569293015481,1.343150859428944,2.9858255115754737,4.734137681890328,5.948839409673141,6.599567846721183,6.906029870216015,7.021319453066898,2.3764700397071072,0.2845082772521674,0.0037150193513194,7.4719430469677235,2.605119520633436,4.655629341938497,0.4782864596214931,6.078728241000899,13.38935801914631,0.7167961477141431,7.55654851278149,1.0196305964638752,28.265366750038226,-0.0486172852631152,0.422662558270415,-0.0073713293920507,-7.55654851278149,-1.0196305964638752,2.919505051321441,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,14.975305366610858,15.799979816869213,16.535709667412224,17.194587875886157,17.786466386566968,18.31952143449972,18.800652083785963,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_145,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2464398744258006,0.7610785334068046,1.786743782767946,3.788722763321844,5.997633525648079,7.512291009009862,8.313186728564103,8.687732042198416,8.828197873547493,3.02512847115899,0.6239982198328455,0.0435864755689869,11.87605132590075,4.544881990810441,7.1600226345067846,1.0520369121325497,3.742691082241503,7.877440193535669,0.4008288326085002,6.949321743109505,0.9124625329920734,18.713455411207512,-3.742691082241503,-7.877440193535669,-0.4008288326085002,-6.949321743109505,-0.9124625329920734,-9.344562871387495,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1878,16.39301403474216,17.0600384282728,17.65409902908738,18.18569813666381,18.66314177406588,19.093154430711262,19.48131573073077,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM1878_146,RSM1878.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0722593928785018,0.3665215085157592,1.274504507800264,3.1331310255062417,5.1626048877587625,6.55760287220192,7.298101148482843,7.645196752946813,7.775504559124075,2.428379027425627,0.2717771248360612,0.0053648468930818,9.249627196684218,2.717088035023366,5.759021879743107,0.3822411653240261,4.420595237849027,9.67864011515596,0.4469308386125573,4.753024549302079,0.8677154758134353,20.481467490521435,0.173679408534799,0.8445851488464129,0.0935720609620104,-4.753024549302079,-0.8677154758134353,8.113910272752294,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1878,15.593514902008526,16.298969405889125,16.926552632483887,17.489103529360452,17.996590667463845,18.45680429856229,18.87590238841486,Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-].[Mn].cat0,"linker Oc1cccc(c1)C1=N[C](C(=N1)C(=O)[O-])C(=O)[O-], nodes [Mn], topology "
RSM0848_0,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.0015306397653645,0.1427468864320297,1.104655090644972,2.9520732193056967,4.754841768323445,5.926531139238764,6.5338708412084205,6.815731649081831,6.921126667315253,2.282295635967259,0.0709113873442077,4.782287318399815e-07,6.935609461502665,2.61808603982328,3.8012812920036216,0.3271735505396476,41.00581116271019,98.83018949235108,3.0,2.994188837289812,1.6574140325939664,75.97094418644906,-41.00581116271019,-98.83018949235108,-3.0,2.994188837289812,1.6574140325939664,-75.97094418644906,-41.0,-98.8186,-3.0,3.0,1.66,-66.0,-43.0,-102.8073,-3.0,1.0,0.7699999999999998,-76.0,RSM0848,21.80093082024423,22.034731680159496,22.219119031263585,22.3668741521586,22.48695562158107,22.585777526454848,22.66802000161509,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_1,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.0015253911923581,0.1424387703306541,1.1027715176556252,2.9479556737287904,4.748591240662738,5.918730331921092,6.525208239651787,6.806655913955549,6.911894355799992,2.278939545860769,0.0707465099810072,4.761046810948851e-07,6.914855829024399,2.612538735739491,3.78825525069973,0.3256661371331789,41.00607383693888,98.83071335669904,3.000000000000001,2.993926163061131,1.6572971425622032,75.96963081530566,-41.00607383693888,-98.83071335669904,-3.000000000000001,2.993926163061131,1.6572971425622032,-75.96963081530566,-41.0,-98.8186,-3.0,3.0,1.66,-66.0,-43.0,-102.8073,-3.0,1.0,0.7699999999999998,-76.0,RSM0848,21.80959466264344,22.04251126426849,22.22606090138393,22.37306312867438,22.492483264688136,22.59072981631775,22.67247323379653,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_2,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.0015316851959656,0.1427781960226123,1.1046626212498878,2.951856204128796,4.7543954565910775,5.925950356642171,6.533225305058662,6.815057164876106,6.920441533208916,2.2821666045912545,0.0709321240433917,4.788315255824695e-07,6.9343163363567175,2.6177688080314283,3.800578368957576,0.3272277188907022,41.00580844930312,98.83018408086768,3.0,2.9941915506968786,1.6574152400601108,75.97095775348438,-41.00580844930312,-98.83018408086768,-3.0,2.9941915506968786,1.6574152400601108,-75.97095775348438,-41.0,-98.8186,-3.0,3.0,1.66,-66.0,-43.0,-102.8073,-3.0,1.0,0.7699999999999998,-76.0,RSM0848,21.804182181932923,22.037438632006182,22.221405323296587,22.36882941407951,22.488646107600086,22.58725313815733,22.66931896987674,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_3,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.0015250441535509,0.1424313734724581,1.1027457789645874,2.9478830602053034,4.74846438658118,5.918566296172669,6.525024564917858,6.806463057406572,6.911698055966859,2.278885460093992,0.0707414382808571,4.7581949406183213e-07,6.914390840134589,2.612399239020322,3.787943551414513,0.3256519861826157,41.00606359299407,98.83069292668772,3.0,2.9939364070059344,1.6573017011176403,75.96968203502966,-41.00606359299407,-98.83069292668772,-3.0,2.9939364070059344,1.6573017011176403,-75.96968203502966,-41.0,-98.8186,-3.0,3.0,1.66,-66.0,-43.0,-102.8073,-3.0,1.0,0.7699999999999998,-76.0,RSM0848,21.80792538895596,22.04111048804513,22.224870903802124,22.372040948906943,22.49159650370008,22.589953701288863,22.671788564732207,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_4,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.0019206546374685,0.1482698500463717,1.062484289340698,2.9178317095275137,4.889594589943289,6.234900734797842,6.94760664363561,7.281465647235779,7.406776721599453,2.2237718379941187,0.0762362374628381,7.288936406221009e-07,7.109249991554075,2.607259606739419,3.976131779551564,0.2997905482563284,41.0,98.8186,3.0,3.0,1.66,76.0,-41.0,-98.8186,-3.0,3.0,1.66,-76.0,-41.0,-98.8186,-3.0,3.0,1.66,-76.0,-41.0,-98.8186,-3.0,3.0,1.66,-76.0,RSM0848,21.68925083113508,21.94045522070532,22.138616892570926,22.297441915011422,22.426538331617984,22.53278747815809,22.62121259464878,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_5,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,49.0,114.818,5.0,13.0,1.78,142.0,0.001927899664851,0.1483021881701424,1.0578525675715176,2.8990623380233065,4.85782749665191,6.195831413417049,6.905110242986429,7.237458207982907,7.362216858715625,2.210234427765278,0.0763184564404078,7.357130134643671e-07,6.998515943325305,2.576306356287785,3.916828282500512,0.2982866104982437,41.0,98.8186,3.0,3.0,1.6599999999999997,75.99999999999999,-41.0,-98.8186,-3.0,3.0,1.6599999999999997,-75.99999999999999,-41.0,-98.8186,-3.0,3.0,1.66,-76.0,-41.0,-98.8186,-3.0,3.0,1.66,-76.0,RSM0848,21.70918882554882,21.95739414746393,22.15317597365368,22.31008312514221,22.437612624247,22.542565881994744,22.629907541720364,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_6,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140126599988323,0.4859603570796226,1.365008096872107,2.931026942811956,4.470286678700706,5.467557790402227,5.982202611135857,6.220421268644013,6.309390963079505,2.361074945251333,0.3837794960201476,0.0199772656161799,8.345310408471933,2.1369413794636576,5.53452926696892,0.3813851450793616,5.264340032487258,11.372777422503832,0.847558101970758,12.04480484825332,0.7534598732616585,33.00736697551677,5.264340032487258,11.372777422503832,0.847558101970758,12.04480484825332,0.7534598732616585,33.00736697551677,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0848,3.493960391010548,4.17292783267716,4.869714857272656,5.567415628188616,6.253078660987758,6.91758889947971,7.555146574904142,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_7,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1397260596915908,0.4862469450124548,1.3694730880467652,2.9474210190206294,4.492713321921047,5.489250814577113,6.002175746665075,6.239313015342962,6.327834561956826,2.3733152959849795,0.3837165890908512,0.0198593564400214,8.427733013606671,2.182644767560264,5.599725569135005,0.4278894612177195,5.019339969607141,10.841118907959018,0.8058100693233016,11.465820524193555,0.7227124064939869,31.31000500459541,5.019339969607141,10.841118907959018,0.8058100693233016,11.465820524193555,0.7227124064939869,31.31000500459541,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0848,3.4511827901053787,4.099985663813422,4.769066965225586,5.442558210844161,6.108021488635187,6.756443087360329,7.381841980641474,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_8,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402039799138407,0.4861667777099872,1.365812043760655,2.932515335546633,4.471957496308618,5.469025564233807,5.983459096605394,6.221555012920104,6.310474807154971,2.362365211668699,0.3839289862772182,0.0199990238011308,8.353958000471563,2.138549093762172,5.53761165163139,0.3783226108500882,5.276076988451012,11.398116114907442,0.8494311141406635,12.07152590157632,0.7551709208469563,33.07979304759139,5.276076988451012,11.398116114907442,0.8494311141406635,12.07152590157632,0.7551709208469563,33.07979304759139,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0848,3.5046815778140505,4.184665561165415,4.882158442579007,5.580276761693263,6.266104597836047,6.930564314422493,7.567890493447294,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_9,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1397147730820598,0.4863524607759728,1.369980189836331,2.9479368777138903,4.492475868912334,5.488067762568829,6.000361189065874,6.2371733740712925,6.325568231878904,2.3739101745295903,0.383760430959067,0.0198560992037581,8.426215111526087,2.185473348459945,5.599079861644882,0.430282418782834,5.035427972876154,10.875388522407745,0.8079288704301487,11.498858936317346,0.725898815873359,31.37788106572965,5.035427972876154,10.875388522407745,0.8079288704301487,11.498858936317346,0.725898815873359,31.37788106572965,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0848,3.447201222940572,4.095953488574841,4.765045406829628,5.438588037412251,6.10413026787939,6.752649447774194,7.378158170375976,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_10,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401637865230002,0.486019908534079,1.365041917590024,2.930996696478351,4.470213219392615,5.46746814227766,5.9821081742441145,6.220325419847456,6.309294716081415,2.3610661449534582,0.3838364332126109,0.0199876984503411,8.344979023260239,2.1368887677321284,5.534444771641614,0.381510039418579,5.263859588204585,11.371755228253392,0.8474960073302695,12.04382764684674,0.7533625030067846,33.00542257209594,5.263859588204585,11.371755228253392,0.8474960073302695,12.04382764684674,0.7533625030067846,33.00542257209594,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0848,3.494095099812139,4.173060446999837,4.869848337846836,5.567550899882851,6.253215597156727,6.91772689726823,7.555284883314605,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_11,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1397268621495604,0.4862480501958781,1.3695138567205498,2.947548303447383,4.492878703917361,5.489415459250559,6.002333120589289,6.2394655637836,6.327985080793043,2.3734156342521486,0.3837171486530629,0.0198595924202657,8.428769229178133,2.182881148837184,5.600184433991975,0.4277859801444958,5.019184170596748,10.840769100206288,0.8057721550486054,11.465361410985592,0.7227141651994173,31.30813000041864,5.019184170596748,10.840769100206288,0.8057721550486054,11.465361410985592,0.7227141651994173,31.30813000041864,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0848,3.450849518974611,4.099644064046895,4.768724741071425,5.442220534589302,6.107691789403738,6.756123570833048,7.381533986715035,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_12,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401997130514822,0.4861565813558365,1.3657850981403414,2.932493683118628,4.471975314954305,5.469081184379988,5.98353705893227,6.221643877034139,6.310567827450026,2.362336720832671,0.3839209121409897,0.0199978286399311,8.354011281307498,2.138491986247456,5.537637461125573,0.3782687367445564,5.275978616632744,11.397898546833265,0.8494103769621522,12.071261632329962,0.7551660275975355,33.07883330418694,5.275978616632744,11.397898546833265,0.8494103769621522,12.071261632329962,0.7551660275975355,33.07883330418694,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0848,3.5043435662316225,4.184305965081533,4.881778874416876,5.579881207770836,6.265698402548353,6.930153463777534,7.567481144394565,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_13,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1397136604251412,0.4863492964307682,1.3699818268185036,2.9479583416986594,4.492512941840802,5.488112405767013,6.000409071305542,6.2372226171396745,6.32561796182784,2.3739246012123965,0.3837578841845956,0.0198557917790856,8.426347631560173,2.185532172223629,5.599136020895088,0.4302692537975181,5.035475544109048,10.875490043099594,0.8079353175097392,11.49895808418696,0.7259078967977647,31.37809450513652,5.035475544109048,10.875490043099594,0.8079353175097392,11.49895808418696,0.7259078967977647,31.37809450513652,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0848,3.447463539477796,4.096187800592482,4.765252105698116,5.438768710775732,6.104287209003447,6.752785268682385,7.378275537505456,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_14,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0982905555650732,0.707487417812512,2.1433154384031328,4.044855581744702,5.625313963291046,6.582972877121602,7.06522081621126,7.286378146128754,7.368683169030739,3.4043601565586656,0.5093409363260645,0.0034778255118977,11.41708988747989,5.431325299515296,6.898822464760328,1.6255138863692562,0.5534223065201652,1.113717596437079,0.0096990518312985,0.6310147211705541,0.2280872042177887,2.9610925692267984,0.4564317882071793,0.9002849173824008,-0.0096990518312985,0.3788393735567905,0.2212978679358797,-2.9610925692267984,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.622439762886418,8.486557927161297,9.33808228226635,10.169909863034702,10.97593726717496,11.751239088064724,12.492155061108374,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_15,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0949945944217279,0.6889019055900246,2.0883499255312623,3.96317829933666,5.527715952836498,6.470489672658335,6.9425981837995066,7.158415362083198,7.238616343187636,3.3293501575248454,0.4958870657979856,0.0032939628209141,11.281197480738903,5.123384246876499,6.922038377505388,1.553686084192281,0.598620416901929,1.2174780640205434,0.0229090266555912,0.7818926301466593,0.2234316605421248,3.45128261762147,0.3695301503460163,0.7133530197703963,-0.0229090266555912,0.186257937101286,0.2073953418832109,-3.45128261762147,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,8.006442331485593,8.842850118190754,9.66921943315851,10.478772772643945,11.26517691916034,12.023096386410394,12.748456234616068,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_16,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2162577373056484,0.8901271991171917,2.077221633259491,3.707423166199821,5.186975337195065,6.125249131274852,6.606587568894356,6.828977529666867,6.9119832314552685,3.13892371378882,0.702516810101385,0.0230950243267689,9.932802383721032,4.750351961226535,6.071502933746748,1.5568387413593767,1.584720648870373,3.403461674378855,0.235666044271372,3.4700490030413493,0.2633268557384932,12.636924129779304,-0.771939793843348,-1.7824921761557082,-0.235666044271372,-2.6572681480143245,0.0983606247485329,-12.636924129779304,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,9.53334913412101,10.360413111310994,11.154067289553778,11.911548924785292,12.631139881578958,13.311974395263896,13.95390330627929,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_17,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0965196503838701,0.6965927062890499,2.1001602952961216,3.95203250767138,5.481161715698237,6.400632035413528,6.861369035960494,7.0721386011828615,7.150493491974816,3.3291954112936284,0.501803356707441,0.0033668398099437,11.023380860186515,5.120781083754004,6.7555439105616175,1.5727462274009676,0.5942030568633951,1.1953130886612051,0.0099555020860062,0.673847073551445,0.2457537938929491,3.1701253260371005,0.4946480360033328,0.9762370883975534,-0.0099555020860062,0.415004019315283,0.2387849424327447,-3.1701253260371005,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.807015868039511,8.634283415751018,9.45039351661542,10.24997392896844,11.02765338808261,11.778653759978283,12.499138182430004,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_18,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005199242541215,0.7080231077305225,2.12358949288632,4.005539609501099,5.564726518326673,6.502125419905403,6.971462580534015,7.186049228688736,7.265802365771898,3.3713401319630534,0.5119349504706981,0.0036323643283292,11.253504246587347,5.293913158953045,6.885446931834812,1.6017672694024712,0.5349655071348736,1.0758525515328643,0.0086750782033433,0.6043661327616207,0.2217938790437499,2.848329099741236,0.4482147251014398,0.8849529446276275,-0.0086750782033433,0.3788140994746928,0.2157213243014096,-2.848329099741236,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.519222722200424,8.355882842011312,9.18096858457306,9.988316964725971,10.772562936594891,11.529241372430937,12.25488178160096,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_19,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187172592832487,0.8985455971111116,2.093860667248536,3.761840024721572,5.289894997892953,6.258144137868574,6.753725228787548,6.982367626925591,7.067650022381925,3.1769211803069526,0.7096244263231444,0.0232111185714741,10.27626298407947,4.889943289138958,6.276489136513367,1.57890618968831,1.57795667371396,3.393489786873224,0.2390780832889956,3.4905813400259253,0.2539193136358453,12.671345034349711,-0.8128241591759966,-1.867547756504436,-0.2390780832889956,-2.7254488254879616,0.0865646553335485,-12.671345034349711,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,9.770503364760218,10.551769974225062,11.30296380553943,12.022260299927666,12.708272711709164,13.360093066214878,13.977312013767593,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_20,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1627576445511744,0.7938588269839851,1.93694948657912,3.608534866677372,5.224402048378529,6.282058162825791,6.832021623218406,7.087560330677973,7.183155739254459,3.0104067282168305,0.6146824450779153,0.0106654914228106,8.603210281149995,4.729001463475023,4.688526653267656,1.2526859291216217,1.7740969358663208,3.6068576385014905,0.0666214822906598,2.3070687941916,0.6645578571655255,10.2029143251448,1.1078821129597225,2.1408172775247287,-0.0666214822906598,0.5749102546344436,0.6179228195620637,-10.2029143251448,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.230581866253178,8.05631447115431,8.866973919617529,9.657711797082538,10.424764459078244,11.165092873953409,11.876281469439038,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_21,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.158840565052756,0.7727986596600207,1.8205813707208856,3.299192590498989,4.7395378341360015,5.694442383400961,6.1949248415654745,6.42837815048868,6.515857539446857,2.7704530705962025,0.6003625216262174,0.0103918539338161,7.490932725655553,3.909193028436536,4.257607200617313,1.167194072617464,1.8220977285464,3.739054882574393,0.1019915205942526,2.63802989330042,0.6195993880889242,11.150319054617052,0.8021825226038739,1.4946784363071552,-0.1019915205942526,-0.013749642150147,0.5482053236729476,-11.150319054617052,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.64107110696873,8.484464150675151,9.312925146123142,10.11983014709267,10.900254800071,11.650536000349474,12.368053333803893,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_22,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1586510550573062,0.7763599615458822,1.8341584271628568,3.354023444958211,4.862192873735245,5.869772674749485,6.399184993953067,6.646340128354257,6.738981236581624,2.8063094534260573,0.602708541975095,0.010160164102847,7.731334431760543,3.95007079635541,4.474183645663798,1.178106139818968,1.6284851088155454,3.291162198544584,0.0420877797289082,1.9651873466468115,0.6457612864312148,8.984181138655892,1.2076073115264627,2.364998719964499,-0.0420877797289082,0.8709050736951969,0.6162998406209791,-8.984181138655892,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,6.967338959372138,7.774972456483441,8.572312755088463,9.35411454368113,10.116144388410486,10.854842062604732,11.56725375932082,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_23,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1600144834286862,0.7910332092139889,1.920478339279408,3.4857431576847566,4.952307688784751,5.904469333793943,6.398838031430336,6.62849824914905,6.714412313179685,2.9344075554848903,0.6113508243437716,0.0101587658727644,7.785875246915541,4.448634990941168,4.211778700269083,1.2455154342473669,2.0100115726881578,4.179642116050244,0.1193569262944651,2.738278507851103,0.6269224710144724,11.719666217886305,0.9194370711947684,1.7797762156399624,-0.0987579740042127,-0.1040815134617938,0.5452951914887705,-11.26648926750075,43.0,102.8073,3.0,2.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM0848,7.109556023204897,7.868852417593934,8.623657746305797,9.36895602797972,10.100334480716649,10.81381142773349,11.505881086369383,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_24,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0982237164731996,0.7073374531966221,2.1432191266890275,4.044466937360469,5.623848568147318,6.580366944478175,7.061897204323015,7.282693927056048,7.364859771162311,3.404160998905911,0.5091934855361206,0.0034731645054744,11.40966387672888,5.431419877612365,6.892315649645591,1.6253417834798494,0.5530132132087404,1.1129711543356953,0.0097663966138486,0.6311443861195296,0.2277788862269233,2.960393998320675,0.4553492470702538,0.8980565183217166,-0.0097663966138486,0.3772180741594647,0.2209424085972292,-2.960393998320675,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.654411781477889,8.519418186334057,9.371229919580296,10.202883322417508,11.008397018671896,11.78294385454526,12.522939629128604,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_25,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0949507967097386,0.6886941549081278,2.087855855132805,3.962249412210544,5.52590645426864,6.467823407957584,6.939404688361673,7.154958897963394,7.235058651644238,3.328617949835264,0.4957285728725263,0.0032916284843984,11.277487654498268,5.119480505259215,6.921173995765659,1.5528821490066689,0.5970003304091828,1.213436384065672,0.0221227486776254,0.773982319830186,0.2241849932615386,3.4274566255984213,0.3757728436329285,0.7266137955852124,-0.0221227486776254,0.1987908542119252,0.2086990691872009,-3.4274566255984213,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,8.071981839585092,8.9082341420299,9.733559530110744,10.541461166761392,11.32581645567447,12.08144418439297,12.804380788103275,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_26,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163567305301461,0.890400949346005,2.0781928691882423,3.708528969143747,5.187433601555573,6.125139406832951,6.6061681201981255,6.828413192919613,6.911364672500366,3.140119347477196,0.7027223038972529,0.0231185482551146,9.93548559997062,4.752974965075047,6.070746009278379,1.5580231127317423,1.590916925626122,3.417366452124781,0.2371667408680081,3.488250852570187,0.2632703927761088,12.697919445490774,-0.7807504830539599,-1.80161100738099,-0.2371667408680081,-2.678084409998025,0.0972536741685032,-12.697919445490774,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,9.597164077608264,10.422353491020855,11.213619468977182,11.968394618533724,12.685121192811447,13.363051032054722,14.002115195274945,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_27,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.096581954512359,0.6968794708751356,2.100481532172501,3.951846786993773,5.480446891892601,6.399691298448667,6.860363606359581,7.071116547751974,7.149467475390809,3.3292211299340284,0.5020363714378832,0.0033693923551258,11.022045379920934,5.119582877613626,6.754641804628631,1.5733351353309053,0.5935455999923677,1.1941784915791889,0.0101267924020237,0.6745599392085577,0.245140056242809,3.170263848002313,0.49227767597213,0.9713331588406068,-0.0101267924020237,0.4112633367559398,0.2380513015613924,-3.170263848002313,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.852498185704263,8.678182495779131,9.492342144164466,10.28976018114979,11.065190489858317,11.813944882056918,12.532245927066898,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_28,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003547426637155,0.7073158808370137,2.122077139805478,4.003918083258386,5.564077196904824,6.502591315943215,6.972638967046832,7.187583876634991,7.267475459385066,3.3696155484936328,0.5113827562713726,0.0036215781148778,11.249334815165378,5.28814577129632,6.886341392857634,1.5993334351247204,0.534838884259911,1.075620420704548,0.0086948641436986,0.6043977974095004,0.2217004332262253,2.848091704173528,0.4478902428229241,0.884285413893104,-0.0086948641436986,0.3783313296733347,0.2156140283256363,-2.848091704173528,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.520190194081936,8.36073209149051,9.188947027684872,9.998780207123444,10.7849627589109,11.543114306286062,12.269838891071933,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_29,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186320968614501,0.8982155169519253,2.092882054202664,3.760875249952631,5.289469577115441,6.258053405352451,6.7537725484024325,6.9824685544642096,7.067769166335679,3.17583520636356,0.7093779293315323,0.0232017891725994,10.274002922690132,4.886817359543638,6.276859179922398,1.577589824522467,1.5810483598038898,3.399615163220277,0.2390387744497039,3.493358555401521,0.2553688180195361,12.686017288013527,-0.809339384693149,-1.860557368708172,-0.2390387744497039,-2.72164958029078,0.0880416759047435,-12.686017288013527,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,9.809431230296193,10.590691198874453,11.34131099685269,12.059641443239148,12.744433176739095,13.394879646526048,14.010643951645884,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_30,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1627780760526816,0.7938501309622723,1.9368925493725635,3.608477806270739,5.223786694611206,6.280720276168156,6.830201655235742,7.0854926906865305,7.180991675340145,3.010396227930668,0.6146914248128758,0.0106683411902656,8.595623114424566,4.731564346835131,4.680319996357092,1.2519077811670534,1.7728072168811897,3.60376436730188,0.0661160360373607,2.301735505180076,0.6649316439420778,10.186356805153164,1.1116468565075817,2.148846613961016,-0.0661160360373607,0.5827185682086953,0.6186504187159253,-10.186356805153164,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.2892573376729715,8.105827211785622,8.909089901895246,9.693770400845134,10.455815744966335,11.19197794715848,11.899682817249378,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_31,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1590410770108445,0.77303304696362,1.8187241851784424,3.2918049205149704,4.726186940599238,5.676976724814802,6.17525469112839,6.407668780475003,6.494756996089192,2.765159291240684,0.6006576088552642,0.0104233796665382,7.459733234298797,3.890582266876713,4.249251631897384,1.1658941780092829,1.8222907556686696,3.740222254594832,0.1027503962396285,2.6442939255856985,0.6182623933232547,11.16646170313592,0.7947867932723851,1.4791463551357618,-0.1027503962396285,-0.0272163766446431,0.5463371159555149,-11.16646170313592,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.702795806172906,8.550127549652137,9.380186977999236,10.18701256470196,10.966202774505003,11.71448989777284,12.429543433606067,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_32,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1587960511517878,0.776838278115889,1.8350253668252647,3.3559855847149005,4.866035085756091,5.875176668217451,6.405483060278906,6.653070446685554,6.745875846944122,2.8077709590150377,0.6031098646070558,0.0101726139297712,7.748407050919193,3.949927431257532,4.486954326343975,1.178854744305808,1.625799955737333,3.2856391039771142,0.0419248719724969,1.9611989315173088,0.6448718453546814,8.967497218136604,1.2065512360123638,2.363060495288893,-0.0419248719724969,0.8711522602323882,0.6155244349739337,-8.967497218136604,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.001183613686787,7.80412190571552,8.59767187766884,9.376251618643382,10.135465690501256,10.871674463678838,11.581881065989654,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_33,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.159874070359351,0.7906930380859003,1.920734874254955,3.487947535334916,4.957015417150938,5.911054575325538,6.406463469088752,6.636620843560399,6.722723075283028,2.9358227886459827,0.611022649619577,0.0101461646988862,7.788778306652738,4.454992618149556,4.210766902904921,1.2453824588939315,2.003359490267964,4.163906636323132,0.1187151496545778,2.7350380822807514,0.626815237407037,11.7006321945559,0.9153182688239294,1.769615350392019,-0.0988930946342291,-0.1004764451471886,0.5455646911173986,-11.26454698410823,43.0,102.8073,3.0,2.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM0848,7.105443068972172,7.8685377083983346,8.626145222313733,9.37346739807373,10.106274144239077,10.820729208729407,11.51343939329842,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_34,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0983182781839089,0.7075834368980061,2.143473223997955,4.045031976142122,5.625448608103406,6.5830586895000565,7.065276061284173,7.286418134083202,7.368717287533127,3.4045385908252093,0.509422177480093,0.0034794386083134,11.41727952218999,5.432031423110415,6.898611646737416,1.625716438216794,0.5533317649554089,1.113497478337029,0.0096606947538911,0.630617322986538,0.2281188327416111,2.959872719854867,0.4567248174164974,0.9009088667163824,-0.0096606947538911,0.3794392593853683,0.2213563464138873,-2.959872719854867,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.620946198270338,8.48507224875795,9.33662157965878,10.168482236577804,10.97454674201074,11.749887888513,12.490844585334903,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_35,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0949852236469903,0.688868349195328,2.0882978492759907,3.9630942988627575,5.527589436050187,6.470328227400639,6.942416251666476,7.158223364587417,7.23842049113274,3.3292788659200343,0.4958581820514345,0.0032935166557434,11.280882979923266,5.123113393887488,6.922058874748065,1.5536314738673738,0.5991564536404539,1.218612417797248,0.022972371247038,0.7829354236167582,0.2235514257818057,3.45522969314303,0.3694327411700736,0.7130934428731275,-0.022972371247038,0.1856537711937693,0.207470765908879,-3.45522969314303,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,8.005748640919458,8.842217476694376,9.668645772465032,10.478252729694963,11.264704155578718,12.022664709380347,12.748060078996255,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_36,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163177269197235,0.8902246456902265,2.0772384674995923,3.707361891949207,5.186901963111039,6.125185414880875,6.606532274677497,6.8289267609057145,6.911934244265146,3.138880302574978,0.7026155400838396,0.0231073308589473,9.93240636817505,4.750313558832985,6.071372490927103,1.5568735857090072,1.5848324441896604,3.403703414926746,0.2356842609257888,3.4703065315959707,0.2633424484285447,12.63784743946408,-0.772010165068228,-1.7826513025609176,-0.2356842609257888,-2.6574842524745383,0.0983634657804927,-12.63784743946408,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,9.534045691637646,10.360932381178522,11.154463060156392,11.911857188454947,12.631385079191013,13.312173354556618,13.9540677705597,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_37,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0965191635354932,0.6965890854754191,2.100201914130111,3.952132726919499,5.481321705597439,6.400838688192282,6.861602526526097,7.072385151576845,7.150745022639343,3.3292756275206727,0.501797013662973,0.0033675467609884,11.024094667256668,5.121023516399935,6.755994917038441,1.5728252859456258,0.5941820695298272,1.195289907820319,0.0099736156327367,0.673970994591721,0.2457104916293918,3.1703826603038707,0.4944459132024601,0.9758153095418184,-0.0099736156327367,0.4146569881405664,0.2387289606864761,-3.1703826603038707,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.806317387866905,8.63355466898187,9.449645026817402,10.24921302456348,11.026885933935189,11.777884843385502,12.498372326785653,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_38,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005181962262802,0.708049180297782,2.1236820662170754,4.005687221347973,5.564910818218311,6.502332770362095,6.971682213461952,7.186274674175477,7.266030004759543,3.3714716821466832,0.5119504882467002,0.0036316270300412,11.25432695720035,5.294328087916522,6.885858979207798,1.6019034760884914,0.5351332302778317,1.076206091070771,0.0086935463925447,0.6046816014181898,0.2218338879876135,2.849537079240054,0.4481977663523837,0.8849000820586989,-0.0086935463925447,0.3786493952120255,0.2157484055128322,-2.849537079240054,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.519036695673251,8.355611354968161,9.180623068709467,9.987907404203805,10.772098846897514,11.52873199556983,12.25433597435339,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_39,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187042301076704,0.8985315368441912,2.0939667181277017,3.762093011360124,5.290214634299709,6.258480982745014,6.754064928005087,6.982707436632743,7.067989688389658,3.177132367106964,0.7096029478998612,0.0232101762827108,10.277713952477676,4.890561663017785,6.277159736506099,1.5790617914368137,1.5777950184365237,3.39310365195921,0.2390162626359873,3.489925119524422,0.2539632907617766,12.669300344902364,-0.8123676079233497,-1.8665734958022624,-0.2390162626359873,-2.7244977090112483,0.0866519069165856,-12.669300344902364,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,9.770642677273832,10.551806479713674,11.30291942498082,12.022150719865628,12.708110133305087,13.359887532582174,13.977072051158098,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_40,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1627453951399038,0.7938751987061138,1.9369805384993688,3.60851654903324,5.2243367719244125,6.281964551363986,6.8319133781886,7.087445233941508,7.183038065777935,3.010407407595828,0.6146893359590205,0.0106612625324404,8.602593063909694,4.729127763191475,4.688140739848869,1.2526052613121228,1.7743312970383496,3.607376140516652,0.0666710490375647,2.307699689338868,0.6645692102366318,10.205077465943043,1.1076208066627025,2.1402450374995405,-0.0666710490375647,0.5742524143621847,0.6178994759103366,-10.205077465943043,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.230274935103708,8.055586502534783,8.865976417527612,9.656546732027673,10.423501585093266,11.1637804286726,11.874952959144728,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_41,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1588192166907308,0.7727328615486281,1.82041730420318,3.2988569422513963,4.739075835634341,5.693918996595269,6.194375160059363,6.4278174308549625,6.51529287354057,2.770175205453022,0.6003075037686425,0.0103894904035083,7.489498147990161,3.908390134563045,4.2569735432959,1.1669921246515311,1.821952802746713,3.738730902053152,0.101957623975756,2.637613794552762,0.6195984522677449,11.14891649324869,0.8023765629891528,1.4951003685021724,-0.101957623975756,-0.0132844288168957,0.5482281154847157,-11.14891649324869,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.641342978728866,8.484598975819596,9.312964681814488,10.119803630318644,10.900182928559769,11.650433538077296,12.367930858127574,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_42,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1586658394468408,0.7763523350547351,1.8341529559638048,3.3541201027585945,4.862399179273815,5.870045540743895,6.399490642149208,6.646660605364304,6.739307197613046,2.806365207451148,0.6027084202244115,0.010164257522621,7.731926814800652,3.95033796601148,4.474426216058997,1.1781484627456662,1.6284416922319915,3.2910316462383378,0.0420451376179336,1.9648027931754608,0.6458219200096107,8.98311121351863,1.207990316052655,2.365806529484146,-0.0420451376179336,0.8716292151091856,0.6163903236770572,-8.98311121351863,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,6.965919496313318,7.773756418688025,8.571264404024996,9.353203397399009,10.115345230788456,10.854134465426991,11.56662139540515,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_43,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1600608655962498,0.7911607159882476,1.92064620324685,3.4859495371998253,4.952574085338215,5.904785313805324,6.399182234812253,6.628856047586967,6.714775269905456,2.934597690212154,0.6114634907162609,0.0101632811823069,7.786841478116827,4.449144468837293,4.212267461273089,1.2457147396714934,2.0101446852626945,4.179960926172168,0.1193311949456973,2.737828102863165,0.626957051257573,11.718621209004578,0.9199991639716794,1.7810390190041814,-0.0986979093125056,-0.1034280143712052,0.5453509881213493,-11.26468892507436,43.0,102.8073,3.0,2.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM0848,7.110273034822428,7.869406965426152,8.62407681051238,9.36926362562369,10.10055137940265,10.81395520967391,11.505966404834936,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_44,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0982176301213361,0.7073260773407394,2.14324244809169,4.044516218772893,5.62390542690628,6.580424399326219,7.061954017274237,7.2827502499128896,7.364915881149295,3.404204125263013,0.5091794947918814,0.0034731336200269,11.409908078988844,5.431562610480375,6.892390974680843,1.6253634578977894,0.5530407525242165,1.113035364405068,0.0097754043204206,0.6312439870875814,0.2277742517724877,2.9607118490294946,0.4552867093200102,0.8979225091239655,-0.0097754043204206,0.3770834747566452,0.2209314687481932,-2.9607118490294946,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.6550665310971375,8.520150752983675,9.371997804653262,10.203656589701806,11.00915558281139,11.783674967679216,12.52363580870498,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_45,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0949421445348711,0.6886619384691565,2.0878128521821018,3.962225517592784,5.525909426801162,6.467843902997218,6.9394339896861,7.154992205497082,7.235093443286717,3.328585174650541,0.4957014855345501,0.0032911527274207,11.27756747478709,5.119367566572163,6.92126112200822,1.5528110993036757,0.5977094631552919,1.2149303006590002,0.0222000104899504,0.7753095470748955,0.2243556914354478,3.4325475255754685,0.3757093582557873,0.7264075258221856,-0.0222000104899504,0.1981092743361836,0.2088156840924825,-3.4325475255754685,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,8.072177820177213,8.908423423159046,9.733724754892384,10.541592794630102,11.325910568765828,12.081500621708102,12.804401702382288,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_46,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163502095434545,0.8903877850081222,2.0781750983355,3.708513998549648,5.187433629905182,6.1251561741694855,6.606195690930832,6.828446256874549,6.911399867306323,3.140102003297273,0.7027104169705868,0.0231171664360247,9.935470217163422,4.752927382756254,6.070719369752015,1.557990493581516,1.5909083754045594,3.4172906714604663,0.2371097787338462,3.487786605275329,0.2633733919290673,12.696737451699722,-0.7801894119339028,-1.8004333066627618,-0.2371097787338462,-2.6770676418046726,0.097396546815375,-12.696737451699722,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,9.59700639820987,10.422216611361808,11.213493134565246,11.968272478635578,12.684999578999305,13.362928096976894,14.001990296509462,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_47,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0965793830980875,0.6968726248855197,2.1004888047166417,3.9518797413963207,5.480497958594111,6.399752481758375,6.860429855432455,7.071185136937047,7.149536939746091,3.329245837235653,0.5020296175889242,0.0033692698522534,11.022187949249057,5.1196754187787885,6.754686304332006,1.5733451975399768,0.5936343816956149,1.1943609023778865,0.0101319805270916,0.6746902259123476,0.2451698363662519,3.170811519019907,0.4923145764246989,0.9714014022493614,-0.0101319805270916,0.411258732207966,0.2380774499972878,-3.170811519019907,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.852759238851624,8.678438873472263,9.492580742375338,10.2899725605111,11.065372086790411,11.814094066940855,12.532363126370168,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_48,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003516569669732,0.7073150216381389,2.12208089699708,4.003911441194427,5.564054250756472,6.502556298745637,6.972597362484768,7.187539148019903,7.267429552316065,3.3696138415131816,0.511380537322987,0.0036210236722343,11.24918020473951,5.288157758152455,6.886275016561591,1.5993492817512365,0.5348718156098985,1.07568120830891,0.0086901221591535,0.6043927928831269,0.2217239788979919,2.8481615212325635,0.4479705940183631,0.8844505513332134,-0.0086901221591535,0.3784496167451347,0.2156408933865845,-2.8481615212325635,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.520750523302805,8.361216661794911,9.189353332962137,9.999109609830008,10.785219461784372,11.543304328093456,12.269969206185964,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_49,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186274814824565,0.8982027904082301,2.0928741642115662,3.7608971785684826,5.289512465716387,6.2581042523814965,6.753826022767223,6.982522940416636,7.067823846028759,3.1758466543421986,0.7093669908582513,0.0232011733356115,10.274203861435383,4.886845032307489,6.276975111575825,1.5775790689500926,1.5810117229991418,3.3995396788367294,0.2390364293977664,3.493303158181273,0.2553569116138058,12.685787202951037,-0.8093525709785224,-1.860581249004408,-0.2390364293977664,-2.7216440061606537,0.0880314110353696,-12.685787202951037,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,9.81052953224633,10.591653550802102,11.342156692312802,12.060386346772896,12.745090633473648,13.395461063682143,14.011159170910432,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_50,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1628419962650908,0.7939468068761988,1.9369524407887984,3.6084982828961327,5.223787964591247,6.280715169187261,6.830194710707787,7.085485195090088,7.18098402025286,3.0104278578282866,0.6147888159199444,0.0106790435965166,8.595457711865363,4.7317925520335,4.680056565432377,1.2519975540313102,1.7728291536584615,3.60379516188165,0.0661034706577995,2.301656918920858,0.664964965894641,10.1862151814483,1.1117944470804657,2.149153916252029,-0.0661034706577995,0.582966681818069,0.6186925364341815,-10.1862151814483,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.289865558262647,8.106260344515574,8.909382538684927,9.693949653752863,10.455903707547897,11.191992919503784,11.89964000090766,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_51,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1590604805402706,0.7730640675559177,1.818735100497589,3.291819874512757,4.726216907537162,5.6770159945063385,6.175298306025945,6.407714289906376,6.494803193849153,2.765169957000276,0.6006900140742759,0.0104255917103466,7.459675552931737,3.890671471924466,4.249143628700908,1.1659229312363135,1.8221733104152784,3.73995052642746,0.1027140229490982,2.6438854940080643,0.6182783301052399,11.16514701105836,0.7950330809242967,1.4796750401406211,-0.1027140229490982,-0.026679102668489,0.5463785140408712,-11.16514701105836,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.702900947577954,8.550425950029748,9.380618171146676,10.187531833623678,10.966777423175175,11.715096222262869,12.430164385512349,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_52,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1587959580760267,0.7768360040237591,1.8350387646954585,3.356010353069375,4.866052570317368,5.875183446628553,6.405482838574181,6.653066670555887,6.745870693756746,2.807794465508992,0.6031072255084949,0.0101728919626228,7.748271801142588,3.950086898484419,4.486759601703395,1.1788835209785868,1.6258539074065723,3.2857503785968074,0.0419284375132248,1.9612814075123708,0.6448891684586284,8.96783828729736,1.2065695322743244,2.363093308330788,-0.0419284375132248,0.8711420321685257,0.6155392621993709,-8.96783828729736,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0848,7.001870610498177,7.804692901570432,8.59813978914234,9.376629062001944,10.135764825821758,10.871906681431415,11.582056736950308,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_53,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1599144039287451,0.7907814413768606,1.920786633308334,3.4879597598141703,4.957049483008592,5.911123778447652,6.406555534728305,6.636724418858144,6.722831089007896,2.935840741295945,0.6111063271193486,0.010150932647487,7.788782000395416,4.455039058457984,4.2108106773209535,1.2454408443075533,2.003445753432107,4.164106978421583,0.1187232373512764,2.7350946394203084,0.6268202365564868,11.700926306916369,0.9153665675657112,1.7697321498049146,-0.0988925998220027,-0.1005214563420787,0.5455648299133256,-11.264652281272344,43.0,102.8073,3.0,2.0,0.8900000000000001,66.0,-5.0,-11.00276,-1.0,-13.0,-0.7699999999999998,-45.0,RSM0848,7.105461978863127,7.868566133164546,8.626176407357384,9.373497172587124,10.106299995688511,10.820749742341336,11.513453978885968,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_54,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0727409074258855,0.3553579084308866,1.1185915834975615,2.5684477902739253,4.079470867264987,5.089569122736557,5.618514122929252,5.864945090594229,5.9572287684784095,2.0282428616495443,0.2676357616631201,0.005443841032728,6.9393594129635785,1.8535149996472096,4.289621981349977,0.2122861627845339,3.956953643092605,8.9667033143151,0.3440786503196205,3.509442288236664,0.5499946355487683,13.126411249232945,0.2754903199373664,1.234374417515961,-0.0343876286345006,-3.509442288236664,-0.5499946355487683,-0.1199085141612944,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,14.25078968711691,15.103660037653944,15.859116287652858,16.53264921310648,17.136614986237184,17.68088165028948,18.173388280384696,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_55,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0668772873244202,0.3511602488112273,1.2605585756333502,3.104836220248747,5.001932550338859,6.246037739219349,6.890408022851702,7.18906471956468,7.300661967767008,2.417174477010699,0.259025170169577,0.0046108812831351,8.977368152076865,2.7269556309545155,5.278888538015809,0.362195028834556,4.383896309231133,10.16749079362257,0.2743099408974271,1.5069966059582207,0.5400137447839278,11.367740889246786,2.3234117052380765,5.998528420002479,0.2164686943076369,-1.5069966059582207,-0.5400137447839278,9.343297258604128,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,16.029306168917145,16.735088744830446,17.358645157543535,17.915302536912485,18.416029081040858,18.868918175538905,19.28015737803362,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_56,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0627155915608782,0.3484284136749914,1.216611871816565,2.8711351586290563,4.564479691997912,5.684943099032227,6.269021022794918,6.54061028885746,6.64223528583611,2.2586944320932334,0.2550190797957189,0.0040276511183459,7.790343835962257,2.3777319595385595,4.742796278630262,0.3357927694202035,4.596986331849009,10.744296995216471,0.2806402886422346,1.1252703065174972,0.5088688902462886,11.090219640752286,2.963993400836312,7.479250122157617,0.2726021308225449,-1.1252703065174972,-0.5088688902462886,10.808884117063148,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,14.391702922715112,15.29468023651332,16.09453311285118,16.80635827279397,17.44239625307881,18.012647904978483,18.52539007000731,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_57,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0752862805053809,0.3483254053936244,1.0728707127348134,2.5180684425776456,4.07576126766456,5.13314343221189,5.690352392746096,5.950624787856175,6.048192368331998,1.971852684894124,0.2657052356348129,0.0058618046416781,6.416505097927758,1.5823912974500185,4.167591173807796,0.1827804269367954,2.641385376955779,5.5726483326246505,0.2859868847708022,4.885098575236981,0.6313808676139068,13.11500007017901,-2.582951277752751,-5.431809896636739,-0.2817112189754588,-4.885098575236981,-0.6313808676139068,-6.754433560940126,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,16.78938529561328,17.347746322377976,17.847492649450395,18.2996454286098,18.71213163972181,19.090703682734105,19.43961432277618,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_58,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0685730194695504,0.3533791695409581,1.1430789019116951,2.5951115449421893,4.073770438881607,5.051810211847699,5.561641381136242,5.798708829920917,5.887416628832029,2.0594986768335937,0.263033577097969,0.004828088867633,6.606961978008102,1.839246450902116,4.187056440287568,0.2885374606174615,3.1355065273563465,7.119053220326556,0.2686881829285442,2.669762995013293,0.4292015295268344,10.23612746816058,0.3233711767284164,1.2175675672068722,-0.015599570434537,-2.669762995013293,-0.4292015295268344,0.2860561004527365,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,14.483134852334338,15.334273210890592,16.0885632798704,16.760945513429316,17.363411028645803,17.905613253722848,18.39539317666012,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_59,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681490640842998,0.3555598018440464,1.2454515471242027,3.043613029323544,4.913638465964898,6.149332855080195,6.791645338489404,7.089810269824625,7.201293932607984,2.3709278409076773,0.2630430958474976,0.0047700361059727,8.368429454811976,2.4933015507109344,5.180484235653092,0.4055840626799148,6.134208122256077,14.42817424735256,0.3861086398260115,1.2434986844599325,0.5951853505658212,14.068369098761895,4.419428032988237,11.008302576321242,0.3861086398260115,-1.2434986844599325,-0.5951853505658212,14.068369098761895,41.0,98.8186,3.0,0.0,0.0,76.0,-2.0,-3.9887,0.0,-3.0,-1.66,0.0,RSM0848,15.335883260041198,16.08296272170887,16.74876123591351,17.345888815015957,17.88422130989518,18.37158100429832,18.814264781943017,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_60,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0674535616938099,0.3449157944281504,1.0889916564425692,2.471566127981692,3.906714844907163,4.866353660806581,5.369079324509242,5.603344299060618,5.691079998959495,1.957938911252779,0.2579927854473078,0.0046814748656098,6.746067390377579,1.7246103139549591,4.143224255168466,0.1453420193812366,2.645768574482871,5.570086215509164,0.1804260851799203,3.611750750050009,0.7546714203783401,12.235487723099563,-2.014333518329284,-4.048195282825777,-0.1342235200955115,-3.611750750050009,-0.7546714203783401,1.222751538459449,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,16.053410415647765,16.70741547390442,17.29342735450011,17.82258651151745,18.30311189237057,18.741258532638646,19.14194366902373,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_61,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683288097115314,0.3459990489985243,1.117866117674518,2.6057686591181395,4.167199644831825,5.215144399589336,5.765016168850747,6.021434557167649,6.117495677568006,2.0498277363334347,0.2589524164082227,0.0048081327510828,6.951263875094546,1.8855470675909525,4.223711496134994,0.1738347950260093,5.273438553846717,11.89289496735794,0.5012030978093884,5.46696115691079,0.7323359628055578,18.42723823465256,-0.2263356713998635,0.2716816399435926,-0.131902886898643,-5.46696115691079,-0.7323359628055578,-3.731471230128537,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,14.88147219471836,15.660044502363698,16.353113517111698,16.974504283390335,17.534817744538103,18.042331601259946,18.50364288494814,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_62,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0010200091051455,0.0927064993782427,0.882058053808024,2.844435707996188,4.965599960389612,6.3742955219922095,7.106255014737002,7.445812838029808,7.5727288248448925,2.093037923010463,0.0453483514334662,3.602527011336494e-07,7.790141274840222,2.3253677266708,4.38271772609033,0.1919643961683587,16.776556552466328,40.42220089944269,1.2252973426837956,1.2561235451382526,0.6917155230439336,31.19499702692844,16.714904147557416,40.2992444257126,1.2252973426837956,-1.2561235451382526,-0.6917155230439336,31.19499702692844,41.0,98.8186,3.0,0.0,0.0,76.0,-2.0,-3.9887,0.0,-3.0,-1.66,0.0,RSM0848,16.861693953422634,17.910533600864852,18.78032458709668,19.505069995031207,20.112533983763445,20.62497211110528,21.06008881011812,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_63,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0725416311921717,0.355402952608308,1.12184106976788,2.5787475441921544,4.096053050855435,5.109753453402054,5.640423617413792,5.887624278209634,5.980190894802264,2.036006936838118,0.2674956776652432,0.0054128673188108,6.964702264505588,1.8693671645569103,4.298049954785655,0.216598157233499,4.057198909363624,9.212327199899438,0.3507941691927498,3.4911632029709,0.5515630910290427,13.26924956727652,0.4030575892597189,1.5378265277800895,-0.0244339375861637,-3.4911632029709,-0.5515630910290427,0.136265830014541,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,14.35461680270989,15.195014998676172,15.94071698788645,16.6063877902391,17.203847614681603,17.742609609106264,18.23037250099209,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_64,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671187066874449,0.350473347309636,1.253138130518462,3.0873075639350533,4.977137784877521,6.2173277606319255,6.859823939477479,7.157637585483018,7.268923329915162,2.4029256503824463,0.2588863434215496,0.0046460721620707,8.929064916740133,2.6923444890358423,5.261215651369255,0.354314565552928,4.338679763218955,10.05123052765905,0.2724722117143537,1.5545245285433087,0.542331857423512,11.365215787669433,2.226521851749093,5.772282455484402,0.2079083942589181,-1.5545245285433087,-0.542331857423512,9.105482176729186,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,16.374324068902894,17.04267655144794,17.634425078161886,18.163808731696484,18.640958439000844,19.07332141929384,19.466580661082727,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_65,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0628341763620581,0.3487907520814822,1.216777482441305,2.8695773767564314,4.560785543901973,5.679830522621109,6.263178281216995,6.5344304709497765,6.635929735302696,2.2578606278865143,0.2553250579234184,0.0040423631029589,7.760718906416024,2.3713225241899987,4.729532531670401,0.3398279791001859,4.661534019077056,10.902085222243423,0.284373799258243,1.10770732259925,0.5107973243581572,11.179970019899097,3.047546649061452,7.678416214647112,0.2797052740201844,-1.10770732259925,-0.5107973243581572,11.016571636567049,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,14.747438410284357,15.616117181136506,16.384892104658476,17.06889891520255,17.68020545683473,18.228544730496008,18.72189508870057,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_66,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0754091627169833,0.3490692630981349,1.073487066084862,2.510982859749782,4.057474879234447,5.106655118909447,5.659433963099002,5.917617978887592,6.014399950918987,1.968200798787064,0.266199101768739,0.0058800530704643,6.382660049242665,1.5714510004368212,4.154720021742104,0.1854762816810656,2.66132071016492,5.613919078135374,0.2894633859629805,4.942048238623517,0.6353603839665444,13.233823500136907,-2.615057422130884,-5.502414849966589,-0.2860782673263437,-4.942048238623517,-0.6353603839665444,-6.91013436498944,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,16.111819704290266,16.766839046723838,17.344734279663093,17.86075561225498,18.325979921322595,18.748524684293272,19.134434490049493,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_67,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0685803890936311,0.3538735090929212,1.146346158699991,2.6027114654425865,4.084336556889708,5.063770104238269,5.574190865116951,5.811504819843815,5.90030063710104,2.0656886726788426,0.2632950836415949,0.0048279763385611,6.6252699677149325,1.8483399307129669,4.19766226607054,0.2922864656668706,3.21934045482926,7.31122438800182,0.2778187071091773,2.757506618773576,0.4371666994321687,10.51145274853575,0.3309731971092307,1.2457762131066938,-0.0180396594063608,-2.757506618773576,-0.4371666994321687,0.1564099204919109,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,15.431962287761277,16.17364151124748,16.83424468309032,17.426319892269955,17.959745070011028,18.442370046012257,18.880523501407342,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_68,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.068215916256365,0.3561537949867187,1.249765318833632,3.054663370962917,4.93045640188367,6.16973831760648,6.81390370876439,7.112930844644655,7.224737516582373,2.3796628825908828,0.2633890774892565,0.0047784720597496,8.41554512043162,2.5146684185653414,5.206449848914231,0.410403282945397,6.14097046462532,14.443604618528624,0.3864506688881015,1.2459286587093668,0.5963037422552124,14.087473560938232,4.422014484982788,11.015404760528542,0.3864506688881015,-1.2459286587093668,-0.5963037422552124,14.087473560938232,41.0,98.8186,3.0,0.0,0.0,76.0,-2.0,-3.9887,0.0,-3.0,-1.66,0.0,RSM0848,15.330543036031274,16.079414326391653,16.746702722635668,17.345006490477616,17.88423454933637,18.37225650469524,18.81541658016779,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_69,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671240135029537,0.3454547148598468,1.0940939217905148,2.4827342211942343,3.923607751978162,4.887195557804539,5.39205168556423,5.627324660564849,5.715440372371897,1.9670142721619268,0.2580306467249527,0.0046327261308291,6.774501168672786,1.7426966848967207,4.152889197540447,0.149018265417416,2.6772420609964187,5.655201497600931,0.1924512599775253,3.6952349117692656,0.7383181396797553,12.300909941319045,-1.987361209675722,-3.992443939202897,-0.1419721732955232,-3.6952349117692656,-0.7383181396797553,0.5960897767623434,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,15.398548869397906,16.133264062357846,16.787173792622642,17.373743494278116,17.90308499411307,18.382978386297324,18.819566471217648,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_70,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686062274151642,0.3457877476645396,1.1125700416475706,2.595116689233008,4.155241706098588,5.203719026238088,5.754203584029396,6.010975849504581,6.107180038585279,2.040533369017083,0.2591167047019163,0.004848042875387,6.9298814255609065,1.871007794398824,4.211898104543808,0.1691806007794645,5.270193930124632,11.877285322299905,0.5022173803100053,5.517071667709403,0.736987744668521,18.505145322695903,-0.2829257526824988,0.1430770952460266,-0.1372953185459468,-5.517071667709403,-0.736987744668521,-3.87779913726242,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,15.20844060797947,15.953259279335798,16.616334164663222,17.21123515510246,17.748219851613335,18.235205830468367,18.678446223384515,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_71,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0010199193915607,0.0919918198830981,0.876623196600157,2.832712483543117,4.949951452878861,6.356754827641088,7.087864074545514,7.427050635601077,7.553831144178035,2.0832518676404246,0.045020585235023,3.667547879667917e-07,7.745076238399365,2.306673907146012,4.360184066594343,0.1908373258323044,16.790910828316484,40.45632848525201,1.2262650943180928,1.2582196336206404,0.6927531221789783,31.225155085904422,16.72700174971139,40.328871414335936,1.2262650943180928,-1.2582196336206404,-0.6927531221789783,31.225155085904422,41.0,98.8186,3.0,0.0,0.0,76.0,-2.0,-3.9887,0.0,-3.0,-1.66,0.0,RSM0848,16.701752981678073,17.77077376653832,18.657654073949026,19.39685714166671,20.01657816625,20.539446893021648,20.9834812151071,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_72,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0726520094132852,0.3552136532158704,1.1184987120996237,2.5684008233793723,4.079463012711011,5.089587785054379,5.6185467789406776,5.864984276172928,5.957270399667672,2.0281813444558128,0.2674901722079327,0.0054304639266074,6.939101613060691,1.8534648404336216,4.289484461253077,0.2123487646113614,3.959665342736389,8.97321553717077,0.3442930167687182,3.509945924454073,0.550105920517388,13.131807386847491,0.2779670975769831,1.2403675132280316,-0.0342223504043252,-3.509945924454073,-0.550105920517388,-0.1162304642090326,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,14.229959242757827,15.084617587834426,15.841781361788902,16.516895723065584,17.12230082477106,17.667864313943248,18.161532705538733,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_73,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.066936445197279,0.3511859453705525,1.26012065668533,3.103922965545417,5.000833818889547,6.244892003881288,6.889251696694756,7.187905888112518,7.299502542653169,2.41638762440932,0.2590895817002597,0.0046191676090653,8.975184530110237,2.7248996711852214,5.278485049697922,0.3618561411367621,4.386304029331922,10.172997927021497,0.274560574403476,1.509424238595018,0.5402643181401675,11.37564908553948,2.3236295133956006,5.999349360426647,0.216410172625367,-1.509424238595018,-0.5402643181401675,9.34038502330566,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,16.160340357571602,16.84802206701242,17.456819396005276,18.001317405473287,18.49192818314677,18.93632516096849,19.34037562079325,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_74,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0627305761725286,0.3484609412293303,1.216590541464989,2.870999667077601,4.56426944688592,5.684705325740199,6.268775163919952,6.540362050414473,6.641986376188731,2.2585966805453093,0.255050561790054,0.0040295374974308,7.789173154819852,2.377421731111913,4.742168201297058,0.3358390570923488,4.598508120166921,10.748012075570909,0.2807237300694395,1.124820668182708,0.5089231336870574,11.09233784700194,2.965961847385623,7.483947239931234,0.2727740724344051,-1.124820668182708,-0.5089231336870574,10.814099829775737,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,14.407279131853675,15.308404055994956,16.106686163563946,16.817175883570638,17.45207367723797,18.021346958903266,18.53324514087481,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_75,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0752622000923873,0.3482469201198501,1.0726308875705854,2.517744120398897,4.075457527754188,5.132870255081345,5.69009686371458,5.95037760884025,6.0479483227226405,1.9715393419372187,0.2656463477225323,0.0058581118974393,6.415548296797717,1.581786559320782,4.16712134090501,0.1826301641747849,2.640657128230112,5.571101705477399,0.2858881068101206,4.88354635689582,0.6312360401976944,13.11128861324462,-2.5821783973131605,-5.43015569769716,-0.281609175279612,-4.88354635689582,-0.6312360401976944,-6.751116259896018,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,16.793487537825758,17.351195938444214,17.850433722793877,18.30218334886915,18.71434487557825,19.092651661078293,19.441342777243182,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_76,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0685926686520175,0.3534228812166951,1.1431312061283991,2.5951753979442973,4.073867831204389,5.051940326171989,5.5617912757811405,5.798868486153577,5.88758002465063,2.059555930598921,0.2630731756414428,0.0048308284992956,6.607432234307041,1.8394402698398336,4.187326472147085,0.2885513103854245,3.1346159539023986,7.116884948453605,0.2685870853811996,2.6693426419853674,0.429220876576911,10.23433574772659,0.3225701684728189,1.215658772340241,-0.0156222471586226,-2.6693426419853674,-0.429220876576911,0.2870091088328118,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,14.464918833998285,15.31792016642778,16.07384116252768,16.74764722887767,17.351356312078618,17.894647087234823,18.38538291975969,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_77,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681662676793103,0.3555963308731818,1.245555101481155,3.043855331048261,4.913994597388375,6.149753043324687,6.792096373354462,7.090275156667544,7.201763929351295,2.371122123765183,0.2630754490727261,0.0047724525050604,8.369509603983888,2.493806573736528,5.181009576161876,0.4056542773838691,6.134245784077093,14.428216669250515,0.3861028881880965,1.243609200361204,0.5952339070477797,14.068804728297318,4.419233159730879,11.007881241885642,0.3861028881880965,-1.243609200361204,-0.5952339070477797,14.068804728297318,41.0,98.8186,3.0,0.0,0.0,76.0,-2.0,-3.9887,0.0,-3.0,-1.66,0.0,RSM0848,15.351016197487867,16.096424142701814,16.76076442513293,17.356624568241138,17.8938565046877,18.380259709165973,18.82211049568975,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_78,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0674698656596756,0.344966333708143,1.0891579688949888,2.47193393121388,3.90725332123484,4.8669912662847,5.369765317419414,5.6040521332600886,5.691795905779421,1.9582367684876347,0.258032388609601,0.0046837039724734,6.74752059822774,1.7250908384723096,4.144108304632036,0.1454154481938433,2.6457623652145617,5.570260851553819,0.1804900844758531,3.611718877488256,0.7544536145746568,12.234338001947425,-2.0136162134449376,-4.0466560292791405,-0.1342354880049051,-3.611718877488256,-0.7544536145746568,1.218942965120884,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,16.05161038228658,16.70638918927755,17.29295799683496,17.822521597291612,18.303341561585228,18.74170217279117,19.14254133189184,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_79,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683366487323402,0.3460220756427105,1.1179730549560691,2.605998562281694,4.167502215054411,5.215478544155709,5.765363199590811,6.021786886726926,6.117849885594257,2.050020046156417,0.2589698753011476,0.0048092325202468,6.952224891613604,1.8858202227400689,4.224407495255625,0.1738808680115229,5.2735349601704025,11.893084654532007,0.5012165854628468,5.467238700705186,0.7323665205471658,18.427872644905708,-0.2265289385611242,0.2712584978338134,-0.1319234619304606,-5.467238700705186,-0.7323665205471658,-3.732029013860051,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,14.878787497680388,15.65761965158528,16.35092293566817,16.972522664157722,17.533021404186922,18.040699085476668,18.50215513356994,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_80,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0010208197462996,0.0926823404313689,0.8818651565484982,2.8441255430819328,4.9652684277468095,6.373970603376875,7.105937697682464,7.445499871139244,7.5724176103532,2.092752854693951,0.0453403753641478,3.614843813022775e-07,7.788927349293332,2.324814490489433,4.382212505009551,0.1919640982538632,16.781640972494863,40.43443311624063,1.2256654493767838,1.2565452803889308,0.691943073455559,31.2045905392726,16.71988131047057,40.31126273428249,1.2256654493767838,-1.2565452803889308,-0.691943073455559,31.2045905392726,41.0,98.8186,3.0,0.0,0.0,76.0,-2.0,-3.9887,0.0,-3.0,-1.66,0.0,RSM0848,16.841655467748314,17.892861065650184,18.76469841925755,19.49120326938653,20.100177906789696,20.61391468130113,21.05015086385563,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_81,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0725844496918253,0.3554825458317606,1.12190922444661,2.578780245670888,4.096051208628915,5.109729798504238,5.640388897892561,5.88758448287479,5.9801492112965455,2.036052632701228,0.2675717866264118,0.0054192647184425,6.9648271822160925,1.8693348302809536,4.298163675761379,0.2165751363112168,4.057598645530248,9.213234068968486,0.3508526000842072,3.4918108891538733,0.5515926142761628,13.270791552498752,0.4029481557294732,1.5376193489574626,-0.0244711268213008,-3.4918108891538733,-0.5515926142761628,0.1344611108059708,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,14.366184715359037,15.205577118260534,15.95038087901861,16.615248919110588,17.21199051425309,17.75010896288593,18.23729420216579,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_82,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671558758246769,0.3505478813692529,1.253208637564879,3.0873974546835057,4.97726734341453,6.217487435274718,6.859999956349411,7.157821311695536,7.269109956634765,2.403004722396531,0.258956970911657,0.0046511847637874,8.9296975716547,2.6924478124559457,5.261607863664294,0.3542958778047327,4.338490004326088,10.050734604542477,0.2724659471977101,1.5547778146722695,0.5423463388503533,11.365293086575935,2.226059365243444,5.771206330378104,0.2078669335024995,-1.5547778146722695,-0.5423463388503533,9.104327607243563,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,16.38953181923613,17.056023931141894,17.646218362500854,18.17429353334841,18.650332883384227,19.08174659305798,19.474188648140363,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_83,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0628903591470521,0.3489126493253365,1.216879468998702,2.869570946417989,4.560681704220091,5.67967443035108,6.262998546525077,6.534240527898576,6.635736096184069,2.257894379635216,0.2554375873354698,0.0040495860288453,7.760518921829787,2.3713502127483186,4.7294059381618,0.3398631414854713,4.661697446672026,10.902484474226414,0.2843881468464991,1.107725542562784,0.5107971886812473,11.18024621439756,3.0477270770096063,7.678845726648849,0.2797160865936203,-1.107725542562784,-0.5107971886812473,11.0167241055468,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,14.753170487964686,15.621552935192732,16.389985145638885,17.073636919366034,17.684595438544292,18.23260405757261,18.72564608379109,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_84,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0753786730776566,0.3490136595018633,1.073442163088009,2.510969711318715,4.057507619893194,5.106725381147005,5.659525752133966,5.9177201976842335,6.0145061380319,1.96817454188816,0.2661455686775691,0.0058753209332845,6.382756742715003,1.5714528826893792,4.15482416918606,0.1854759491937719,2.661370975514537,5.6140171746662215,0.289462394518852,4.942095583072784,0.6353854967589514,13.234085252275245,-2.615114314472753,-5.502528918938814,-0.2860777607840872,-4.942095583072784,-0.6353854967589514,-6.909820183327627,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,16.09641828546565,16.75363540824451,17.333288981567055,17.850735755250856,18.31713042924529,18.740647706076704,19.12737463688462,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_85,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686157577110295,0.3539471103322827,1.1463963206527332,2.6027144623033243,4.084334019683737,5.063777688567141,5.57420649088468,5.811524687275345,5.900322164666056,2.0657032448277084,0.2633636498120969,0.0048329353803972,6.625286044996366,1.8484048276051013,4.197602359871701,0.2922464881875955,3.218619683707776,7.309540964155494,0.277736700040976,2.756846770481598,0.4371264629868127,10.50934067259591,0.3307457051862051,1.245174124111793,-0.0180270374389773,-2.756846770481598,-0.4371264629868127,0.1576098607975408,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,15.440697465134669,16.181384852386433,16.84114093833003,17.432489489886738,17.965288394453577,18.447371080914657,18.885052816169257,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_86,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681836429458593,0.3560877343044326,1.2496389578925349,3.054461593495662,4.930238373442289,6.169534363556451,6.813713597811795,7.1127485606371375,7.224558379553622,2.3794809598100644,0.2633290653076161,0.0047739323296598,8.414880671138716,2.5142775322334696,5.2061230448297495,0.4102793604443326,6.141671969120272,14.44535509293676,0.3865125029817882,1.2458469313509537,0.5962740722742015,14.088322217384464,4.4230031123819415,11.01772785850067,0.3865125029817882,-1.2458469313509537,-0.5962740722742015,14.088322217384464,41.0,98.8186,3.0,0.0,0.0,76.0,-2.0,-3.9887,0.0,-3.0,-1.66,0.0,RSM0848,15.319440903638354,16.06984252372335,16.738399976953673,17.33776112851055,17.87787479126087,18.366642530417288,18.810434142006027,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_87,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671387902539694,0.3454778627833134,1.094131921577574,2.482874049210118,3.923900879838685,4.887605946802457,5.392526627218113,5.627830264462963,5.715957544817177,1.967109071415572,0.2580541443632086,0.0046347971008158,6.775222046480124,1.7427608842468352,4.153468101921152,0.1490479944567709,2.675686954791108,5.651812788120791,0.1922412948362897,3.69231462057218,0.7380754039303651,12.2937888483863,-1.98622210287888,-3.9900578755555767,-0.141792647135395,-3.69231462057218,-0.7380754039303651,0.6026008793773341,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,15.384766103598244,16.121093896895225,16.77635395764261,17.36406229188845,17.894371191764762,18.37509285481853,18.812395466122823,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_88,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686218633418486,0.345837554253167,1.1127172909059184,2.5953373941711027,4.155446689650083,5.203882938157862,5.754338830806452,6.011096297802615,6.107294724355462,2.040740393076949,0.2591552273348291,0.0048502174123768,6.930120264111713,1.8712922663092024,4.2120101297108805,0.1693249180653447,5.2703971363751885,11.877853643998815,0.5022487324291575,5.516944956080991,0.7369167272949828,18.5049530508301,-0.2823608902840349,0.1443599800983358,-0.1372704705200487,-5.516944956080991,-0.7369167272949828,-3.878219052392119,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0848,15.223339603140866,15.966512510460388,16.62817688193301,17.221866564778608,17.757807256178925,18.24388939750602,18.6863434906918,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM0848_89,RSM0848.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0010195364937369,0.0919738429557983,0.8765675716082506,2.8326549915141808,4.949896091944994,6.356694637559626,7.087799190668711,7.42698307399694,7.553762501481374,2.083192429554664,0.0450100621896609,3.665286778663704e-07,7.744931146698365,2.306542421454664,4.360148194543666,0.1908141771030694,16.790163095730218,40.45452688439775,1.2262104862558951,1.2581636031555443,0.692722272748606,31.223764569647592,16.72625686193092,40.327075487020124,1.2262104862558951,-1.2581636031555443,-0.692722272748606,31.223764569647592,41.0,98.8186,3.0,0.0,0.0,76.0,-2.0,-3.9887,0.0,-3.0,-1.66,0.0,RSM0848,16.677191306847376,17.748759870679564,18.637946364888386,19.37919754046153,20.00071979945872,20.5251656822136,20.97057929896922,"[In].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[O],sra.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [In], [O], topology sra"
RSM1511_0,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0028891161455697,0.1722737335459741,1.2886002877381697,3.7066961437440726,6.158994349769775,7.737546509545765,8.545919237862943,8.918512330541702,9.057404928981684,2.806057262463287,0.0904366219524074,2.4686225643607984e-06,12.306255371389858,4.058072566756319,7.258171693740596,0.4491638362615333,19.162328415839884,42.18997801978047,2.027054735973314,7.000000000000001,1.1872740217824165,62.082189438932566,-19.162328415839884,-42.18997801978047,-2.027054735973314,6.621233696373602,1.1872740217824165,-62.082189438932566,-19.0,-41.8383,-2.0,7.0,1.21,-61.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM1511,21.500266778886623,21.86363764784696,22.14898148673076,22.37682974975061,22.561473725343102,22.71307515360253,22.83900266021975,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_1,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0028858003651971,0.17226881938107,1.2888169046349762,3.707301793863552,6.159872358423892,7.738562741541737,8.546998581603747,8.91961933186186,9.058522029447186,2.806536398086781,0.0904236480116334,2.457413730974753e-06,12.31064659407669,4.059260570704211,7.260890663264291,0.4492221737204483,19.161815360553486,42.18886650602472,2.0269692267589137,6.999999999999999,1.1873458495225122,62.07876907035657,-19.161815360553486,-42.18886650602472,-2.0269692267589137,6.622430825375205,1.1873458495225122,-62.07876907035657,-19.0,-41.8383,-2.0,7.0,1.21,-61.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM1511,21.49544538599526,21.85955903316575,22.145493499097576,22.373817261012427,22.55884857925433,22.71076902916405,22.83696198127125,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_2,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416449788600186,0.5109009389180065,1.4495516533229376,3.079310210326833,4.704353816936815,5.775847661973436,6.334550948496623,6.594458569413119,6.69173580850156,2.485260085995005,0.3989837744871845,0.0202545335990042,8.642648740355448,2.5750297733767336,5.599991665578553,0.4650763894460338,3.5024940877740134,7.5374797082439455,0.5983339297913116,7.021479370290416,0.2434387096943098,25.069613916757792,3.5024940877740134,7.5374797082439455,0.5983339297913116,7.021479370290416,0.2420446765949082,25.069613916757792,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.257320139714316,3.859279044962898,4.490119261559773,5.134130387467755,5.778203749690847,6.412252841149359,7.029098489523707,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_3,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409348454370165,0.4750053481841609,1.172766685829327,2.2610769578810603,3.3227101644575585,4.026087237753344,4.3948936424871725,4.566985339880922,4.631482351644349,1.870730349210898,0.3801830884563302,0.020220182626852,6.275785322223804,1.1362218217341853,4.395392677270388,0.0721126933835434,3.539503406383002,7.507932811918346,0.5527625207537905,5.858092536906946,0.2040595653418452,22.17908437832266,3.539503406383002,7.507932811918346,0.5527625207537905,5.858092536906946,0.2040595653418452,22.17908437832266,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.701991952568883,4.3964301100936245,5.106476306947486,5.814197895895492,6.506323361443166,7.173859161519654,7.8113633585173154,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_4,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418542611413983,0.5029555075166598,1.4103355080408728,2.7886130019055577,3.973660272750652,4.690499446348225,5.049503929834459,5.213590347386118,5.274561686713509,2.3138554632836685,0.3934686173142138,0.0204422302051186,8.763617418018843,2.133214163608047,5.8287468863772265,0.2452116374553344,0.7159087396735377,1.5753944089060827,0.1431817479347075,1.8613627231511976,0.0501136117771475,6.443178657061838,0.7159087396735377,1.5753944089060827,0.1431817479347075,1.8613627231511976,0.0501136117771475,6.443178657061838,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.782012947574864,4.477754174770456,5.184374367293418,5.885506566859148,6.569246687514711,7.227642274916281,7.855970772636625,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_5,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409934282133336,0.4903549341718595,1.289512729275659,2.620313711249997,3.940263212462629,4.812758475403644,5.268682380763737,5.481018374558081,5.560530378773804,2.137486291165981,0.3884085186174332,0.0201247610337825,7.10240450031494,1.6542130151498815,4.855166508111337,0.2537206643713564,3.855614888303228,8.327359410201142,0.676002450359316,8.110155441571465,0.2727382537250849,28.67835860963645,3.855614888303228,8.327359410201142,0.676002450359316,8.110155441571465,0.2715183028846558,28.67835860963645,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.3293821101903323,3.928200640018259,4.554611416544443,5.193366505057844,5.831785849968223,6.460125309381519,7.071450963527777,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_6,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398750429977831,0.5802346178875719,1.793907920354069,3.802123287307,5.683346984886066,6.878733156937385,7.491098563619706,7.773731589507053,7.879170048243723,3.087054415364933,0.4393924606848796,0.0185899300201593,16.30389836362483,4.5494786667407725,9.542685430947772,0.3277747066357452,1.5225777394356896,3.300391187359539,0.2559027290869839,3.5697995721315614,0.197729477010787,10.300302338910424,1.5225777394356896,3.300391187359539,0.2559027290869839,3.5697995721315614,0.197729477010787,10.300302338910424,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.869615393676403,3.3249763652722164,3.820500481187202,4.347110315358785,4.894723109774655,5.453744289289897,6.015899591281263,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_7,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398700376545717,0.5827617311198203,1.8073764318414784,3.822857461945508,5.702892468730282,6.895345014263448,7.505790619055827,7.787463970317119,7.892533904664445,3.106531602772259,0.4406935077391845,0.018580535378094,16.341607163117537,4.6065700848308895,9.549662255433333,0.3432324192584407,1.636620152915426,3.547726501419288,0.2751991730947395,3.8382135376733424,0.2122975184947281,11.080841352054632,1.636620152915426,3.547726501419288,0.2751991730947395,3.8382135376733424,0.2122975184947281,11.080841352054632,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.856141837015092,3.31187361213449,3.807674777346951,4.334517444076707,4.882352944774748,5.441607331568739,6.0040168465730925,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_8,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416276399747993,0.5112370728890958,1.4512892590286246,3.0808149698012453,4.702823068203803,5.771326012428671,6.328247080310774,6.587282543852005,6.684226921649814,2.4872453087451283,0.399152743326451,0.0202479238534001,8.645147334948469,2.5780324515345687,5.604839382787813,0.4711833274394008,3.5392758221092824,7.613234433883019,0.6019328145752881,7.03223405030342,0.2451358601308328,25.16520657616627,3.5392758221092824,7.613234433883019,0.6019328145752881,7.03223405030342,0.2434258539823155,25.16520657616627,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.261281663237383,3.863077140557505,4.49373795517431,5.137553239066034,5.781419406026602,6.415256376558035,7.031890812629312,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_9,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409676217989751,0.4751124482939565,1.1732458784521045,2.260986132708544,3.320546773614116,4.021983428553687,4.389638869260406,4.561166803412642,4.625448464885425,1.871052325405228,0.3802557598039902,0.0202294223016026,6.275262307530838,1.137215075379674,4.394354447490507,0.072501196889343,3.5380732792321523,7.5030341496038195,0.5517861201677869,5.830771689078394,0.2023781368463658,22.12805670080086,3.5380732792321523,7.5030341496038195,0.5517861201677869,5.830771689078394,0.2023781368463658,22.12805670080086,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.693885982412685,4.388081350846249,5.098153066431924,5.80608502086901,6.498539056882584,7.166471808260027,7.804405920692254,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_10,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418206417366468,0.5021580801609585,1.406632489853336,2.7823611036059583,3.965698427246564,4.681360870905056,5.039698020903522,5.203459207704458,5.26430629963865,2.308333820642722,0.3930265022945786,0.0204354281936533,8.736620420408551,2.1208452744782624,5.813332713971283,0.2422773634970893,0.7250118010735718,1.5954261688760512,0.1450023602147143,1.8850306827912868,0.0507508260751499,6.525106209662147,0.7250118010735718,1.5954261688760512,0.1450023602147143,1.8850306827912868,0.0507508260751499,6.525106209662147,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.78304096097647,4.478956761662721,5.185804638457672,5.887176491760121,6.571142318464215,7.2297352289667955,7.858226230432404,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_11,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409475949210747,0.4901872687509744,1.290948233741999,2.627845636017995,3.953202979990244,4.8283181869265634,5.285308241513521,5.4980733400714366,5.57773533462682,2.142721840260568,0.3882650382326512,0.0201130064959218,7.123447620095801,1.6647564098576666,4.866923259707511,0.2569571823685636,3.898982023817751,8.416782426652125,0.6818379729458193,8.148366199441401,0.2727202110847986,28.8993431562205,3.898982023817751,8.416782426652125,0.6818379729458193,8.148366199441401,0.2715170816853468,28.8993431562205,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.3324768253636456,3.931406365985187,4.557862502648943,5.196602774755344,5.8349589836877325,6.46319988280257,7.074403096212509,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_12,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398029677887461,0.5793814721360387,1.7891033278476791,3.79194690414692,5.668964795287643,6.861868033770821,7.472996888963608,7.755065637033505,7.860294532613779,3.078640369608629,0.4389116679639355,0.0185736221390097,16.250003560285496,4.5257941180728345,9.515935865954502,0.324096761403351,1.504446249051698,3.260992825405888,0.2527622899968317,3.526544569026352,0.195549287083946,10.171129054519731,1.504446249051698,3.260992825405888,0.2527622899968317,3.526544569026352,0.195549287083946,10.171129054519731,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.877689946770379,3.3327565260193777,3.828097692563046,4.35458519636858,4.902100381309053,5.461025786134576,6.023074217961829,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_13,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398586814821994,0.5818091073553289,1.8017372125190263,3.811229151256154,5.686844448920983,6.8767712589258245,7.485976807715886,7.767087673410615,7.871949215039298,3.09682159409724,0.4401980208362101,0.0185816508089656,16.285428478166008,4.579069098808422,9.522433716455405,0.3384303594825499,1.6164695372149165,3.503955831019171,0.2717236588147569,3.7902588077329713,0.2098470837829686,10.938308430958395,1.6164695372149165,3.503955831019171,0.2717236588147569,3.7902588077329713,0.2098470837829686,10.938308430958395,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.8657954156285457,3.321213408785902,3.8168309369573854,4.343559166341903,4.891306050835675,5.450470058384525,6.012772064116989,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_14,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416497771710094,0.5113360559177018,1.4514067981429508,3.0804876607383864,4.702072157954918,5.770331234840304,6.327130836537526,6.5861103859416525,6.683033880844172,2.487090625920066,0.3992209727511761,0.0202540399399371,8.64368478610371,2.5788520885497705,5.602034956384604,0.4697265099899335,3.5157125416774275,7.562798698762196,0.5982655679274296,6.995496184631367,0.2438573672411595,25.018269733979395,3.5157125416774275,7.562798698762196,0.5982655679274296,6.995496184631367,0.2422488674236667,25.018269733979395,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.2551314535228406,3.856644558817736,4.487159337872928,5.130943984821512,5.774871006733758,6.408837712609231,7.025651289820331,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_15,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409621292008426,0.4751179425824395,1.1731363003384938,2.260690394407324,3.3203269981086265,4.02192918058828,4.38969925926276,4.561286252740328,4.625590893245441,1.870794151366232,0.3802585780202072,0.020227662199873,6.277180515458092,1.1372126874707351,4.395361503556917,0.0721622045819891,3.50721282220386,7.4384604383461586,0.5474022088673405,5.790793975731528,0.2009933807037584,21.96088605073825,3.50721282220386,7.4384604383461586,0.5474022088673405,5.790793975731528,0.2009933807037584,21.96088605073825,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.697134469478873,4.391740392018074,5.102078952215599,5.8101604793622,6.5026725317832526,7.170594243216213,7.808466800218435,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_16,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418700047683853,0.5021077083825213,1.4061651084688036,2.781550992306284,3.9646810284166736,4.680211490520471,5.038476211058727,5.202202560794329,5.263036412829367,2.307618797389383,0.3930291253006844,0.0204501958707418,8.732947609314374,2.119203311483733,5.811197278830347,0.241854574676612,0.7335037441207563,1.6141131311324184,0.1467007488241512,1.9071097347139665,0.0513452620884528,6.601533697086807,0.7335037441207563,1.6141131311324184,0.1467007488241512,1.9071097347139665,0.0513452620884528,6.601533697086807,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.7800803928905657,4.475924792579217,5.182757288809549,5.884156036559158,6.568179666782381,7.226852179075901,7.855437454487661,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_17,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409529673405831,0.4903633588753943,1.2920215791724234,2.6293502677216685,3.954086206445541,4.828416801389583,5.284906724763886,5.497420530251595,5.576985604938406,2.144222749830102,0.3883514624257945,0.0201142834481143,7.120933837790384,1.6661303533151397,4.86601796114429,0.2596033205862198,3.9216684383176887,8.463349349913432,0.6847712676254771,8.168130815826435,0.2730359384506072,29.00641077654045,3.9216684383176887,8.463349349913432,0.6847712676254771,8.168130815826435,0.2718644206618655,29.00641077654045,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.333226637468923,3.9323586245102864,4.558999653526397,5.197898291578708,5.836382653552743,6.464721382398594,7.075994165257292,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_18,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398561982982279,0.5796519426935944,1.790251511700996,3.7940918959068815,5.671724274692474,6.86493589680582,7.476207710599994,7.758339877466407,7.863592073122993,3.080484992680872,0.4390885406982713,0.0185869432892635,16.25713543572503,4.531373689846831,9.518881359228295,0.3253132455067566,1.5079354293878846,3.26846215297071,0.2532576108582668,3.53399631625402,0.1961732457183583,10.188355613139258,1.5079354293878846,3.26846215297071,0.2532576108582668,3.53399631625402,0.1961732457183583,10.188355613139258,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.8771719037023566,3.3318131011410825,3.826807914954448,4.353021753526323,4.900328224112329,5.459101397358112,6.0210455537486105,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_19,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398526091358605,0.5814875996307479,1.800006621691564,3.80797870396361,5.682582836693802,6.871966007879943,7.480914486051292,7.761911027592434,7.866730586848529,3.094035254782449,0.440030763078386,0.0185803304477113,16.27766217917381,4.5715520741236055,9.51956072098193,0.3365010057663656,1.613399334382456,3.497522310572597,0.2714225352294798,3.784779616218296,0.2090454502449183,10.932580794151306,1.613399334382456,3.497522310572597,0.2714225352294798,3.784779616218296,0.2090454502449183,10.932580794151306,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.870303753935976,3.325500015686577,3.820995810107618,4.347659651154627,4.895368930529583,5.454501883501458,6.016767121610058,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_20,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416697537005444,0.5112310871338527,1.450915311940515,3.0811330607868723,4.7058899009213055,5.7770024145037295,6.335466381038315,6.595254811500109,6.692486255114206,2.4870436490575774,0.3991758298373982,0.0202603630791548,8.646587961953058,2.580720541510243,5.600006553665455,0.4659353027527979,3.493547767139682,7.518722336263666,0.5970530727858039,7.011848011899223,0.2433431067004073,25.01956442128232,3.493547767139682,7.518722336263666,0.5970530727858039,7.011848011899223,0.2419740554696574,25.01956442128232,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.250589932881734,3.8521765695058257,4.482800401215358,5.126725531063497,5.770816966509081,6.404964012856791,7.021966728528708,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_21,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409915553272688,0.4750889179316565,1.172731092428687,2.2608312026373585,3.322506445022526,4.026037181420944,4.394957082948142,4.567108604845861,4.63162909974979,1.870534550383779,0.3802653189163094,0.0202363102323316,6.277930858941703,1.136227597937134,4.396698238773054,0.0718322721167593,3.510580200239206,7.447281119634407,0.5486041211863619,5.818830038540373,0.2026327075771517,22.01971549314353,3.510580200239206,7.447281119634407,0.5486041211863619,5.818830038540373,0.2026327075771517,22.01971549314353,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.705056055313752,4.399649248049781,5.109800799292048,5.817577687304451,6.509713166246785,7.1772208003591365,7.81466630133691,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_22,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141872481217148,0.5028169622182155,1.4095861791711126,2.7873537721177595,3.972088087507399,4.6887260224322365,5.047619713816259,5.211652788994733,5.272603848511381,2.312738363319747,0.3934063940028173,0.0204480803529729,8.758253443182422,2.130626106523157,5.825792317627754,0.2445985082504301,0.7245672346370208,1.5944478773149655,0.1449134469274041,1.8838748100562543,0.0507197064245914,6.521105111733188,0.7245672346370208,1.5944478773149655,0.1449134469274041,1.8838748100562543,0.0507197064245914,6.521105111733188,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.779618334599909,4.4751552605935325,5.181662921901996,5.882752916104754,6.566502829094508,7.224945388946628,7.853346484502606,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_23,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409500907791246,0.4904793604985485,1.290895863645002,2.6230149967352308,3.943043251887395,4.815074517237727,5.270624087356715,5.482758314212095,5.562190521357519,2.1398687984521225,0.3884315421167712,0.0201123110405222,7.103382506261961,1.6575204663948004,4.856046265049828,0.2568008484029223,3.881882550284829,8.380907108049623,0.6792382608166572,8.128974798732534,0.2729419296099206,28.792734071066484,3.881882550284829,8.380907108049623,0.6792382608166572,8.128974798732534,0.2717662546246241,28.792734071066484,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.3312691129951824,3.9302608112172734,4.556813542812335,5.195675948868191,5.834168855803599,6.462551199054984,7.073893094043153,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_24,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398583924478939,0.5803984055781376,1.7949241667015712,3.804060722943122,5.685804609798705,6.881440463337524,7.493920791185587,7.776604894989956,7.882062154853685,3.0887234687769536,0.4394677728917632,0.0185841350119178,16.309656457334235,4.554795546943784,9.544958586315415,0.3290328543384785,1.5270047978784682,3.3098919086609326,0.2565541459462179,3.579437965448211,0.1984781114067597,10.32376622684291,1.5270047978784682,3.3098919086609326,0.2565541459462179,3.579437965448211,0.1984781114067597,10.32376622684291,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.866868592160018,3.3222281499938595,3.817722553107245,4.344294451214696,4.891874605173099,5.450876306257046,6.013028944788167,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_25,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399373984256067,0.5824920476695908,1.805324752062416,3.818751766647108,5.697444194648419,6.889200889890958,7.499324188870075,7.780855532505849,7.88587351676786,3.1030558319803525,0.4406037306506195,0.0185994400621106,16.32971507310757,4.596957986737305,9.54486129701126,0.3409206166582982,1.6312060496552132,3.5361181202197995,0.2744127943375185,3.826508404355362,0.2113627027137226,11.05286535535023,1.6312060496552132,3.5361181202197995,0.2744127943375185,3.826508404355362,0.2113627027137226,11.05286535535023,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.860391876130134,3.3161349769500457,3.8120034364140505,4.338933026164433,4.88685016326165,5.446165800512675,6.008608542578462,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_26,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416150371273218,0.5110174169322508,1.4501911414499358,3.0804264951285427,4.705798333326944,5.777495987113691,6.336305884450764,6.59626340407114,6.69355937864792,2.486234524608907,0.3990312680344764,0.0202450546113764,8.646165383944775,2.577752079166872,5.601998909652573,0.4660178601413288,3.500951312208105,7.534421161472608,0.5981969748746121,7.021228841837634,0.2433925319360622,25.066358206252456,3.500951312208105,7.534421161472608,0.5981969748746121,7.021228841837634,0.2419946597613385,25.066358206252456,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.256829876305161,3.8587638794268098,4.48959069255113,5.133597918347498,5.777674843426571,6.41173307891755,7.028591835729724,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_27,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409317179472522,0.474983487177149,1.172753361446076,2.26129284425863,3.323291453912402,4.026952441128012,4.395916687973156,4.568083767614309,4.632609290722482,1.870841282002122,0.3801680762677101,0.0202194458468787,6.276430353578805,1.1364594498243856,4.395883118914328,0.0722179360901843,3.542151308766166,7.513451881588339,0.5531424232487465,5.861111438401145,0.2041011508455778,22.19393891528111,3.542151308766166,7.513451881588339,0.5531424232487465,5.861111438401145,0.2041011508455778,22.19393891528111,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.70177381450354,4.396185721218796,5.10622173802684,5.813943981170344,6.506077080164025,7.173624761985425,7.811143214215012,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_28,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418440974808726,0.5029900536780277,1.4105493750475822,2.788994413810048,3.974157500875066,4.6910736070433785,5.050120729051138,5.214227725289078,5.275206896259215,2.3141874492707704,0.3934811902207217,0.0204390581679665,8.765445165317589,2.133946143276295,5.829852696003455,0.2454035377608494,0.7144959136198775,1.5722854117080491,0.1428991827239755,1.8576893754116817,0.0500147139533913,6.430463222578897,0.7144959136198775,1.5722854117080491,0.1428991827239755,1.8576893754116817,0.0500147139533913,6.430463222578897,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.781882881096021,4.477595719436075,5.184195902859254,5.885314955420508,6.5690473940472325,7.227439547096501,7.855767837708906,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_29,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409260703942315,0.4902344976276416,1.2893823434597562,2.620482062312963,3.940766737837975,4.813440294089627,5.2694407325951245,5.481808472468158,5.561331735022832,2.137527320684533,0.3883016703667753,0.0201056931148371,7.103380992589942,1.6544579481599413,4.855711898951492,0.253680943593528,3.856016031504976,8.328101181429492,0.6760253086189172,8.109265090515349,0.2726328457603147,28.67877651578421,3.856016031504976,8.328101181429492,0.6760253086189172,8.109265090515349,0.2714123336161679,28.67877651578421,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.3297193031391905,3.928566767856225,4.5549984521802624,5.193767138249556,5.832193774456338,6.460535292871687,7.071858800062466,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_30,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398682011952729,0.5802216769204215,1.7939848977227486,3.8026346610901016,5.684339416815069,6.880043213896743,7.492574197601668,7.775284306043101,7.880751630008143,3.087394417656706,0.4393835895709154,0.0185874581812858,16.31264502915068,4.55066620004388,9.548201245739982,0.3276407716665746,1.5258809927888748,3.307639488054827,0.2565433216810063,3.5782275662369254,0.1979983136391624,10.328627553726069,1.5258809927888748,3.307639488054827,0.2565433216810063,3.5782275662369254,0.1979983136391624,10.328627553726069,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.870075957107036,3.3254520459606702,3.8209919611609537,4.347616145143917,4.895240398390952,5.454269463798928,6.016428995149703,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_31,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399037671067212,0.5829397192965377,1.808006505311457,3.823548737838449,5.70316382750607,6.895238426929182,7.505474237915606,7.787048628575722,7.892081400207871,3.107283016522609,0.4408120091941669,0.018588717487628,16.34719436977268,4.609244267226448,9.55225309530749,0.3435937927578999,1.6408210005430452,3.556979871708596,0.2760482529515464,3.849207024155417,0.2125748709575053,11.119272703893031,1.6408210005430452,3.556979871708596,0.2760482529515464,3.849207024155417,0.2125748709575053,11.119272703893031,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.856449635582685,3.312104252762808,3.807843865211989,4.33463893163133,4.882438699954856,5.441667202518938,6.004058921864495,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_32,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416115306375425,0.5110839646339013,1.4507998671508546,3.08019975320866,4.702245892506341,5.7707942715345055,6.3277404068140894,6.586787543288033,6.683736275938115,2.4866424008018804,0.3990552243050744,0.0202441961452451,8.643391608543935,2.5766582095773023,5.6031828561360175,0.4702637148332493,3.538413853402947,7.6112393694562686,0.6017285183839205,7.029411465107452,0.2450676948353608,25.1554818911786,3.538413853402947,7.6112393694562686,0.6017285183839205,7.029411465107452,0.2433657137769376,25.1554818911786,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.26097786642168,3.862766223945807,4.493425618653946,5.137244663743646,5.781118728389647,6.414966594549273,7.031613899042033,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_33,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409292732178668,0.4750467163890053,1.173183186319232,2.2610970462718853,3.320890481933682,4.022479432482525,4.390211215763394,4.561773793405729,4.626068271795113,1.8710864190704344,0.3801961992998448,0.0202185354524915,6.27588956886984,1.1375598773826536,4.39455241959731,0.0725120244839338,3.530761783190958,7.487640145168462,0.5507234906960965,5.819884281850559,0.2019003539970555,22.087459735408363,3.530761783190958,7.487640145168462,0.5507234906960965,5.819884281850559,0.2019003539970555,22.087459735408363,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.694085705222076,4.388300307827281,5.098381033938481,5.806314514218259,6.498764863672022,7.166690486222191,7.804615345984571,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_34,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141848860437559,0.502228700169444,1.4068287671185633,2.7826623751074258,3.966016387370329,4.681661259535673,5.039982811961304,5.203735488166554,5.264579206552889,2.308610230175459,0.3930818593403837,0.0204433791920201,8.737610974596292,2.121367103216805,5.8139334746144335,0.2424421784508154,0.7267061647399297,1.599154704230782,0.1453412329479859,1.8894360283238167,0.050869431531795,6.540355482659368,0.7267061647399297,1.599154704230782,0.1453412329479859,1.8894360283238167,0.050869431531795,6.540355482659368,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.783393042771564,4.479280845448609,5.186101840996725,5.887448685479504,6.571391639258106,7.229963828280198,7.858436153883324,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_35,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409674535772838,0.4902756120441279,1.291368022400857,2.6287021562147417,3.95440702408054,4.82974234965481,5.286847780588554,5.499666914903501,5.579349204561191,2.1434366136402025,0.3883225193112767,0.0201184302595406,7.126266246155336,1.666080641386696,4.868688316062147,0.25763380898647,3.903611579282278,8.42649776361873,0.6825181824227082,8.15463490719681,0.2729018271420291,28.92594947723632,3.903611579282278,8.42649776361873,0.6825181824227082,8.15463490719681,0.2716987477688911,28.92594947723632,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.332718216578504,3.931698953667537,4.558189542938427,5.196952348043266,5.835322334714679,6.46357042597035,7.07477580808739,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_36,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398260489705485,0.5793940686953366,1.7889716859586873,3.791891402623674,5.669153921319505,6.862253981010596,7.473492137922207,7.755612980707085,7.860861560199781,3.078525967573345,0.4389402812129805,0.0185788542250525,16.253885195826243,4.525449368563833,9.519011215396532,0.3238980665456474,1.5053576043163694,3.262976739918627,0.2529236396836852,3.5287467217858506,0.1956523095138745,10.177866756276115,1.5053576043163694,3.262976739918627,0.2529236396836852,3.5287467217858506,0.1956523095138745,10.177866756276115,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.8780885058708896,3.333328433642016,3.828816607876679,4.355424962676298,4.903036079568223,5.462034718980238,6.024136538804678,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_37,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398922947967639,0.5818315420471748,1.8014790098088296,3.810211407466346,5.684844007885801,6.874083981321459,7.482931330663264,7.763876611185903,7.868676415006082,3.096118074183588,0.4402391249883258,0.0185896991235595,16.283904409991653,4.5775246463378725,9.521536597445357,0.3378378318657548,1.617498509920825,3.506406978643868,0.2721106734011022,3.7943838971296433,0.2095793242877003,10.960254588473031,1.617498509920825,3.506406978643868,0.2721106734011022,3.7943838971296433,0.2095793242877003,10.960254588473031,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.8666848191474226,3.3222727519575006,3.818028428932603,4.344864904433772,4.892692739736086,5.451913663204819,6.014252158892164,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_38,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415969609948059,0.5111122734013649,1.4515009291207988,3.082164978248841,4.704714078144392,5.773220659749,6.330047655533586,6.589019025306756,6.685936247169508,2.4882266801623945,0.399056860066023,0.0202398272464296,8.651067965672794,2.579602204582521,5.608960668775159,0.4724223490347211,3.5704518509509247,7.679274958253663,0.6067607151103477,7.079529286433462,0.2464487139984124,25.35961698356496,3.5704518509509247,7.679274958253663,0.6067607151103477,7.079529286433462,0.244707556600725,25.35961698356496,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.2590588195143018,3.860891502726552,4.491601733663684,5.135480130958093,5.779421112415032,6.413341439917668,7.030064584055587,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_39,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409799971872844,0.4751583812853964,1.1735319374039148,2.261641825268098,3.321232356975439,4.022504317987345,4.390021489896023,4.561473658155911,4.625725153356027,1.871608090546283,0.380286898216078,0.0202328110163937,6.276873023370098,1.1382597066723328,4.3949859603928525,0.0727796466658634,3.573753024781578,7.577321324498859,0.5567267416645729,5.871818015611167,0.2035586392423904,22.31471557276115,3.573753024781578,7.577321324498859,0.5567267416645729,5.871818015611167,0.2035586392423904,22.31471557276115,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.693452428575512,4.388081084602272,5.098542554295896,5.806812199747708,6.4995492583091545,7.167711940765448,7.805827063718641,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_40,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418633311399575,0.5022493392366736,1.4067723546250477,2.782511574438108,3.965858452305522,4.68153311515448,5.0398786522304775,5.203644204766184,5.264493005510133,2.308482325732671,0.3931045529825331,0.0204474323061066,8.737242997555777,2.121157410785281,5.813845721899588,0.242430934783118,0.7169863861443705,1.577765826002767,0.1433972772288741,1.864164603975364,0.0501890470301058,6.452877475299335,0.7169863861443705,1.577765826002767,0.1433972772288741,1.864164603975364,0.0501890470301058,6.452877475299335,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.779480204292472,4.475283029617635,5.182079345648101,5.8834503014791295,6.567455416429733,7.226118316472918,7.854701854792758,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_41,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409547249210475,0.4900195301829201,1.2895882276767017,2.6250452373028925,3.949979277514577,4.8252429892768784,5.282419680703312,5.495294293572414,5.575000784827557,2.1403160881451315,0.3881931131845681,0.0201152857709536,7.121680797504461,1.661127063223672,4.866022319474759,0.2543274501762351,3.877780919998149,8.37329690261219,0.679163212187429,8.130913390373491,0.2723446734047152,28.803778798571365,3.877780919998149,8.37329690261219,0.679163212187429,8.130913390373491,0.271122931481664,28.803778798571365,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.334652831022333,3.933991085784357,4.5607898439786645,5.199799554272862,5.838353588854943,6.466727200969309,7.078006801004434,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_42,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398309379703494,0.5792897444445694,1.7883134913016652,3.790784191084348,5.668138406385579,6.861442118818212,7.472810107873627,7.75499494880398,7.860267947943015,3.0774987496789987,0.4388876822387297,0.0185810728749425,16.252184473891898,4.522850627401719,9.518601646292122,0.3231726809931124,1.495946155103304,3.2425939171870675,0.2513590583571379,3.5068186219604067,0.1943978046013366,10.115403309483131,1.495946155103304,3.2425939171870675,0.2513590583571379,3.5068186219604067,0.1943978046013366,10.115403309483131,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.878755073965981,3.333637099262752,3.8288503508974734,4.355249287095234,4.902702464882792,5.461583195558743,6.023597777173853,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_43,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398814775739994,0.5820745934742807,1.80295763035986,3.813270325898019,5.689100172614371,6.879021278431221,7.488199286835482,7.769293471298447,7.874148254185767,3.0986638369715207,0.4403555611247448,0.0185863947809245,16.291849939899965,4.58432784428105,9.52571458603844,0.3398082427955151,1.6233579129724396,3.5188896229880813,0.2728836473472573,3.8064270917504985,0.210737432496628,10.985065749445814,1.6233579129724396,3.5188896229880813,0.2728836473472573,3.8064270917504985,0.210737432496628,10.985065749445814,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.8679893582338223,3.322877663995796,3.818138363820331,4.344631688008526,4.892226660311517,5.4512930581576855,6.013531267848491,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_44,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416551929362594,0.5112187891050703,1.4517289786639307,3.084023223171479,4.710148707619187,5.781790123370581,6.340436533971364,6.600290994232375,6.697544282672549,2.489236978016897,0.3991526473611493,0.0202562439447289,8.658852647894111,2.584350663831227,5.6099640198852505,0.469665662957378,3.526763701447317,7.588758944114928,0.6017493064749374,7.049482458332762,0.2443545735239078,25.19934902818685,3.526763701447317,7.588758944114928,0.6017493064749374,7.049482458332762,0.2428380348752018,25.19934902818685,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.255570259055072,3.857361970263001,4.488097282595493,5.132051157076467,5.776103026595714,6.4101568782955,7.027026048087433,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_45,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409616334506564,0.4750786078157136,1.1731722947612433,2.2620381881011653,3.323916645385732,4.02729940713174,4.396066263794578,4.568130456022635,4.632615745625158,1.871522452032908,0.3802363367379261,0.0202277207451219,6.277921768416419,1.1374630463618582,4.3965609049264165,0.0725575714057537,3.5792002323009378,7.590614124871064,0.5582752753113672,5.904130333561352,0.2053818685631236,22.387733667233185,3.5792002323009378,7.590614124871064,0.5582752753113672,5.904130333561352,0.2053818685631236,22.387733667233185,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.7002680036376576,4.394693203794162,5.104836821322917,5.812720153970932,6.505038458240839,7.1727760038691,7.810477131684029,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_46,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419308475091885,0.5029616875069083,1.4098524209050152,2.787704504616687,3.972546162585886,4.689279830528542,5.048230745974253,5.212292006771746,5.273253859266016,2.3130595362338666,0.3935248238181718,0.0204643347432998,8.760444991381899,2.131289841254838,5.827321927059527,0.2447889472096091,0.7072363947005188,1.556310462831016,0.1414472789401037,1.8388146262213487,0.0495065476290362,6.365127552304669,0.7072363947005188,1.556310462831016,0.1414472789401037,1.8388146262213487,0.0495065476290362,6.365127552304669,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,3.778985777632677,4.474602131583003,5.181174366039808,5.882318142222012,6.566113733013808,7.224595641376019,7.853030960306256,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_47,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409629741779962,0.4901238099705193,1.2882755782833863,2.618263014910317,3.938176890596915,4.810890292634004,5.26698225981405,5.479407164899494,5.558954071978489,2.1356114393552907,0.3882766677428551,0.0201164326695378,7.102114261550267,1.6516929151181472,4.854706151879737,0.2512516234895879,3.8383766297008086,8.291673803346791,0.6737071397722563,8.092304028796216,0.2722000411986827,28.5938241501524,3.8383766297008086,8.291673803346791,0.6737071397722563,8.092304028796216,0.2709732956556979,28.5938241501524,25.0,54.83706,3.0,15.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM1511,3.332058738687906,3.931243361552692,4.55794625559429,5.196917420353833,5.835482506041246,6.46390657703142,7.075265920453371,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_48,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398706701028647,0.5801342532817063,1.7933865837583007,3.8014455908867166,5.68298831010252,6.878716589987421,7.491285302407041,7.774017244596072,7.879493339555154,3.0863587665449947,0.439339044919364,0.018588638256103,16.307245143290128,4.548158581637468,9.545535573283148,0.3271565252354496,1.5148306001361538,3.283614245892804,0.2546161904455488,3.5517601237005447,0.1966942599751842,10.248980330507653,1.5148306001361538,3.283614245892804,0.2546161904455488,3.5517601237005447,0.1966942599751842,10.248980330507653,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.86846156824497,3.324043652906891,3.819722458705721,4.34643910238936,4.8941255471491285,5.453198164372358,6.0153904747354,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_49,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399193333087233,0.5829810280079986,1.8081774372960773,3.8243000381892616,5.704741825194397,6.897399809439031,7.507940350446209,7.789655707035528,7.894741054891706,3.107778640665286,0.4408435595539324,0.0185930552730031,16.347160497252627,4.61030189847998,9.553018823675572,0.3443099799045624,1.6430287215401729,3.561551132013608,0.276211483118461,3.8527205864878615,0.2132512502382624,11.119660210591409,1.6430287215401729,3.561551132013608,0.276211483118461,3.8527205864878615,0.2132512502382624,11.119660210591409,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1511,2.857575013300796,3.313044118387165,3.808688299690295,4.33544535309806,4.883240224473735,5.442479714082582,6.004886671400237,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_50,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290152363932197,0.9425172620159318,2.1634839464082907,3.811204708042546,5.343224941912076,6.331258725202826,6.841831147286928,7.078429968425684,7.16684252991624,3.2327404990216326,0.7435768896840872,0.0243624839975754,9.95520224059462,5.11883729942735,5.927648308847066,1.7052356390970942,1.935998411925892,4.179886670710944,0.3225876548487281,4.270340572392986,0.228554231226735,15.500450018402026,-1.1359037126096838,-2.5799936932400644,-0.2917927700583869,-3.716604951399508,0.013521082509245,-14.607398359482133,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.428645530009106,10.148169965432388,10.856804126091092,11.548867509702715,12.21954853867635,12.865060267629843,13.48266254581031,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_51,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2199293010574302,0.9255999596422722,2.145350404761541,3.612931945765256,4.859221389116471,5.640150492215556,6.0409477778774425,6.226380296899833,6.295645043541529,3.1193392678717884,0.7254874019888584,0.0235291255645135,8.983801848837574,4.802735120455102,5.501132923597054,1.7054288872957963,2.359921777770773,5.088402150831682,0.4182524248590383,4.848219061571478,0.1295104705687207,17.966744466163654,-1.2865261488998592,-2.9357961270992328,-0.3110371604750881,-4.632545547772165,-0.1257408842982232,-14.857501799029103,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.897258684385545,10.616051930351851,11.315464045398128,11.992106206784571,12.643165801888774,13.26650057527396,13.860655060233574,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_52,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1219587875605706,0.7795910635926919,2.240848332528807,4.190571254453409,5.82761059985812,6.816149240761892,7.311226858425075,7.537500507286483,7.621576657407357,3.529809429606243,0.5724227224238068,0.0051722201290048,13.16797642648321,5.744787123668488,8.253018569125395,1.8028950046362089,1.249974310202686,2.632379029257536,0.1441785445196962,2.244191051960182,0.2605791996502531,8.725462679507167,-0.0923038759942309,-0.3213739179344624,-0.1242770927196871,-1.2457322321518012,0.166619726616469,-8.148320577306903,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,7.731939977459531,8.48935401832517,9.235631398541472,9.96871362718385,10.685767915947077,11.383586163655876,12.059034606483213,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_53,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2188698329286011,0.9216517253020776,2.226655665053379,3.9035682519010058,5.267252561873029,6.070717808945805,6.46800894773286,6.648544812873704,6.715466093513832,3.3411071111476893,0.7209477060117423,0.0236056157145588,10.754719975398432,5.402060001138414,6.392089408529832,1.794827830895188,1.90502795350462,4.182373259115218,0.3715049091795917,4.877067226941354,0.152678924507686,16.95523795111493,-1.8100211382912967,-3.992785449934471,-0.3715049091795917,-4.782060411728031,-0.1073745119180278,-16.95523795111493,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,10.027787141953349,10.748654504536372,11.45166082331706,12.132552024916084,12.787825478514614,13.414862687355113,14.011925080449194,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_54,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2281334812022442,0.939417655867102,2.123220577705015,3.632704773878322,5.019140860503311,5.924198565135805,6.396829196671934,6.617075083008624,6.699580600443412,3.1089961218806885,0.7414138205176761,0.0242163705477433,9.180120577052197,4.7501827091879845,5.612184766883108,1.650626099893012,1.7209778147679036,3.726614327449991,0.2909774901916968,3.944409330636982,0.2141541571030435,14.156943588158182,-1.1235543336087552,-2.5329265807245616,-0.2779289394836349,-3.451374255142329,0.0150369067166776,-13.778535617624383,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.483010181644966,10.194122423347794,10.897410858551298,11.586210028805445,12.254989131355847,12.899450484241695,13.516500874302672,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_55,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3196903768906882,1.2179912086155786,2.8813262145082934,5.2566657063141085,7.343807903049434,8.620806641166665,9.262586999940575,9.556218790086325,9.665361278675691,4.432711325915723,0.9690295119636408,0.0385954968904758,19.979410449532608,10.726598809492293,10.107462284615762,2.441033061697273,3.055603942976548,6.628525638523473,0.518503132703072,7.203629004601124,0.3875503808063034,25.648082368944177,-2.129427384054173,-4.781405418236635,-0.518503132703072,-6.27745244567875,0.0245981879141533,-25.648082368944177,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.235808723331967,10.09710009296506,10.931583515965198,11.732136303104122,12.493278762874008,13.211515054942184,13.885199323141666,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_56,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290495392404495,0.9426157613762892,2.163211606334623,3.809207358812778,5.338712441984465,6.32489122931585,6.834468089635721,7.070600210332213,7.15883770770488,3.2314984070019013,0.7436738646494634,0.0243609686412496,9.946780791690149,5.112702572832354,5.926974439402699,1.704833004963464,1.923460931412184,4.152836628975189,0.3202077031682661,4.245809791690877,0.2286286572863115,15.408219759940938,-1.1290456221033291,-2.564362772376481,-0.2902936075348366,-3.690707247449458,0.0149531985402257,-14.54071098657148,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.434358658592762,10.151624160869067,10.858532796809415,11.549269794024983,12.218929254359114,12.863655958318828,13.480658944956945,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_57,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2199689804800975,0.925734436534011,2.145661725090737,3.613031162723172,4.85869214048071,5.639034470218849,6.039479181930158,6.224737641131094,6.293935662058474,3.119573788707056,0.725587346333696,0.0235390649568105,8.9822299620982,4.8033001846550585,5.499626330416559,1.705941855454799,2.354464172816824,5.076474870663287,0.4172065121314686,4.835010375055682,0.1291409402633073,17.920117251255455,-1.2819097642398056,-2.925555069274553,-0.3100682752798572,-4.6195618612915545,-0.1254052353306564,-14.813108382558726,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.905245163506985,10.622490427752464,11.320661290316869,11.996296912964915,12.646534227949338,13.269194017579316,13.862792768371897,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_58,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1220142434131928,0.779609731019628,2.240316215861951,4.190123559039564,5.827891599303413,6.81699760362682,7.312370923687929,7.5387800252715005,7.622906408222781,3.529209953833856,0.5724913738952312,0.0051777043487117,13.164755885030248,5.743040647162226,8.253126194991403,1.8022812384926137,1.2307045366243652,2.592593794108409,0.1414657912276976,2.228297241780929,0.2610795305726303,8.639121094471673,-0.1001198602369755,-0.3359544940536082,-0.1246990881445705,-1.2318461900585562,0.1679218227923365,-8.152886705060988,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,7.735337642125247,8.490258926282415,9.234662653664111,9.966344366254516,10.682365110126977,11.37943585862996,12.054359661895871,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_59,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2188534280434352,0.9215200909665484,2.2251402490250656,3.900106120735556,5.262917756171462,6.066220205874415,6.463528203910551,6.6440929160085815,6.711028239314747,3.3382105806948985,0.7208918393251307,0.0235993071337199,10.73523641631947,5.3940771368469305,6.381476065434913,1.7923996670183338,1.902251757858414,4.176098836243091,0.3707893400874428,4.868566478557957,0.1527863496178184,16.927045591040926,-1.805641643016015,-3.9833134028379353,-0.3707893400874428,-4.771956363715558,-0.1067661884433913,-16.927045591040926,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,10.0330683957045,10.752488150417312,11.454534526707022,12.134794303482789,12.789656089314851,13.416427295079057,14.013319111906004,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_60,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2280723363438187,0.9392713706572312,2.123026474542462,3.633579971260761,5.021849731633867,5.928266524180325,6.401620847266966,6.6222041717713465,6.704835942604157,3.109348553748415,0.7412920936715274,0.0242028733779964,9.182881026275114,4.750558046475646,5.61368349712637,1.6501616868482565,1.7241307932475358,3.7312585513843737,0.2904805611704839,3.923926243463877,0.2133389203308602,14.112389526831814,-1.1031441689900967,-2.4903070213175726,-0.2749744312770426,-3.4269886583539675,0.0154296729742261,-13.662711759922017,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.479624316995258,10.190282426171835,10.893447054602069,11.582320810280851,12.251289111384056,12.89600073130687,13.513328358053627,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_61,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.319627408230543,1.2174638328928713,2.878065606973754,5.2500963007855725,7.335115009991915,8.610910441213992,9.252076120100364,9.545421075607894,9.654455835567148,4.427137268935228,0.9687333919651224,0.0385805032350799,19.94058963764209,10.705621605290384,10.09195952648203,2.4361880005041963,3.056523469242679,6.63058064061413,0.5187176261432895,7.206264478388996,0.3875573947943243,25.656969869079184,-2.130652792190216,-4.78407045583455,-0.5187176261432895,-6.280393801336533,0.0244550564940219,-25.656969869079184,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.244495340899745,10.104030250584886,10.937320303702208,11.737055155303253,12.497625821646093,13.215450100249434,13.888825615487765,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_62,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290360888803232,0.9425836934474472,2.1634491894280936,3.809831145231085,5.339446580517579,6.325582313242939,6.835106700139926,7.071208068019917,7.159433065682641,3.2320166064717464,0.7436342795101228,0.0243638368282089,9.94782931908348,5.114819374157914,5.926091326390603,1.7052602125481782,1.9242886573245963,4.154566969681263,0.3204469396921272,4.245682456693451,0.2280351587777218,15.409791427659613,-1.128817165741573,-2.563951155478642,-0.2901742249211068,-3.692392683278592,0.0143177511630902,-14.531882699300017,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.432714893153328,10.150904596410047,10.858486659685688,11.549711083658,12.21971929801991,12.864691050601284,13.481861436430638,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_63,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2199786688098463,0.9257655212541068,2.1457383773031204,3.613418643618288,4.859539765825778,5.640191683209317,6.040789766074745,6.226116856135882,6.295340070185315,3.119819425307732,0.7256153230034147,0.023538496750788,8.98446312773578,4.804187506090111,5.500554723764211,1.7060340541468768,2.3553425250045965,5.078499166151886,0.4174309894711004,4.838399433579305,0.1292246237869214,17.93083045851012,-1.2837229902100982,-2.9294537314848403,-0.3103821135718385,-4.623170905978902,-0.1255099622781069,-14.826413057431528,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.895644009882403,10.613814670605278,11.312764766662552,11.989066750945543,12.639881988248552,13.263049061042384,13.857097509268147,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_64,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1220033022348052,0.7795608593483712,2.2401417597371163,4.190047701067472,5.8280974657353175,6.817417177276516,7.312903837170409,7.5393656212985665,7.623511687922966,3.5290637694437668,0.5724584417388248,0.005176395639468,13.16533144141687,5.742530805349392,8.254061296824968,1.8020135266505268,1.2383312605236394,2.6079355037614627,0.1422890102365414,2.230036144357532,0.2609458092983338,8.661755562324277,-0.0929293430552501,-0.3215726799652706,-0.1239631104792364,-1.2312414249475818,0.1677575670478116,-8.130304469362432,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,7.745478516834605,8.499799566500963,9.243700301216064,9.974940796072758,10.69056101227816,11.387259297202544,12.06183124705736,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_65,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2188687107144939,0.9214621951732456,2.2248314601132644,3.899496143786153,5.262112927244514,6.065308844366131,6.462564345985439,6.643105049135544,6.710031436015105,3.337692126979844,0.7208604733805026,0.0236111518753472,10.731800539022124,5.392635215517204,6.379531947930054,1.7919190001447989,1.9030560115651087,4.177793135169159,0.3708773223873712,4.870074590664079,0.1529690461159377,16.932826505572976,-1.8057172123086027,-3.983555200172587,-0.3708773223873712,-4.772735791407573,-0.1066450795552218,-16.932826505572976,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,10.032052374619065,10.751328586766428,11.453301446629007,12.133529415750331,12.788384990522118,13.415166168958445,14.0120784555296,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_66,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2280389379837435,0.9391796926814444,2.12281550406469,3.632812577540035,5.020378463843351,5.926359433045215,6.399508217959528,6.620001994400899,6.7026012976018485,3.1088189390430903,0.7412102596593473,0.0242008230558053,9.179321489834605,4.74839122158244,5.613210872936392,1.6499653966722514,1.717021211758872,3.716815552394768,0.2896634366850699,3.92033412875857,0.2133118656699512,14.086263690263552,-1.108366544791288,-2.500597126057201,-0.2754141146249621,-3.425674038271848,0.0155347227114401,-13.673033350520424,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.479046956279356,10.1899060738164,10.893248779615613,11.582276149909264,12.251374079397886,12.89619298832214,13.51360781280047,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_67,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3196681739106753,1.2175073376769077,2.8781512782733496,5.250242075106678,7.335264345804633,8.611041182940065,9.252192227051587,9.54552938212257,9.654561071226086,4.427268765807983,0.968777793353656,0.0385925648027694,19.94203599182484,10.707180016345454,10.091952409545598,2.436566329313396,3.057267282650508,6.632234949449901,0.5188833709623202,7.20833425034907,0.3875776202251252,25.664003832498945,-2.1315664269726944,-4.786063447928856,-0.5188833709623202,-6.282633394671256,0.0243592605515014,-25.664003832498945,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.252640475268183,10.111142529274431,10.943668757777305,11.742819743909187,12.502926860725598,13.220368882973016,13.893418270864151,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_68,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290169712811092,0.9425224509450572,2.163975580896996,3.812575422364295,5.345037580042211,6.333167690787211,6.84374088285337,7.080329828088793,7.168737113328917,3.233841274839376,0.743568161203368,0.0243666678825443,9.960689114830863,5.122291101939646,5.9299365528202514,1.706087131507943,1.94197886548237,4.192893966723199,0.323693961265834,4.28411725437722,0.2289788976523507,15.549776968321988,-1.1403274339060814,-2.589881325008657,-0.2927672986118563,-3.729879124032753,0.0132174566951592,-14.652903751356632,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.429377401162157,10.147917169121651,10.855800620836463,11.547299544910851,12.21756409221478,12.862776405688592,13.480171390669453,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_69,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.219978391666676,0.925653144598244,2.1454055400016867,3.6132869460721513,4.8601337740168695,5.641489408824704,6.042515396630042,6.228054655211739,6.297359337600834,3.119543959686152,0.7255439966715395,0.0235446093014637,8.986631431363154,4.803550637903066,5.50280143544913,1.7055408176327476,2.359908470037182,5.08851116894699,0.4183198943426118,4.849893016150239,0.1295605685892835,17.970967802429314,-1.2879313429965389,-2.9387500273039886,-0.3112480682641322,-4.634490497737432,-0.1257882183230766,-14.865884846153408,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.899470011357758,10.618022112680546,11.317251891453884,11.993749963517203,12.644690503021693,13.267923082649816,13.86198729373117,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_70,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.121954308650617,0.7795584291738485,2.24070828003906,4.1905893791663535,5.828030265179872,6.816885491972166,7.3121353958841855,7.538490144625481,7.622596760190224,3.529727971019644,0.5724029319551437,0.0051720452551759,13.169024834145857,5.744524678896774,8.254504392847915,1.8027512354864887,1.2528996278429845,2.637839237139896,0.144212162060464,2.2402815510146024,0.2606879914593031,8.722558236311963,-0.0852748844415966,-0.3068833622169648,-0.1234227403964522,-1.2389721809253087,0.1670157755993826,-8.119665008055623,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,7.734240501937799,8.490605563258127,9.236044141039908,9.9684621290287,10.684997010809456,11.38241522891279,12.057561227259006,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_71,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2189075437406727,0.921694421656916,2.226352456070244,3.902780395788304,5.266235817383906,6.069640175707804,6.466920423556978,6.647455386189964,6.714376962676849,3.34046018770202,0.7210056660897814,0.0236129307769743,10.75017280858745,5.400297703558306,6.389709249820628,1.7943783144984042,1.905044876552564,4.182303823190231,0.3714051840976834,4.876286349334032,0.1528633802755985,16.95332806471649,-1.8090069644242712,-3.9906603835750265,-0.3714051840976834,-4.780248437205739,-0.1071202485927796,-16.95332806471649,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,10.03144708893549,10.75150824041743,11.453928339703891,12.134389540474292,12.789344020601566,13.41614143425948,14.013020812116023,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_72,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2280875607202155,0.9393783236256432,2.1231931283405228,3.6325102765009953,5.018673807957372,5.923560067080084,6.396113168071932,6.616326542980465,6.698820519751036,3.108883988107748,0.7413677404127159,0.0242028305793899,9.17955969914552,4.749008264978672,5.613512102291647,1.650566627361557,1.7145410438050508,3.713094141881438,0.2899222646247845,3.936541965514978,0.214429928818132,14.121621448594553,-1.1238208553875764,-2.532868812110697,-0.2777501152137409,-3.443198972385852,0.0157445958746484,-13.768629115674289,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.480806625945936,10.191572399697476,10.894705839200835,11.583471231087143,12.2522926216321,12.8968427895101,13.51400899736599,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_73,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3197474553588029,1.218054678238592,2.881305110117394,5.256549280003711,7.343612570014344,8.620558553734162,9.262310470798605,9.555928769079165,9.665066163283598,4.432625764664653,0.9691011562359846,0.0386095499280444,19.97922604903903,10.727534092077365,10.106864753722157,2.441315530886658,3.055978985999617,6.629359498608893,0.5185864423046898,7.204670524437135,0.3875610694485363,25.65162377609188,-2.12988543704728,-4.782404829255801,-0.5185864423046898,-6.278576975484798,0.0245505598352538,-25.65162377609188,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.238371622943015,10.100016876448992,10.93473187254262,11.73541737117813,12.49661615698457,13.2148516787666,13.88849370279224,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_74,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2289923572537773,0.9424980688793946,2.163621249555304,3.811702716337256,5.344019529909519,6.332215800784961,6.842864781169912,7.079497577933425,7.167922606884829,3.233112402224032,0.7435528466821579,0.0243541245250751,9.958194278747492,5.119892553622145,5.929538344462012,1.705444054244787,1.9352272712701977,4.178403303486805,0.3225456686673443,4.270935652214448,0.2285592210676751,15.500116248186956,-1.1373188101566805,-2.582894121089274,-0.2919635476180313,-3.7176841594954353,0.0134809953677938,-14.613234737756882,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.428701150518668,10.148170307040246,10.856768320955076,11.548808529086475,12.219475355597568,12.864979146366188,13.482577857434388,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_75,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.219887156219444,0.9254869821868272,2.1452315782507254,3.6129681563646967,4.85955256175154,5.64072538461176,6.041660552232679,6.227159258163796,6.296449078753314,3.1192992414973064,0.7253864940900216,0.0235251925058801,8.985246695311954,4.802577830864656,5.502365019276496,1.7052743310186993,2.359316657892553,5.087341567356451,0.4182698525050772,4.84998362380731,0.1295632662682718,17.96978246336679,-1.2886994583295552,-2.9403075932283427,-0.3113333707393445,-4.634858278370172,-0.1257978618672755,-14.868624492160547,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.899416245274075,10.61798457226942,11.317214399514915,11.99370633519269,12.644639952192192,13.267867235509932,13.861928487817268,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_76,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1219658304478131,0.7795995694370138,2.240918948586391,4.190892250799641,5.828196817381056,6.8168862130960335,7.312032840677528,7.538336294732815,7.622423225347411,3.530030599271217,0.5724307664043117,0.005173459711759,13.171141813664084,5.7455053162066765,8.255155610419965,1.8029782088161808,1.2508818812348603,2.634826807276444,0.1446947394511281,2.2510636173056264,0.2603071521208432,8.745027735130076,-0.0977054010650095,-0.3328096339630981,-0.1250227170088458,-1.2552633166740346,0.1659060423598524,-8.174539084303888,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,7.732026236606956,8.489365902780193,9.23558784380428,9.96862861578301,10.685652069166188,11.383447701149567,12.058879955486043,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_77,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2188669282757841,0.921671778350806,2.226761436670193,3.903773088034765,5.267541076490756,6.071071617735554,6.468401843504068,6.64895719720684,6.715885991870289,3.341280768091522,0.7209585686750382,0.0236031275582759,10.756007352256107,5.402540275511374,6.392847312519943,1.7950166879200664,1.905583313981376,4.183639940017021,0.3716589478598828,4.878854896860437,0.1526449369002514,16.961095527104536,-1.811006164617452,-3.9949084702925854,-0.3716589478598828,-4.784277747496515,-0.1075163266016662,-16.961095527104536,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,10.028112238824754,10.748891538676745,11.451825391111475,12.132657582313948,12.78788341092287,13.41488249774108,14.011914623771396,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_78,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2280962337590045,0.9394059064061172,2.123219990027593,3.632808895822392,5.019499926806621,5.924776612334722,6.397531651255923,6.617837219161602,6.700365330589711,3.1090413929472347,0.7413947064079389,0.0241999073340514,9.18132500969578,4.750292940251869,5.613072728598409,1.650544004514971,1.7211744684571624,3.726861687280862,0.2909068814163374,3.942784063061545,0.2141811688739572,14.153293487751371,-1.1218659352522633,-2.529396559182723,-0.2777011993255477,-3.449120986582962,0.0151683406142975,-13.770328707118471,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.482542352916072,10.193686449362652,10.89700483187107,11.585830580251814,12.2546327527581,12.899114073085116,13.516181888364947,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_79,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3197443708204534,1.2182106760830134,2.882028596579759,5.257828168579631,7.345126751470175,8.622137481348116,9.26390415427707,9.557525692758649,9.66666375932084,4.433753615143726,0.9691928640991596,0.0386028728630625,19.98787140655532,10.731573886558774,10.111167291645817,2.4423283278967847,3.056815344500912,6.631213181603815,0.5187665486255416,7.206947733505245,0.3875955496300149,25.65940769501539,-2.130850141754505,-4.784514479506517,-0.5187665486255416,-6.280982530758839,0.0244589655921361,-25.65940769501539,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.234100254429908,10.095095814477364,10.929371735376051,11.729791375148356,12.49086069381308,13.209070723141842,13.882764346301157,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_80,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290312367450886,0.9425870201160672,2.163164177018491,3.809229531188816,5.338915893655367,6.325236476175211,6.83488864677876,7.071055629432622,7.159306116195561,3.231477109836365,0.7436461257530609,0.0243567798207845,9.946840599114704,5.112870740591748,5.926434842119317,1.704743983738326,1.92491888504298,4.155899782397615,0.3204340329079674,4.247727276603043,0.2286338517756294,15.416573912133575,-1.1290065242218978,-2.564421884811029,-0.2903510489450079,-3.692478787485637,0.0148590731270882,-14.544167377207756,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.434748651602971,10.152073442936883,10.859024753392324,11.549792227225506,12.219472705788467,12.864212810733902,13.481222939794716,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_81,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2199318705570449,0.9256761513912068,2.1456184483827587,3.613182129087805,4.859164113134349,5.639758077989612,6.040342622859634,6.225667779218101,6.29489100844725,3.119634582373901,0.7255328703612207,0.0235282443923499,8.983602241117806,4.803485506119305,5.500395525786636,1.7058276197379605,2.35538282203685,5.078399686241766,0.4173413331967782,4.836202657228713,0.1291689146047442,17.92534427126501,-1.2818362409419564,-2.925489997234372,-0.310102479398983,-4.620566906516183,-0.1254364198037718,-14.815417511128947,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.905019380696093,10.622355730369517,11.320601367567972,11.99629796636676,12.646584621093249,13.269283995014025,13.862914191950304,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_82,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1220190853381721,0.7796206947835377,2.24037490758038,4.190503336545316,5.828650523863045,6.817982149718032,7.313461718308118,7.539917446672025,7.624060821110482,3.5294543349623253,0.572502253387955,0.0051780662342807,13.168511098360048,5.74380257899881,8.255764160374435,1.802344234846194,1.2348202815944462,2.6014847185312746,0.1423267634827615,2.2357366641986736,0.2607297993555216,8.667786256654182,-0.1023862749470031,-0.341107843879125,-0.1251145478255283,-1.2410003828090952,0.1671253403976202,-8.168632002594423,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,7.735108829375152,8.490402811514011,9.235079498008556,9.966955228081703,10.683108205905665,11.3802636602059,12.055236288314967,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_83,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2188906201674057,0.921593470033584,2.2252393984764844,3.9002368637486726,5.263144002036813,6.066554138896168,6.463932361674242,6.644532949270191,6.711482215715611,3.3383248153968546,0.7209579165297345,0.0236080207735107,10.736301256747756,5.394428771596435,6.382296885593681,1.7925693604024802,1.9028260145480969,4.177388190295852,0.3709289496803695,4.870257611991053,0.1527841168749469,16.932709066347876,-1.8064634822555985,-3.985096230474514,-0.3709289496803695,-4.773895079698555,-0.1068661479013115,-16.932709066347876,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,10.034328073698918,10.75371005578515,11.455676866795711,12.135836159618666,12.79058984263778,13.417253512494028,14.014043133855886,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_84,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2280984384984877,0.9393257240518116,2.123165390917899,3.6339530843768246,5.022506950907584,5.9291280555989125,6.4025931080133605,6.623228815634544,6.70588032740278,3.1096283937639164,0.7413396707827851,0.0242088222616045,9.185305162977563,4.751315225806263,5.615355944370684,1.6503747167455916,1.723158191526917,3.729602712058525,0.2905416952652958,3.927284744559205,0.2133991153423481,14.118594402147174,-1.1071293804447422,-2.498592265018854,-0.2755158191290359,-3.4314629425671086,0.0152789853043322,-13.68284399419564,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.47716667693932,10.188121794330849,10.8915319230956,11.580613216903815,12.249759446893478,12.8946249732214,13.512086523874087,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_85,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3196885273172125,1.2176008542682597,2.8783915125082298,5.250560788956782,7.335557083782503,8.611282245004256,9.252397789289232,9.545716640157286,9.654741199809086,4.427575263529837,0.968847744422042,0.0385946257790786,19.945074020184407,10.708285450540048,10.094033795347322,2.43692421918042,3.057765050366662,6.633350833826748,0.5190028279337698,7.20978767383682,0.3875751450373458,25.668881810508704,-2.1322632289710364,-4.787576276326383,-0.5190028279337698,-6.284285852441196,0.0242731654837073,-25.668881810508704,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.244524506672333,10.104170820807578,10.93751847072973,11.737277041762589,12.497851000955228,13.21566694620254,13.889028105623916,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_86,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290250557690664,0.9425888968775472,2.1630878063896795,3.8092481641553793,5.339290744418554,6.325932407268577,6.835771852334607,7.072029936321772,7.1603151279777455,3.231422102439029,0.7436489004010376,0.0243532368318239,9.949874844063595,5.112052188908801,5.929559585524136,1.704489991957366,1.922279829469296,4.150587519197709,0.3200603581461632,4.24791441132083,0.2291322552836229,15.410807584267957,-1.1315435749187286,-2.569509680975168,-0.2907043227314417,-3.6920264400880334,0.0153646169764614,-14.55948255724103,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.423774880387889,10.142561813643328,10.850667834841625,11.542358306366296,12.212786282336449,12.85814032666979,13.475662151937508,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_87,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2200070979543002,0.9258245838025698,2.1457608060720124,3.61309844673834,4.85874794081153,5.639120629216314,6.039596409527092,6.224873120514747,6.294078605601626,3.1196543077999337,0.7256691831588779,0.0235445186374335,8.983025028296801,4.80350557998813,5.50009352341749,1.7060108792632944,2.3508481542843342,5.069003433735974,0.4167295060212459,4.831611607912571,0.1290677452973984,17.9028323683334,-1.2832765343395431,-2.928076918064676,-0.3100954317035295,-4.617112582509511,-0.1253209829062727,-14.810444213119624,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.902453305961052,10.62014552339486,11.318646587038431,11.994530743745432,12.644959678514676,13.26777118501411,13.8614932963053,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_88,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.122009023366998,0.7796077047270958,2.240378662919431,4.190459292754311,5.828612007459872,6.817994852182997,7.313514727523439,7.539992066044606,7.624143969530998,3.5294273090664694,0.5724864598003829,0.005176890717942,13.168349967530526,5.743726749823527,8.255720853669601,1.8023837198622024,1.2221698626509117,2.57551877016308,0.1406052984169099,2.2273671405336226,0.2611996041256503,8.61636468862055,-0.1091049281103325,-0.3540206331961577,-0.1256496597353388,-1.2339473154456118,0.1680103687723633,-8.182651166854988,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,7.7452154754214,8.499229490612596,9.242913064387045,9.974004871371076,10.689528776618978,11.386170577014456,12.060715965021208,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_89,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2188877481906268,0.9215445343207064,2.225133382963449,3.9000811304011824,5.262883669848115,6.0661844067029485,6.46349314255282,6.644058613598741,6.710994291259626,3.338190659562111,0.7209226734790753,0.0236107521062296,10.735375270474274,5.39406848144456,6.381665152161284,1.7924160628870804,1.9016018311258105,4.174671251907327,0.3706618409256089,4.866896558530681,0.1527375555387788,16.92124597414123,-1.805016578130278,-3.981935301817978,-0.3706618409256089,-4.77031130553515,-0.1067257331091471,-16.92124597414123,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,10.030165883781162,10.749487359416216,11.451522318940237,12.131824496878387,12.786761799062887,13.41362838856779,14.01062682948457,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_90,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2280628291022879,0.9392386671694408,2.122950914717937,3.633479149678748,5.02182235527776,5.928310456069016,6.4017031857378415,6.6223040895377245,6.704942356259513,3.109242795720661,0.7412638945574084,0.0242034150429939,9.182251931576392,4.750981343346591,5.612056454749426,1.6500491949177922,1.731339308145588,3.7467291257959534,0.2917487284902423,3.9375810316654816,0.213567540587225,14.164316593002546,-1.1063054115055573,-2.4976556373218126,-0.2757802154399867,-3.4402952394274955,0.014932410211645,-13.701229714545132,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.481874332465638,10.1927646895088,10.896084080606196,11.585048494269538,12.25405610405631,12.898767083044165,13.516063838498935,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_91,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3196825201831048,1.2176095296081713,2.8785555225751938,5.251098771880558,7.336533969789062,8.612590388077194,9.253892411015071,9.547301219531803,9.656359969484312,4.4279697826655005,0.968848403704026,0.0385930783459502,19.94885489144448,10.71011790877007,10.096003193926109,2.4374439068132645,3.0563054034937145,6.630116541958568,0.5186893051482316,7.205819844679567,0.3875134574017685,25.65531312043321,-2.130587647988601,-4.783911336266946,-0.5186893051482316,-6.280102089174455,0.0244309437980068,-25.65531312043321,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.252204113932684,10.110750225341183,10.943293163820783,11.74244729870798,12.502552023699982,13.219990474016653,13.89303726088194,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_92,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290203388456515,0.9425362624320148,2.163765075124453,3.812499624459572,5.345667214582967,6.334444848056674,6.84539667075178,7.082169872492175,7.170647353067768,3.233630100985451,0.7435897593396049,0.0243640329230526,9.966052801437408,5.120544664345204,5.935626145132384,1.7055736126473926,1.9242121456128487,4.154739894045108,0.3206116783330824,4.24963205733737,0.228120574576811,15.419643412691787,-1.132233690880389,-2.57112810434176,-0.290677488965565,-3.697127117545049,0.0141693660222846,-14.551551921033784,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.434200395021495,10.152299881072407,10.859802386301077,11.550966579647094,12.22093380391972,12.865880084877398,13.48303586753073,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_93,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2199637369358195,0.9256800564673452,2.145478887290309,3.6131018234325336,4.859587572954772,5.6407652039150245,6.041730419754882,6.227249853583404,6.296548547760825,3.119483868752676,0.7255554356606548,0.0235372775546846,8.986120767373475,4.80304117514519,5.503049101175668,1.7055796166442652,2.3550859151726127,5.078433712229737,0.4176223600914062,4.844003424302101,0.1294402951600206,17.94446951296167,-1.2885993284903483,-2.93968513808328,-0.311114688641186,-4.629578209221597,-0.1256176718963864,-14.855747040905284,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.909307839771245,10.626747891351163,11.325015949059429,12.000680736516845,12.650898301409914,13.273502620525909,13.86701976192353,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_94,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1219764837667955,0.7796332957253126,2.2408967692197264,4.190787534074796,5.828161483302184,6.816968899500035,7.312194868282946,7.538538770920123,7.622641373722788,3.529939593770294,0.572461862185187,0.0051739848086748,13.169872864457217,5.745273382660155,8.254852016932343,1.8030622425566751,1.2353596987581947,2.6026381034349875,0.142380868036125,2.237088238989985,0.2609287297343123,8.672537444116875,-0.1026249790672994,-0.341666755323259,-0.1252160675289738,-1.2416719233562996,0.1672698022865278,-8.17475822940949,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,7.733171438433152,8.489536009522626,9.235009552283506,9.967484868408274,10.684089753336089,11.381583725077707,12.056806464951404,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_95,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2189684521087507,0.9217812755864075,2.226499649581376,3.903009814779296,5.266497347933866,6.069908008806075,6.467188725581229,6.647723423766179,6.714644833944175,3.3406670225694484,0.7210891738472491,0.0236295651730671,10.751617239826643,5.401016910722408,6.3905407510915655,1.7946310923622708,1.903830062586128,4.179672508928333,0.3712022243128914,4.87344785708926,0.1527225251056199,16.943194799188472,-1.808192180542787,-3.9888254622334864,-0.3712022243128914,-4.777809975045918,-0.1071190319134039,-16.943194799188472,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,10.025251460475364,10.745844818543077,11.448734909883392,12.129615133167826,12.784945656045249,13.412082011653624,14.009267765911272,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_96,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.228120744709268,0.9394379402035756,2.1232867944817,3.633002091151357,5.019767680780849,5.925028556587706,6.397752043827533,6.618037383799859,6.700557016880793,3.109187658024192,0.7414251801981688,0.0242089641290527,9.181187831840807,4.751359175047055,5.6114157768663,1.6506236427938452,1.7263700577527985,3.737565045382929,0.2916858554573727,3.946219860820024,0.2137076191859405,14.17437248139507,-1.119465346451081,-2.524843745008728,-0.2774812253834032,-3.452952190110063,0.0144991408916691,-13.762438209249954,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.479785885387049,10.190786719182729,10.894071724871962,11.582929208556306,12.251801771687909,12.896376085015984,13.513549481567315,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_97,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3197542334438968,1.2181367181185847,2.881691789814676,5.257412807622366,7.344931500054624,8.62219893787807,9.264128389491855,9.557831808891963,9.667001486358854,4.4333232143855525,0.9691541457929156,0.0386082724507086,19.98619327374136,10.73041803162935,10.110869540248688,2.442014151257355,3.0553845825721697,6.628014771609801,0.518431954449516,7.202840218168296,0.3875862246517729,25.645562001851165,-2.12893496192299,-4.780349970668111,-0.518431954449516,-6.276390597519117,0.0246838565371121,-25.645562001851165,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,9.23766576769246,10.099270154481252,10.93393742080208,11.734578132594573,12.495740528385694,13.21395032110609,13.887577505612358,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_98,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1047434798748785,0.4796487400255251,1.1710700659422295,2.3175299466773707,3.572522786060061,4.447276212559834,4.914661952399784,5.13433703398284,5.216897242694253,1.886453121773053,0.3731600338408911,0.0089013602862252,4.010442684335382,1.6397461708962553,2.4485044480012705,0.6494108113103518,5.742151851037138,12.028175614861636,0.8200623072406388,7.617276159735724,0.2803681622180143,33.1057341426055,0.4698876218973303,0.4262840208995716,-0.234390538587323,-6.090610836027781,-0.0886903338217718,-16.12125285165934,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,12.68022209766118,13.510395979329711,14.224963741862162,14.84502072519293,15.3888905494342,15.871763777697923,16.305839784333916,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_99,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1047471532207028,0.4796635709729829,1.1712170839090972,2.3178265654788177,3.5728883109352885,4.447669272915146,4.915066692464464,5.134746818428234,5.217308865763117,1.8867087365923207,0.3731662938496515,0.0089026370203665,4.011686052943776,1.6401571342148402,2.449269563724825,0.6494911302146857,5.744785010997991,12.034042733375344,0.820635178969237,7.624930368491716,0.2805312216973264,33.13147994408301,0.4665182677182302,0.4189422949175772,-0.2350181696867155,-6.098563164035665,-0.0889474503322564,-16.14858667488989,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,12.68172888575578,13.511736765587344,14.226162845359491,14.846099397245675,15.389866717281746,15.87265231035245,16.30665292774525,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_100,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.104725346649646,0.4796534293246619,1.1714024799874398,2.318224700663407,3.5732435333733465,4.447902443794834,4.91521584887181,5.134853086108233,5.217398524326115,1.8870630749384376,0.3731447412813012,0.0088979724767699,4.013684578380251,1.640652699796488,2.450801798961155,0.6495692042707939,5.741351526345461,12.026756976364627,0.820085985118899,7.61932933063437,0.2803874971374301,33.10903276265818,0.4671854730703981,0.4206803194980818,-0.2347472255361135,-6.093502407880794,-0.0888041265918238,-16.134208734757408,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,12.67726779588566,13.507382178389548,14.222050262346889,14.842291027936604,15.386382820274806,15.869489644141744,16.303795636492683,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_101,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1047177731070997,0.4796371422987892,1.171342873678773,2.318070941154399,3.573033499552691,4.447668054718226,4.914971035658124,5.134603784498657,5.217147590630148,1.8869389434865933,0.3731292303641674,0.0088970807592063,4.012423124055069,1.640565065495332,2.4498844636463737,0.6494497833051609,5.7436046013775375,12.032054975186668,0.8207003502436008,7.629470214811314,0.2807160184017667,33.14020346618994,0.461436841763423,0.408370147432308,-0.235733201679222,-6.104165960185385,-0.0890357247712209,-16.176156157822952,10.0,20.0543,1.0,2.0,0.4900000000000002,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,12.676831046318794,13.50694519219485,14.221640811140038,14.841922736794196,15.386061073207223,15.869215088246698,16.303566279468097,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_102,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0811922209952978,0.9080901811277728,3.3189868111532213,6.354439558635413,8.686177991051352,10.038233824187138,10.705598080374866,11.009011664810618,11.121531123469444,5.363764479973572,0.6038986273727044,0.0016252001342519,26.24310071536865,15.0495497705855,13.267238218203754,3.598181414046468,1.14460123975096,2.491039069458108,0.2020383768933189,2.760908254897512,0.130525595014204,9.76377373662118,-0.8757825291822299,-1.954920474035361,-0.2020383768933189,-2.4920895443287816,-0.010901268811119,-9.76377373662118,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,5.7338690016825735,6.554811456736712,7.4023364396336895,8.2618484022057,9.119209653566028,9.962156716663374,10.78092313926931,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_103,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0812451097581427,0.9083784641090528,3.319595608993021,6.355320706818406,8.687315016121643,10.039550803686492,10.707011980741756,11.01047124812643,11.123007892084136,5.36455456597723,0.6041197180271188,0.0016272957334078,26.25061003873869,15.054103317690917,13.271012869446876,3.599425845816848,1.1442890428393262,2.49033588078218,0.2019602411184853,2.759970971787209,0.13053317196634,9.760650036566338,-0.8753133683455274,-1.953904244355472,-0.2019602411184853,-2.49099529729341,-0.0108389968165995,-9.760650036566338,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1511,5.733210392215811,6.554030389730006,7.401448381287429,8.260872327828999,9.118165450623495,9.961063455989365,10.77979806166115,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_104,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.013102078469573,0.1401062240148362,0.5178950682233353,1.3422780895008033,2.307621218647781,2.985340110918518,3.346972170425097,3.5167138222920293,3.5804645194031544,1.019366459142117,0.0965885002000872,0.00018469550854,2.207457672981344,0.3766402036556047,1.678482311255871,0.0432644609819259,12.221796066961671,25.0987879167913,1.5239556392421425,9.686983994495735,0.2388553300066882,53.85154657949333,-12.221796066961671,-25.0987879167913,-1.5239556392421425,-9.686983994495735,-0.2388553300066882,-53.85154657949333,0.0,0.0,0.0,0.0,0.0,0.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM1511,20.840148902930284,21.138613080280283,21.410860543959146,21.65798107104449,21.88134096470825,22.082601485782646,22.263606026028583,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_105,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0130983542707357,0.1400946897375045,0.5180723202398523,1.3430822131175808,2.3090639168068474,2.987174328960913,3.349001215548369,3.5188315154567564,3.58261508494824,1.019930419580754,0.0965755659848652,0.0001845915177809,2.2099451171154385,0.3771367591543014,1.6802916319264227,0.0433499038808936,12.220202674582003,25.0953272185158,1.523660353572953,9.683402601670467,0.2387594657206304,53.8386330092877,-12.220202674582003,-25.0953272185158,-1.523660353572953,-9.683402601670467,-0.2387594657206304,-53.8386330092877,0.0,0.0,0.0,0.0,0.0,0.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM1511,20.84037303346576,21.13881935280904,21.411050422406035,21.65815593257129,21.881502120685017,22.082750173771903,22.263743398273814,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_106,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0131017870131058,0.1401291594408313,0.5185586116223895,1.3447627141138931,2.311813489589897,2.990528610276518,3.352643485258727,3.5226020768933326,3.5864327889197107,1.021176240785272,0.0965945741430487,0.0001846871921173,2.2141843139668507,0.3781061991485016,1.6832816074313726,0.0435807129896524,12.228605178222791,25.11320998019828,1.52502956981793,9.697778283540169,0.2391390803717541,53.89526718858077,-12.228605178222791,-25.11320998019828,-1.52502956981793,-9.697778283540169,-0.2391390803717541,-53.89526718858077,0.0,0.0,0.0,0.0,0.0,0.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM1511,20.84897519572936,21.146676180990948,21.41821546495268,21.664689122082496,21.8874637104896,22.088197598624934,22.268729763707924,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_107,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0130983016357717,0.1401067611873882,0.5184123040038847,1.3442522368884304,2.310889990660951,2.9893247183116185,3.35129169392854,3.5211810983497327,3.58498585144759,1.0208087837857305,0.0965788991209166,0.0001845899915541,2.21262626705323,0.3779063798938085,1.681901710807094,0.0434799672343867,12.229915335351738,25.116072065829705,1.5252808473261703,9.70092659805425,0.2392235862460225,53.9064026137708,-12.229915335351738,-25.116072065829705,-1.5252808473261703,-9.70092659805425,-0.2392235862460225,-53.9064026137708,0.0,0.0,0.0,0.0,0.0,0.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM1511,20.848808393281583,21.14663227145767,21.41825129809797,21.664776165198266,21.88758291400872,22.08833616360453,22.268879062325425,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_108,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975003545408715,0.6140718023190286,1.8910154646094504,3.8765929749179935,5.757934507253389,6.967082140220744,7.589687122974146,7.877658042118706,7.985178583542307,3.1690745305718058,0.4474242224697378,0.0048035596123818,11.817511685309707,4.550660266423038,7.2881168810058,1.1820879717310182,3.663083917552452,7.921864974125894,0.3821260516252136,3.430922628573257,0.5343120598404129,15.793281393051224,0.8007892494216312,1.9076542217589365,0.0877553343720582,-3.430922628573257,-0.5343120598404129,4.0184527029250106,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1511,10.90061180168536,11.678401833442145,12.428595542551548,13.148204265795677,13.834551205217142,14.485665576612838,15.100410904892955,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_109,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975037694471298,0.6140449306960867,1.89033361069838,3.8740571686107375,5.754215581640758,6.96299315051118,7.585509916316275,7.873460836672055,7.980977076156611,3.167171731011852,0.447411787850154,0.0048041493659587,11.80773491191249,4.543759597378387,7.285025254481684,1.1807597352045118,3.645496776355608,7.883234519484566,0.3795429128146468,3.405924218088228,0.5329650228942128,15.70507527841144,0.8003890347091452,1.9066762346770367,0.0884450672974325,-3.405924218088228,-0.5329650228942128,4.061161457722871,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1511,10.968889433624112,11.741251214997986,12.486617492340583,13.201894357556784,13.884329655422707,14.53189626263312,15.1434137479639,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_110,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0974696146059422,0.6138310889956817,1.889631690624452,3.873027236823359,5.753198394139675,6.962090953679872,7.584693018612667,7.872688835689776,7.980222685939799,3.166207297943968,0.4472648663363659,0.004801036099533,11.807669122718751,4.540122640978802,7.286561389023956,1.1793815755614074,3.637502365416158,7.865957268350236,0.3785077524096735,3.393569378592306,0.5317677174295018,15.662313267982276,0.8030622857212404,1.9122362076330168,0.0889201056047895,-3.393569378592306,-0.5317677174295018,4.078807395786915,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1511,10.939780577937618,11.713967665849983,12.461024599326162,13.177879289452646,13.861791721044376,14.510741932232056,15.123554361893056,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_111,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0974484182907634,0.6139196630523562,1.890708526268961,3.876156447330593,5.757630276296419,6.966989719324891,7.589737569646518,7.877781684583775,7.985330660495983,3.168655450260078,0.4472953973579831,0.0047984229112271,11.819755922045722,4.548797425452638,7.29043974148654,1.1813320418406543,3.661367074009705,7.917838699509816,0.3814736162407919,3.422970003914463,0.5346993650132303,15.776212818129116,0.8038853545910075,1.9147176522546685,0.0885529551908621,-3.422970003914463,-0.5346993650132303,4.05938637613193,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1511,10.950590180817091,11.724826776119851,12.471795597875834,13.188456963536916,13.872098186227513,14.520722113808976,15.133171787721302,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_112,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975280585320188,0.6141221661043285,1.8910882541086265,3.876891059320675,5.75850982022885,6.967828711736555,7.5905163651919105,7.878524034328547,7.986058044599699,3.169276280289157,0.4474749583825636,0.0048063823370372,11.82003241975234,4.551353781612288,7.289588670611493,1.182153598508394,3.6625314019199937,7.920627278883813,0.3820220006917267,3.429964046398471,0.5343192173411775,15.790300534481942,0.8007631595122492,1.9076178184620072,0.0877984794590356,-3.429964046398471,-0.5343192173411775,4.021359685174303,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1511,10.905028734838902,11.682248510859685,12.43195031328004,13.151135983768665,13.837119721964054,14.487922488369454,15.102400416299956,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_113,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975030221261763,0.6140937607477059,1.890568997165236,3.874583457546736,5.755017667371911,6.96397482161114,7.586585113619651,7.874579569050352,7.982112110512041,3.1675946810443785,0.4474392067147549,0.0048039184828548,11.809666379752008,4.545339232035635,7.285762784910534,1.1811481214709918,3.646365526377606,7.885186730924244,0.3796363776796131,3.405703852531825,0.5329385893834655,15.706811210638982,0.8020131315060383,1.910213311293295,0.0886140073607705,-3.405703852531825,-0.5329385893834655,4.06591639788528,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1511,10.966069118209804,11.738644080428475,12.48422386596546,13.199708541595,13.882341311307943,14.5300920905326,15.141778937502249,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_114,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0974950986555341,0.6140719991936561,1.89066340207185,3.874975407926671,5.7556343694211725,6.964693212422983,7.587343421064275,7.875353626592807,7.982891621180211,3.1678830973828536,0.4474177819934183,0.0048031726009924,11.810626211014494,4.546582799918939,7.285977031161129,1.1814505945379594,3.652518070050913,7.898428754724833,0.3804716121808271,3.416930559522217,0.5339754119200774,15.7428256852533,0.7980424836298702,1.9017758564889948,0.0880084461013605,-3.416930559522217,-0.5339754119200774,4.044299042074637,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1511,10.926102168790438,11.701729560357272,12.450004138036723,13.167896751337375,13.85270166078445,14.502425934179035,15.11591521479994,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_115,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0974799509073422,0.6142068625463453,1.8918490004678985,3.878266417236346,5.760257178853571,6.969781700346102,7.592570018702198,7.88062329949716,7.988174196798509,3.1704754799714783,0.4474805361492079,0.0048011356601292,11.824059710248427,4.555804812475873,7.290715468078775,1.1835578692442552,3.661740073016056,7.919301568061361,0.3821525906358179,3.428416183844349,0.5334063384566786,15.784175943940404,0.8039990463344275,1.9143264844187056,0.0879252114010748,-3.428416183844349,-0.5334063384566786,4.015080774550675,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1511,10.937323224803675,11.71268009243468,12.460636941510565,13.178173190062106,13.862593086466058,14.511913754487496,15.12498998434127,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_116,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0927827752874849,0.418022915149612,1.3728111139196515,3.1502658267881603,4.885157615722434,6.00034881551879,6.5742438204663305,6.839666142324642,6.938770389925553,2.502954919610238,0.3155915640732236,0.0087177849854046,7.439881018994872,3.245038959288149,4.280143784238147,0.745538397320385,6.405055711634491,13.94611945765734,0.8288975497822111,8.333585194241378,0.7427803523354668,31.244855861525163,-0.022886611822689,0.1075176712192999,-0.1570902761178109,-8.333585194241378,-0.7427803523354668,-8.194657174475724,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1511,15.814224459799211,16.417471125092135,16.94752407493621,17.41679586622737,17.835510361141257,18.21212604975472,18.553591098900945,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_117,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0927906862494529,0.4180649908640892,1.373010450898986,3.1506384590682104,4.885586271077091,6.000770722764916,6.574651361414014,6.840064748071439,6.939165302448473,2.5032808317850685,0.3156189197591821,0.0087191669803359,7.441644778799431,3.24565397890394,4.281295274187286,0.7457013789948379,6.406703614535172,13.949718379367832,0.8292013934093446,8.337679602131413,0.742951947721674,31.25616419881788,-0.0245558978286128,0.1038716635734314,-0.1573963705981279,-8.337679602131413,-0.742951947721674,-8.207746361481023,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1511,15.81241542011064,16.41586135077159,16.946084950815685,17.415502332165445,17.834341176276354,18.21106349410553,18.552620487734305,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_118,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0927643316097843,0.4181070929952549,1.373527166310482,3.15154108115023,4.886495813323206,6.001564879144956,6.575358669289711,6.840726452301398,6.939809156323504,2.504100624616893,0.3156155901599118,0.0087144008907925,7.445132704254042,3.24781908483422,4.282966405313275,0.7460943068134751,6.407636064253219,13.951753966879664,0.8293286765522283,8.33896750088412,0.7430492326683614,31.26082099062787,-0.0245888113995343,0.1038168688607731,-0.1574289657255247,-8.33896750088412,-0.7430492326683614,-8.209484700482248,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1511,15.852710745823147,16.44992692148029,16.975138148830478,17.44048754867459,17.85599505906331,18.2299650911928,18.56922892502672,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_119,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0927589737421656,0.4180303347733108,1.3731139700681847,3.150748809438183,4.885519069860345,6.000527412098118,6.574302991987335,6.839664929563316,6.938745841423826,2.5034170175565573,0.3155719794929534,0.0087136048170952,7.442284909162139,3.2460287095650884,4.28158207841008,0.7457046544418342,6.406882209621212,13.950083670362984,0.8292197588368627,8.338154474865775,0.7430216948263992,31.25752886882046,-0.0249371879386087,0.1030600349350826,-0.1574360723439571,-8.338154474865775,-0.7430216948263992,-8.208704378412333,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM1511,15.861280867480945,16.457118743424253,16.981231597000857,17.44569544770234,17.86048120013666,18.233857084028465,18.572627370027813,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_120,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0780653696077798,0.5770174460980204,2.032592788123196,4.296177819266995,6.324899555777533,7.586770201118757,8.22727069918938,8.521743034455898,8.631426291808936,3.505323776674877,0.4057962466290659,0.0031638432103496,16.93299073267216,5.660305025605331,10.395483550144109,1.2082871264376984,4.962949903739352,10.513775624409362,0.5973913772774162,9.74208092195868,1.0884038747688556,24.81474951869675,-4.962949903739352,-10.513775624409362,-0.5973913772774162,-9.74208092195868,-1.0884038747688556,-17.00264689072238,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1511,12.656594718926948,13.495858560358384,14.28053010596469,15.011884256487749,15.69112962891464,16.3198639430087,16.90017751075808,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_121,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0781560000998541,0.5776280973504004,2.035262908788683,4.300982451932506,6.330871290674434,7.593315395613568,8.234088605842356,8.528684518547136,8.638413663685018,3.509519330340778,0.4061888912011244,0.0031717365184087,16.942214116068353,5.6761857550899695,10.398353233827754,1.2159312308601475,4.957233371755112,10.501256947643132,0.5963070898277658,9.72769009037724,1.0878930570039638,24.78616685877556,-4.957233371755112,-10.501256947643132,-0.5963070898277658,-9.72769009037724,-1.0878930570039638,-16.95532942916805,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1511,12.948053243023647,13.758398757474447,14.518130406214672,15.227764191742883,15.887950981450109,16.499864565829096,17.065262785524588,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_122,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0781334716049976,0.5777107292671828,2.036029891015368,4.302495028303087,6.332907055737056,7.595689655706287,8.23664786887651,8.531332571613559,8.641095434965923,3.510806887573201,0.4062068144490081,0.0031693002154797,16.949409268513644,5.681290807039008,10.401836658774128,1.2175747096849154,4.958146857993548,10.503140729131502,0.5963671961397732,9.729084427111731,1.088186859045054,24.79073428996774,-4.958146857993548,-10.503140729131502,-0.5963671961397732,-9.729084427111731,-1.088186859045054,-16.954969439816377,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1511,13.038407162274977,13.839305602859376,14.59098880590305,15.293686248951934,15.947841037316806,16.554471460120833,17.11521547871463,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_123,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0781064228469654,0.5772960769748502,2.033731706995169,4.298357808866841,6.327846273785783,7.590180016113573,8.230919649307433,8.525503551751022,8.635228670211319,3.5071745600601743,0.4059809181884606,0.0031668331258724,16.942687882987705,5.667304534774902,10.400369085952788,1.2108965971553998,4.961743159494125,10.511089507787698,0.5971203360302907,9.73870584773645,1.0883750759180906,24.808715797470622,-4.961743159494125,-10.511089507787698,-0.5971203360302907,-9.73870584773645,-1.0883750759180906,-16.989707724649723,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1511,12.728273921562964,13.560570828022357,14.339113048144116,15.065056470074795,15.739514144383053,16.364003751371364,16.94054696489513,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_124,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0781307408957373,0.5772977862312101,2.033353326640076,4.297305512684255,6.326285935935311,7.588364433297929,8.228992276028869,8.523528693842069,8.633236745491853,3.506349674029931,0.4060061438090288,0.0031694183063402,16.93989112727184,5.664251146314308,10.399210118204063,1.2094164791551727,4.966480319319505,10.52132505273262,0.5978846256561658,9.749557324568832,1.0890500689918687,24.832401596597524,-4.966480319319505,-10.52132505273262,-0.5978846256561658,-9.749557324568832,-1.0890500689918687,-17.019522199334077,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1511,12.661887804236374,13.500524500356152,14.284658364783873,15.01555069699362,15.694398598186392,16.32279000475169,16.902806920452843,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_125,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0781721830410043,0.5778577191460872,2.0363250545848524,4.302774859878918,6.33307560763856,7.595769736648105,8.236679750435771,8.531341723232755,8.64109603869128,3.5111115250050124,0.4063226128655074,0.0031726310309,16.951327486255153,5.682370891896889,10.40273231377576,1.2177244205365734,4.960703641337589,10.50864410862035,0.5967592957572954,9.734778007395953,1.0885894408502983,24.803518206687944,-4.960703641337589,-10.50864410862035,-0.5967592957572954,-9.734778007395953,-1.0885894408502983,-16.969632496322728,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1511,12.89177553639816,13.707248090911143,14.471433508315188,15.18498284661484,15.848642094449607,16.4636547329046,17.03183176803971,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_126,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.078127903268031,0.5776724191767528,2.0359852562595298,4.302759157312381,6.333505783513739,7.596464713050453,8.237497623070775,8.532212932854558,8.64198657352872,3.51094219612592,0.4061817764222411,0.0031689931132931,16.95470867939832,5.681596669517768,10.404961064981586,1.2171255096941946,4.953309403752017,10.49282567599383,0.595719795754642,9.719067769789156,1.0872480676296945,24.76654701876009,-4.953309403752017,-10.49282567599383,-0.595719795754642,-9.719067769789156,-1.0872480676296945,-16.93383868406485,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1511,13.079564313141285,13.875042202458191,14.622369109510547,15.321503804924324,15.97269859826813,16.576835589152367,17.13545394976958,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM1511_127,RSM1511.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0781185559996737,0.5772412067713663,2.0333605843357643,4.297935880624522,6.3275407720331405,7.589936363327342,8.230694882626938,8.525283895526506,8.635010297935086,3.506730660693026,0.4059659491591177,0.0031680029887849,16.943996904524365,5.665473443107079,10.40179029808733,1.209986163846674,4.957495706248346,10.502039500510566,0.5965586548667604,9.729964945182427,1.0875381114053382,24.787478531241728,-4.957495706248346,-10.502039500510566,-0.5965586548667604,-9.729964945182427,-1.0875381114053382,-16.971627309431497,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1511,12.730283781481477,13.562456377331443,14.340848446953077,15.066634916383286,15.740940065568596,16.365287507372777,16.941701504337363,[Fe].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1sql.cat0,"linker n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, nodes [Fe], topology sql"
RSM0218_0,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2691339275973373,0.9804777226984802,1.8729768687807509,3.073989671868544,4.372982292855832,5.291298078420781,5.786435481345998,6.020170667750659,6.1081775161854255,2.629812414955424,0.802501046901197,0.0280784117839006,5.579362054119409,3.4522872909201827,2.9799156604498656,1.1037101257021198,2.9663872367294783,6.256755136080733,0.3304921877666544,5.610324738862713,0.7003694682821406,21.44177993898048,-0.3385346409370661,-1.0158973116621364,-0.3304921877666544,-2.982472143070302,0.4690249368454828,-21.44177993898048,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0218,19.343850510109544,19.89535287267632,20.33154021307165,20.6815898264466,20.966267145260726,21.20058375740749,21.39556128398314,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_1,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2692062642794263,0.98051771320689,1.8702784883949577,3.0639668758951486,4.356518445477333,5.271412137435264,5.765020405226072,5.998101225874103,6.0858722305750295,2.6224602025991373,0.802612935031385,0.0280843999663234,5.536763066438315,3.4284161141807186,2.9666593351988784,1.0996889302645647,2.9562303390654545,6.2345013611243845,0.3285548970516238,5.584669515478445,0.6994820689123326,21.35224963635975,-0.3293186314507835,-0.9955199970430654,-0.3285548970516238,-2.9577578078637745,0.4694936409761961,-21.35224963635975,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0218,19.351335666778024,19.902210280974423,20.33774139058213,20.687167598172287,20.9712776634598,21.20508887885749,21.39962071160385,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_2,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2691492217854258,0.9805082939630008,1.873008873464511,3.0740349125361823,4.373035061548605,5.291348075390941,5.786481458757476,6.02021418654459,6.108220020235531,2.6298524204752023,0.8025299834834823,0.0280804091639481,5.579470147353476,3.4524022251230173,2.979968879816821,1.1037572259697617,2.966264993934706,6.2564674575770365,0.3304496240806189,5.6098619865796575,0.7003948771497837,21.440317451285903,-0.3382312468714831,-1.0152483541215014,-0.3304496240806189,-2.981828239516434,0.4690801402933506,-21.440317451285903,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0218,19.356418555373427,19.90619086510496,20.340949259696725,20.68981480138821,20.973505474317413,21.206994501965543,21.40127302255285,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_3,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2691979370202804,0.980509038092241,1.870273026588271,3.0639664073102697,4.356527565118274,5.2714301059406985,5.76504365238726,5.998127065799975,6.085899061960872,2.6224574885177456,0.8026037818601884,0.0280815313065796,5.5368091419337615,3.4284126932176267,2.9666910835530653,1.0996813030946786,2.9562915955605136,6.2346310292271845,0.3285621726472815,5.584788976738766,0.6994956863107757,21.3527014307482,-0.329330130912301,-0.9955504322060222,-0.3285621726472815,-2.9578275120905526,0.469502165457679,-21.3527014307482,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0218,19.35109597502454,19.90168626864985,20.337076636251947,20.68644357877998,20.970540601076245,21.20436465803424,21.398923339323115,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_4,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2687375969811768,0.9799754613080494,1.8801818951534368,3.112566591580132,4.441568972080551,5.374648091869666,5.87568648454281,6.111746070626655,6.200554703912396,2.6561562433311425,0.8019297038493823,0.0279824690876334,5.751203188255707,3.528984773628498,3.065209601372341,1.1188773631800792,3.07808091803117,6.509499599877916,0.3595783949742989,5.954708077825562,0.6955365179470603,22.581972489641828,-0.517703031711819,-1.403209962296919,-0.3595783949742989,-3.394330191506211,0.4438316414650513,-22.581972489641828,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0218,4.639419121540736,5.037028511857837,5.4789105439633055,5.954028729755325,6.450882739626355,6.959067404219274,7.46999317602498,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_5,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.268726725309705,0.9799518965644308,1.8801484723644577,3.112507083298228,4.44147842554588,5.374536748739322,5.875564462533183,6.111619140975399,6.200425948556183,2.656107240067993,0.8019079910480942,0.0279812803567952,5.750930189875675,3.528841271840194,3.065067109876592,1.118831045118108,3.0781146966369035,6.509585178851248,0.3595960597990719,5.954883175029479,0.6955184278801618,22.58249467916596,-0.5178459013538165,-1.403513106978425,-0.3595960597990719,-3.394614379746392,0.4438011860208118,-22.58249467916596,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0218,4.637118060365902,5.035537965340302,5.478122945436066,5.953838154468386,6.451190744329504,6.959785456921941,7.471043398237712,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_6,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1358858007032276,0.4920239095281573,1.3150984068722738,2.709014401919871,4.144574613680873,5.124439320068966,5.645694994820949,5.89051076420647,5.9825120421069,2.197894680346648,0.3870162802980779,0.0185765098943812,6.410345846004391,1.958914005184479,3.925193619160103,0.2650399414004444,6.4225898068119305,13.836627691151154,0.9805557891651088,14.062422191839092,0.986723413217762,36.65262197263216,6.4225898068119305,13.836627691151154,0.9805557891651088,14.062422191839092,0.981364477000546,36.65262197263216,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0218,4.638355398944304,5.035386576354958,5.476787347567621,5.951511732960114,6.448051981207143,6.9559954013566765,7.466744346845989,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_7,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1358576191745559,0.4918594535254271,1.310225279644781,2.6950623261306013,4.124255199699771,5.100809207005487,5.62050478584082,5.864622919352951,5.956366994577716,2.1868997991461097,0.3869834398879519,0.0185682492454965,6.367480411320433,1.930015428473904,3.912885288379578,0.2622897373046149,6.373725459983261,13.732377744189458,0.97547667623235,13.9919643117395,0.9775529480418884,36.5296195246974,6.373725459983261,13.732377744189458,0.97547667623235,13.9919643117395,0.9726926619963452,36.5296195246974,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0218,4.644747867072766,5.041419415815916,5.482712984027742,5.957473530988685,6.454117905098124,6.962184116959335,7.473044492479777,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_8,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1358849629937537,0.4920256404101968,1.3151051394213678,2.709038256801415,4.144630464604613,5.1245246753981775,5.645798271879654,5.890622948113541,5.98262765069961,2.19791066148493,0.3870171457420115,0.0185762247321918,6.410464370349963,1.958956368366373,3.9252624930691846,0.2650446414484285,6.422789420775342,13.837047593431308,0.9805631888387444,14.062508105077876,0.9867706621790018,36.65224891213523,6.422789420775342,13.837047593431308,0.9805631888387444,14.062508105077876,0.981407197677855,36.65224891213523,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0218,4.637763596417074,5.034812781816979,5.476228624533464,5.950966605926901,6.447519963997538,6.955476616090706,7.466239233967578,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_9,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.13584484886643,0.4918418779322923,1.310229042168089,2.695102655929365,4.124317690303227,5.100880605808522,5.62057945282176,5.864698827689442,5.956443324826704,2.1869286288161285,0.3869654611750097,0.0185647725956058,6.367619566593524,1.9300990656884205,3.912961479304645,0.2623091231765329,6.373726876476478,13.732381760482234,0.9754780032525642,13.99197850194464,0.9775514359402048,36.52970399801998,6.373726876476478,13.732381760482234,0.9754780032525642,13.99197850194464,0.9726912064019292,36.52970399801998,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0218,4.644787115143681,5.0413211058429575,5.482514879298611,5.957204014556639,6.453798384648081,6.961830777620661,7.472669578529528,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_10,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1356159018701625,0.4925706892252053,1.318241228055627,2.7085690609827338,4.1360194802430215,5.11000023686642,5.628211174801539,5.871629775818715,5.963112036186397,2.199625948119814,0.3871680485225815,0.0184939519068892,6.394673516440384,1.970226450045529,3.8953779733774736,0.2653398318839042,6.555953843709223,14.11529900854042,0.992478396598526,14.286233497037232,1.0229249714481967,36.82343843634989,6.555953843709223,14.11529900854042,0.992478396598526,14.286233497037232,1.017436822129001,36.82343843634989,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0218,4.639933367012352,5.037459465411995,5.479278586738188,5.954348464467663,6.45116471017011,6.959319290049339,7.470220628540629,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_11,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1356181879054346,0.4925635329757973,1.3181893557988007,2.708484863664143,4.135935705637793,5.109925199053701,5.628142261526083,5.871563984140838,5.963047451457467,2.199548162929089,0.3871658101132746,0.0184946235180826,6.394518189298761,1.970059310671077,3.895300560604929,0.2652794362360875,6.555893537756404,14.115180355283051,0.9924793091492202,14.286172231843608,1.0228951007566418,36.823808957776976,6.555893537756404,14.115180355283051,0.9924793091492202,14.286172231843608,1.0174067351133749,36.823808957776976,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0218,4.636993908287389,5.035421094983232,5.478015778203593,5.953742277631598,6.451106885385292,6.959713641522157,7.470983151109346,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_12,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0697022654968991,0.4050966365625786,1.3700132905460436,2.98352045108339,4.52380428870797,5.518701856650349,6.033417455291637,6.272144770118199,6.361392236190607,2.4056175921404286,0.2933210614629667,0.0047791577271517,7.3664110262438,2.468099172423538,4.607633346194622,0.5659402759709707,5.377375069877488,11.651782460258596,0.5901838180540984,6.949276524629536,0.8926411110339552,21.884618559894506,-1.3014621302906484,-2.5030994373239643,-0.2196462780916583,-6.949276524629536,-0.8926411110339552,-6.459434805206986,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0218,4.6344956631627765,5.029624479114333,5.468259818522798,5.9398243764364445,6.433157193350247,6.938078130148975,7.446128141826515,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_13,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0697131836285659,0.4051123018211631,1.3699718079676066,2.983369137346927,4.52358077088846,5.518446865019949,6.0331499513838605,6.271872230359058,6.361117931249042,2.405501998469028,0.2933383547072046,0.0047807282276072,7.365968852665301,2.467751514071786,4.607405866655178,0.5658524131557003,5.376391611493587,11.64960990276164,0.5900492804796574,6.947932614378351,0.8925452110962266,21.880838204190443,-1.3014050643785933,-2.5030062351040656,-0.2195959580146579,-6.947932614378351,-0.8925452110962266,-6.456745143110597,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0218,4.634589955937098,5.029703354882529,5.468325510072127,5.93987883661871,6.433202120075204,6.938114990540665,7.446158195455317,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_14,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0695078031265657,0.4067295959388493,1.3855743242399603,3.017492456685136,4.572057585758865,5.575928563707779,6.095349060801876,6.336282556812458,6.426359221424138,2.433677109665833,0.2938342818061235,0.0047533431655629,7.441188753935031,2.553422074928005,4.628694701418426,0.5866346542292016,5.599009270563161,12.13528196168489,0.6234581489087057,7.366227611448778,0.92001923989878,22.88021900220588,-1.431372170066182,-2.780717388739388,-0.2445820488635258,-7.366227611448778,-0.92001923989878,-7.501187919822226,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0218,4.640272013823897,5.033576582488916,5.470891078436977,5.941500411853425,6.434143836342188,6.938568819984901,7.446263737316252,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_15,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0696004983343097,0.4049870230296109,1.3691440927030565,2.980654180794863,4.519790330921172,5.514366161890708,6.0290308675237645,6.267759596826086,6.357011539240246,2.403397272654125,0.2931946612126257,0.0047646867657272,7.374169434500838,2.463343957653769,4.611240587459384,0.5642646620507935,5.378184002276599,11.65254976371562,0.5906335794133208,6.966617422243635,0.8937745176956684,21.909205257608445,-1.3190090177195597,-2.541436298151198,-0.2216176717263173,-6.966617422243635,-0.8937745176956684,-6.519588532278895,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0218,4.640434427764784,5.03374713257415,5.471063848280266,5.9416713189182815,6.434310159569683,6.938728832473084,7.446416425825927,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_16,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0696136643433832,0.4050250076722724,1.3692680610305397,2.9808932001465624,4.520084067810159,5.51467344312064,6.02933986948942,6.268068325219042,6.357320001410213,2.4036024797178626,0.2932249055580689,0.0047665028518487,7.374699809414924,2.4639191532181264,4.611471458035881,0.5644634612115271,5.379061297210117,11.654471753258251,0.5907615499313088,6.968119340113841,0.8938750765689544,21.9129578021234,-1.3193697769731498,-2.542198885794002,-0.2216986844552209,-6.968119340113841,-0.8938750765689544,-6.523150401405146,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0218,10.225863698900042,10.70506256766428,11.197982159244557,11.703156859721984,12.21628379341884,12.731914365170296,13.244532093296575,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_17,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0694156552023215,0.4074942825852286,1.394993727106257,3.0385371221933704,4.597472141776669,5.601591291543102,6.120536284140742,6.361129097530559,6.451060178635065,2.4514674513903376,0.2940646281840344,0.0047401915779443,7.502426318091602,2.603003101955422,4.660669437721039,0.6010910476208636,5.639593940760596,12.224904667452206,0.6280111014929807,7.403847370069824,0.9246190655097992,23.020584096089173,-1.4209834455863846,-2.755926602997675,-0.2445010564771433,-7.403847370069824,-0.9246190655097992,-7.517341432865167,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0218,10.203315435136156,10.68834412445822,11.185282673551711,11.693153330108766,12.208035455041006,12.724769767535877,13.23805246269198,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_18,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0693484858179145,0.4055330626216133,1.36745957962476,2.9675184694633905,4.501126117629214,5.495836406543164,6.011602469459086,6.251061083053867,6.34061998213692,2.3940593895248483,0.2933254880755025,0.0047277927159155,7.343831791322809,2.4445812299837373,4.585806933096381,0.559904955993481,5.253024053614727,11.378221239953556,0.5742603039853789,6.787843168474805,0.8784497192580994,21.40629029397836,-1.2939774080556132,-2.491853113330993,-0.2143469725709138,-6.787843168474805,-0.8784497192580994,-6.194964385491884,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0218,10.232034188038284,10.709352808663857,11.201006742165704,11.70536764418842,12.218004947944486,12.733371740233215,13.245877573340282,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_19,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.069353907099733,0.4055659511040024,1.367579062057176,2.9676903092311995,4.501287949933256,5.495974959998851,6.011725533571712,6.251176321012172,6.340732199799367,2.3942224430963948,0.2933472007294829,0.0047285045146894,7.34404487421582,2.445005666913717,4.585950643353544,0.5601002866271363,5.2538117409718,11.37992656110088,0.5743680019237615,6.78926175650362,0.8785694711431143,21.409862352142923,-1.2944665646846267,-2.492888360547863,-0.2144275313522002,-6.78926175650362,-0.8785694711431143,-6.197981312515736,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0218,10.218266245735304,10.698427710069044,11.191788212442557,11.697025051839296,12.209968761605762,12.725279440547002,13.237521260635736,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_20,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.069418762893982,0.4074856608072922,1.3948985774828326,3.038330494721064,4.5972145719779896,5.60131975536666,6.120261609937144,6.360853742104497,6.450784683163141,2.4512927842000485,0.2940626525493037,0.0047406844179623,7.501757721911244,2.602507591044375,4.660372588431831,0.6009891089723904,5.639222352916164,12.224067095055254,0.6279511885394085,7.403339406916949,0.9246089117469916,23.019270807728404,-1.4210556473327174,-2.7560851486128053,-0.2444814880318224,-7.403339406916949,-0.9246089117469916,-7.515872872264672,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0218,10.233062012106346,10.710244635381896,11.20178394585287,11.706046797875253,12.218599415771276,12.733892652862576,13.246334413590446,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_21,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0695766697518271,0.4062302051333496,1.3688066906507863,2.969591170770624,4.502278504849678,5.495519988059091,6.01028648446356,6.249230493443786,6.338589053517884,2.3960366119478427,0.2939246517106242,0.0047565546166379,7.3203365038609345,2.4433649426505752,4.5771580520847,0.5647275910963309,5.235513779312458,11.342393160150037,0.569380968426634,6.690570068381509,0.8747153837011022,21.25405305095708,-1.2237601273378402,-2.3377203243910443,-0.204676090974396,-6.690570068381509,-0.8747153837011022,-5.837944028078977,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0218,10.220169560907475,10.699926189206977,11.192974935992927,11.697968532589206,12.210720411980144,12.725878494552548,13.237998082680123,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_22,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0695674401830277,0.4061903159618264,1.368657681960909,2.969309040784863,4.501944077265967,5.4951825551673465,6.009955109897737,6.248903480423588,6.338263908732885,2.395792291736237,0.2938958648980547,0.0047553456023763,7.319716947828316,2.442684077668737,4.576888663709595,0.5645161060488894,5.23416820577945,11.33945935974528,0.5692054151181053,6.688504028561154,0.8745312609550152,21.248411472991087,-1.2232996787448,-2.336773251286768,-0.2045810035695008,-6.688504028561154,-0.8745312609550152,-5.834113181075129,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0218,10.226646599505887,10.705725722023669,11.198549673029872,11.703646574320834,12.216709315234011,12.732286331303111,13.244858985611703,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_23,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0694916087683709,0.406715008566746,1.3856278230815573,3.0176101630780208,4.572182949324167,5.576040758960515,6.095450446961165,6.336378161885157,6.426452550802437,2.433779766338507,0.2938139740778205,0.0047509904496609,7.441356290124789,2.5537626647665284,4.628744827800997,0.5867009393866314,5.599817930891103,12.137074727493363,0.623545355257945,7.366844110023965,0.9201043552715572,22.882849072153817,-1.4310293082749077,-2.779925479404218,-0.2445645713837453,-7.366844110023965,-0.9201043552715572,-7.500998360305336,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0218,10.20356114164622,10.688545733645237,11.18546755479188,11.693339839044366,12.20823485840421,12.724988054887634,13.238291899754044,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_24,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0051935276330786,0.2429104217572527,1.5061731773448426,3.806168669375804,5.936917460454932,7.258179141153816,7.924653498574799,8.22993156227282,8.343446688228964,2.9844145927209,0.133628811948304,5.12962516624455e-06,11.026527112444809,4.4474126866964845,6.129227539604097,0.6388344858651376,22.184274280473726,49.77524864353579,2.0263248972105323,4.184274280473727,1.7573571274589397,56.92137140236862,-22.184274280473726,-49.77524864353579,-2.0263248972105323,3.605126541842013,1.7573571274589397,-56.92137140236862,-22.0,-49.3806,-2.0,4.0,1.79,-56.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM0218,10.182716103488245,10.664228437518757,11.158998265638578,11.665745381620107,12.180282934284897,12.697233589307368,13.211122702674992,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0218_25,RSM0218.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0051556331348507,0.2424891037704648,1.5099976153166228,3.819619033028535,5.956961945544779,7.28120063245369,7.948894323466908,8.254672630872916,8.368364784236991,2.994677117791132,0.1332364776233179,5.053593771029906e-06,11.116605577604933,4.479005242005334,6.173697546679022,0.641938245002946,22.19750768653247,49.80358979747773,2.028215383790353,4.197507686532472,1.755012924099962,56.98753843266236,-22.19750768653247,-49.80358979747773,-2.028215383790353,3.576769243144704,1.755012924099962,-56.98753843266236,-22.0,-49.3806,-2.0,4.0,1.79,-56.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM0218,10.182412000187506,10.663939341321134,11.158728615829473,11.665498100668518,12.180059516373529,12.697034342214485,13.21094703871332,[O-]C=O.[Zn]pcu.cat0,"linker [O-]C=O, nodes [Zn], topology pcu"
RSM0317_0,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0067934201578423,0.2157921972943774,1.1854892010838944,3.118007357605421,5.155088805594017,6.523471150507016,7.241260954926822,7.575875714946836,7.701210082414965,2.3944256467422007,0.1258165213669395,1.4387120780855772e-05,9.326930339901692,2.81037478887138,6.093598407534444,0.4577002286754562,20.132741282786323,45.30532723816086,2.10964975667363,6.744456770602719,1.2778961899808143,62.011776553222525,-20.132741282786323,-45.30532723816086,-2.10964975667363,4.990060663824635,1.2778961899808143,-62.011776553222525,-19.0,-42.933795,-2.0,7.0,1.56,-50.0,-26.0,-57.925255,-3.0,-8.0,0.3200000000000003,-95.0,RSM0317,19.477378871991064,19.94321055426749,20.314584860138435,20.61478661146436,20.860520810538656,21.06396440405585,21.234131707761907,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_1,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0067470069402024,0.2151315448802357,1.1833728084925237,3.114360463685589,5.150915713945904,6.519331122605055,7.2372298032592655,7.5719138333863185,7.697276982954008,2.3912003339046644,0.1253657887078909,1.417036019527589e-05,9.315573989377198,2.802143645491625,6.090159782450795,0.4564708738504756,20.12911015262984,45.29768327359541,2.109259045323064,6.744962209954673,1.2787628998903764,62.00258240946529,-20.12911015262984,-45.29768327359541,-2.109259045323064,4.996817484785639,1.2787628998903764,-62.00258240946529,-19.0,-42.933795,-2.0,7.0,1.56,-50.0,-26.0,-57.925255,-3.0,-8.0,0.3200000000000003,-95.0,RSM0317,19.40520862580424,19.88182484703874,20.26186810200958,20.569106070923382,20.820608413268207,21.02882682328177,21.20298344534195,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_2,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430532443618729,0.50830391154712,1.477007194918334,3.327902073890176,5.337630244462483,6.731773192933488,7.476652327676889,7.826938371385986,7.958628130577398,2.63155485162578,0.3979911021361991,0.0206935290151055,11.214705995935056,2.959144546568884,7.259808995080117,0.3914211692709098,1.7991546491321149,3.9471469235543086,0.3481112322408055,4.584044507058559,0.1505521903690447,15.372013011195808,1.7991546491321149,3.9471469235543086,0.3481112322408055,4.584044507058559,0.1505521903690447,15.372013011195808,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0317,4.762429327752318,5.491302658616501,6.199143880368897,6.879305685964909,7.527698938059472,8.142204903828143,8.722244475919434,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_3,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416439024766857,0.4907153050761972,1.4191983946237354,3.1526236062032726,4.923106403933757,6.099914213437073,6.715454920670239,7.002173385236027,7.109540919435953,2.512915935913495,0.3867249330301323,0.0204169462595252,10.178243954001006,2.562048379749198,6.719009171634201,0.414182905151965,4.062939414406294,8.838014005609434,0.7114582294148253,9.73634344070654,0.4790752722625792,29.49390106165572,4.062939414406294,8.838014005609434,0.7114582294148253,9.73634344070654,0.4787969970775376,29.49390106165572,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0317,3.760119618055765,4.479159902275288,5.20576910376687,5.923538159571124,6.620718494250638,7.2896326895368,7.925893949296729,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_4,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438987029918577,0.5618664520668976,1.908357034998862,4.45823530250378,7.008135866743447,8.673040362574966,9.535363239634991,9.93517062582229,10.084592241240852,3.5226105064936486,0.4252891617684107,0.0206470923790025,17.69130038747342,6.075303060948912,10.595125560450882,1.0631403767947698,4.119202928821767,9.008610859736445,0.6986220995098583,8.6786416566877,0.3897551944201313,28.67522448880015,4.119202928821767,9.008610859736445,0.6986220995098583,8.6786416566877,0.374066995285458,28.67522448880015,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0317,3.489748654038656,4.188728095722941,4.897545865990556,5.6007703095572605,6.287093969057249,6.948868648310401,7.581462950478542,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_5,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1461270070886561,0.5203629386531238,1.6082499044301402,3.8039125224539214,6.118619056635234,7.665615514423401,8.474564895426445,8.85111497452263,8.992068102660458,2.979630302467493,0.4056589495840703,0.0215600252897055,14.068191140402254,3.972702091684608,9.040584298691773,0.5965368671862072,2.659965017243976,5.825755161723394,0.504971828488031,6.699739645148226,0.2429420186246827,22.048202907942297,2.659965017243976,5.825755161723394,0.504971828488031,6.699739645148226,0.2429420186246827,22.048202907942297,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0317,4.445439395860573,5.178980776776468,5.897479833547742,6.592119443376577,7.257128036691901,7.889128357882062,8.486628739154254,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_6,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1427839467591007,0.4856564069839723,1.4855441460452157,3.694504436647769,6.146370998757905,7.820950337221976,8.704253461947301,9.116872706405305,9.27154499233925,2.846079062983188,0.3840493527743785,0.0207986885625718,15.180287443020047,3.7835280762446826,9.833821535776194,0.4353810975348116,5.355497533148919,11.78478606787425,0.9373379487410316,10.91455922547085,0.3676314385664597,39.52889799527272,5.355497533148919,11.78478606787425,0.9373379487410316,10.91455922547085,0.3380749906029348,39.52889799527272,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0317,3.5068783017623866,4.230365063774793,4.966069818464704,5.695808840962527,6.406550645066557,7.089713367159752,7.740283401043592,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_7,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1457869065752258,0.5440850987519746,1.857715882356085,4.602222809499807,7.491118497597831,9.413180392631888,10.41544900356372,10.88134436846497,11.055638790686396,3.5706024218832497,0.4169136252638817,0.0212926953906679,21.24319813396911,6.448104902892787,12.953694207799968,0.8454053641779363,3.4246683846456447,7.50291186077036,0.6524245815417618,8.644065036979738,0.3079958872386664,28.546378784695086,3.4246683846456447,7.50291186077036,0.6524245815417618,8.644065036979738,0.3079958872386664,28.546378784695086,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0317,3.896027694326405,4.666029551672422,5.429872554178963,6.173126305204539,6.886297466219411,7.563788281115546,8.202954056710949,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_8,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437717644165541,0.4845821146524291,1.3849480504261975,3.241750805399447,5.255749106277502,6.622316179987109,7.341772018099499,7.677638402054666,7.803510749572884,2.5369510293879447,0.3853628311879378,0.0210518512353774,10.87751495942783,2.838652903330157,7.079801647836305,0.307431186150924,3.396613939309712,7.410634742355566,0.6012344867723254,7.972714954642647,0.3566044138748815,25.18683540567338,3.396613939309712,7.410634742355566,0.6012344867723254,7.972714954642647,0.353042130006757,25.18683540567338,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0317,3.653832460794297,4.401203929072474,5.152306839045458,5.890645675212786,6.604790130060204,7.287505859230799,7.934844431380312,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_9,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430156862971677,0.4836781846312245,1.3889573040069727,3.2769470054166865,5.36241912994641,6.793317185483426,7.550707948347122,7.905140542377492,8.038104623394567,2.5557312903759737,0.3840503679789618,0.020856805058147,10.843271075468529,2.636964321096481,7.417882318628084,0.6033303945572498,4.31993344101445,9.440881496387918,0.7112766626119268,8.716435091373658,0.4242957811818476,28.65173905295413,4.31993344101445,9.440881496387918,0.7112766626119268,8.716435091373658,0.4045820798403434,28.65173905295413,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0317,3.6918931348934354,4.402608166926775,5.126153875204219,5.844558783665238,6.5448341690396585,7.218362456600798,7.860064042638546,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_10,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.142146868486918,0.4626568048396167,1.2087120911098228,2.8223579323961863,4.713993758977647,6.056908427305206,6.779223438112256,7.119641868639147,7.24772077931781,2.1923643566959803,0.3738246333862616,0.0206457064108489,9.538974983604987,1.812367184724629,6.63646991849729,0.1581498224101659,2.731070846602845,6.000986067285106,0.537534375088805,7.031345847313284,0.2094025271489036,23.97205202320212,2.731070846602845,6.000986067285106,0.537534375088805,7.031345847313284,0.2094025271489036,23.97205202320212,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0317,4.151869247008184,4.90850993656845,5.66265706348224,6.398563471458214,7.105731785189819,7.777909491144013,8.412082303045175,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_11,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430419791178321,0.5085824312085789,1.4776351284111462,3.327426039198274,5.335508849890372,6.728546796781909,7.472863562093541,7.822892388531702,7.954486651783417,2.631602421393857,0.3981561153428494,0.0206868713373692,11.208356785988936,2.9583821827407,7.257434356961692,0.3926442360267333,1.7998711610567044,3.948738411210933,0.3482689719403879,4.586022936579808,0.1505720278429703,15.379472230543636,1.7998711610567044,3.948738411210933,0.3482689719403879,4.586022936579808,0.1505720278429703,15.379472230543636,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0317,4.775681735714208,5.504215621565522,6.211493805962852,6.890974268734406,7.53863748738361,8.152408666965897,8.731735092714752,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_12,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416681819079025,0.4911135419439904,1.4210487357089654,3.1548904827902886,4.924305718763137,6.0999411999692175,6.714760295605361,7.001120545038311,7.108350538182451,2.515264771764851,0.3869438301444974,0.0204228236028679,10.179858795319744,2.567240611836913,6.71776145252154,0.4160712077588234,4.05523033339525,8.821791917938686,0.7107864567246577,9.725436680268569,0.4771823026467848,29.484645056222632,4.05523033339525,8.821791917938686,0.7107864567246577,9.725436680268569,0.4769371932079437,29.484645056222632,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0317,3.762072055658996,4.481743544000056,5.208859092011227,5.927025722722019,6.624507730601607,7.293639623966268,7.930046183795051,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_13,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438566854005025,0.5612077472688703,1.9054487747262607,4.453190408943673,7.002176988684559,8.66677456198743,9.528988459157157,9.928753528576316,10.078160454712044,3.5181404869636035,0.4248920336897157,0.0206412321677511,17.663196595348325,6.058698466772127,10.582113974164422,1.0590953044493263,4.102550117630727,8.971591732012511,0.6964415634301597,8.666520576597865,0.3893587937650391,28.598002440698306,4.102550117630727,8.971591732012511,0.6964415634301597,8.666520576597865,0.3740054673120999,28.598002440698306,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0317,3.4899471694774142,4.189340877133976,4.898623148000143,5.602316202299267,6.289080200316654,6.9512472475858935,7.584176256538803,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_14,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1460597063747065,0.5206194648279666,1.609254645770934,3.80422752160764,6.117500144986436,7.6635389222084305,8.472018349409563,8.848358814409941,8.989235070489963,2.9803602726482783,0.4057730793462919,0.0215366057952599,14.064040272879875,3.9745024989232607,9.038054111317413,0.5982564023412708,2.658810384607027,5.823169540628508,0.5046971068020679,6.6963872390235695,0.2429531641731002,22.03474555310962,2.658810384607027,5.823169540628508,0.5046971068020679,6.6963872390235695,0.2429531641731002,22.03474555310962,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0317,4.444975339844965,5.178325740707494,5.896649514230099,6.591140877239864,7.256031380256684,7.887942657434274,8.485379946102766,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_15,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1427178495826291,0.485508205636632,1.4849559942069763,3.693435150687432,6.145262725443999,7.820026557170073,8.703486190068427,9.11619159242492,9.270898249745125,2.845129994911304,0.3839352788764644,0.0207795561771192,15.178234805444712,3.781500746540589,9.833162045132887,0.4348141868863637,5.357775959167662,11.7900608574813,0.9374301921736268,10.908609676080154,0.3672644972884978,39.52716502077147,5.357775959167662,11.7900608574813,0.9374301921736268,10.908609676080154,0.3375714257383791,39.52716502077147,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0317,3.507083709362735,4.230500629638705,4.96615144793074,5.695852375864342,6.406569235807287,7.089716891209379,7.740278742824684,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_16,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1457648557242001,0.5437794985486791,1.856542832830571,4.600353671049158,7.489115467173069,9.41120143793714,10.413498054235331,10.879408575962962,11.053708933810627,3.568888589153989,0.4167135601703575,0.0212913123401127,21.23207204865605,6.44197271355142,12.94942133767966,0.8449387793220958,3.426366860094765,7.506634282077359,0.6527494518051196,8.648362474535721,0.3081459126556843,28.56062732588453,3.426366860094765,7.506634282077359,0.6527494518051196,8.648362474535721,0.3081459126556843,28.56062732588453,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0317,3.899149175343831,4.669344387516605,5.433292884241368,6.17658365027006,6.889739553971498,7.567176148220287,8.206259467085168,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_17,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437399893814676,0.4843362790355656,1.3833752981574827,3.2383914660156528,5.2512413916490095,6.617251851255175,7.33646152021763,7.672221950985842,7.798055930102024,2.534147423140111,0.3852248808776722,0.0210430024295128,10.869664671793515,2.8329907156111203,7.074449736079412,0.305209414782601,3.3992364002966653,7.41625747585041,0.6016680144950756,7.979574165120854,0.3570661051126959,25.20379556714926,3.3992364002966653,7.41625747585041,0.6016680144950756,7.979574165120854,0.3535155321429982,25.20379556714926,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0317,3.6568960582916334,4.404007348652443,5.1548558963637525,5.892953734073171,6.606875133880558,7.289387858481622,7.936543837243155,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_18,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430492584164657,0.4838941997959673,1.389896580582322,3.279515541108038,5.366651830298339,6.7984874050706905,7.556303075666251,7.91091790649238,8.043947668169766,2.5576681564067103,0.3841876631763307,0.02086592552367,10.858055310719417,2.6434302463564343,7.425019492386194,0.604872030754404,4.344884684432739,9.496117345739684,0.7144280442495853,8.735225560312232,0.4252880810532001,28.75878377463485,4.344884684432739,9.496117345739684,0.7144280442495853,8.735225560312232,0.4050963328152238,28.75878377463485,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0317,3.69463122493854,4.404864483283524,5.12801375427557,5.846092081499186,6.546097773486034,7.219402692614417,7.860918720690904,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_19,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.142156759791681,0.4626251820791474,1.207805247589164,2.819194261989213,4.708503540697558,6.0499408731709305,6.771515160279366,7.111597019508352,7.239551338659346,2.190050605652388,0.3738233320879788,0.0206485801682209,9.522122976654412,1.81029420585967,6.6219047559388375,0.1561756615799462,2.7230377080430985,5.98335411912615,0.5359721282335295,7.010814733911335,0.2087470076507066,23.90286043613156,2.7230377080430985,5.98335411912615,0.5359721282335295,7.010814733911335,0.2087470076507066,23.90286043613156,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0317,4.152590627116423,4.908955547593294,5.662820588547018,6.398459025024053,7.105385712636512,7.777354012037507,8.411351124072834,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_20,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1118133111819475,0.7563736844891449,2.349446014055496,4.810424867954866,7.113995347339936,8.590299884561349,9.350874348058486,9.70290711317878,9.834396424117871,3.938211748642324,0.5488838229481092,0.0043379236485598,18.119349884437227,7.651633766764213,10.73422804991202,1.96484613283867,1.4435473941642982,3.121820357057856,0.2351477945030269,3.3247297501885136,0.2135278546841495,11.920692860882031,-0.9079305508659712,-2.0527291378343944,-0.2351477945030269,-2.7891129068901868,0.0489243985320308,-11.920692860882031,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,7.262433003782148,8.121956105477203,8.95799168531011,9.76759984886789,10.54829128298385,11.297873691168638,12.014539782167503,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_21,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2148486243351582,0.8904945624460191,2.193411114784781,4.244986345406658,6.271404953240632,7.605288027645667,8.300135090512459,8.623209484714396,8.744100496447084,3.502115051528979,0.6995531120339709,0.0235021943640312,14.026858670027616,6.123889052963478,8.38639858036159,1.7373315386265331,2.460367820817785,5.41416732883622,0.492073564163557,6.396956334126241,0.1722257474572447,22.143310387360064,-2.460367820817785,-5.41416732883622,-0.492073564163557,-6.396956334126241,-0.1722257474572447,-22.143310387360064,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,9.943120415926836,10.732626624099732,11.492476703655148,12.219428289057976,12.91108454776515,13.565958393826945,14.183424723333989,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_22,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1125478912689551,0.7588325401697562,2.2837194081369843,4.470599789246176,6.434657746848028,7.674494549362383,8.309942178700245,8.603501649181258,8.713072151651485,3.710594435631172,0.5516258729847084,0.0044143522274207,14.618496225329991,6.593434779412679,8.91343652567838,1.8962422262271053,1.5303216971259055,3.321227292035818,0.2607700580512638,3.616482161536017,0.2022405096840395,12.867009646654804,-1.0773788833867337,-2.4171534358124305,-0.2607700580512638,-3.1635393477968443,0.0197014690481549,-12.867009646654804,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,7.246915749170597,8.095819669724996,8.924717025796156,9.729262654860714,10.506185768077264,11.25287641992488,11.967307432386333,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_23,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171537542021916,0.8955862941704489,2.157234728998028,4.047479328174441,5.863977362102142,7.046276067360788,7.659374229263008,7.943906335388556,8.050295574721712,3.3715902326474665,0.7051059159076459,0.0235077239106102,12.541798617418532,5.64035592263421,7.54617023404739,1.6872161629230171,2.3388497019518537,5.1430559106634615,0.4641478993777245,6.0520328969736505,0.1713257652631866,20.97720649731376,-2.3026292918253914,-5.070759972051043,-0.4641478993777245,-6.015812486847189,-0.1535777643012202,-20.97720649731376,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,9.47523544730664,10.25952384009133,11.016491810043826,11.743002312866157,12.43661661429596,13.095700993744911,13.719410479196272,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_24,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005481913726657,0.7319166225073728,2.235798248560262,4.28543565549443,6.098846162342682,7.2516130091140125,7.846529536181687,8.122390503731715,8.225524804205007,3.581480208094118,0.5253095113155398,0.0035160027001604,13.12189154186092,6.222875054305841,7.739754463857343,1.7956941960912356,1.2013522782898254,2.6319048430680145,0.2288886169228627,3.032461213672728,0.1054758051193418,10.584533729906385,-1.087533890938802,-2.4049081944003805,-0.2288886169228627,-2.918642826321704,-0.0547462267266619,-10.584533729906385,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,7.744034467412077,8.562743570257876,9.3651711766145,10.148346595922424,10.908666091299702,11.64251411893366,12.34674314666808,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_25,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175274338217535,0.9088741957806764,2.3500485601647703,4.714608216793038,7.038169378900423,8.55347269887027,9.338513355317565,9.702568407058331,9.838642260509426,3.8573961847249847,0.7105458645400015,0.0236791693151062,17.085804683477154,7.602287803332999,9.90623731547478,1.9410186054352745,2.245142224058435,4.940552211436237,0.4490284448116869,5.837369782551931,0.1571599556840902,20.20628001652592,-2.245142224058435,-4.940552211436237,-0.4490284448116869,-5.837369782551931,-0.1571599556840902,-20.20628001652592,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,8.920475374384287,9.773039596705368,10.590762088459536,11.370943380070218,12.11171008084275,12.812049780302976,13.47174683596206,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_26,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2379794842135167,0.970848165976533,2.374071121485114,4.558438703276581,6.733829797648536,8.181203078535468,8.93995737306421,9.293818887334902,9.426401211119416,3.7669894716143455,0.7638254835547551,0.0260904432793595,15.478239585438908,7.2869501604380735,8.686474666825465,2.042499667539872,3.01682018461879,6.5390622247323815,0.505973186508345,7.064605676685551,0.4156981987956827,25.203564653260848,-2.0429116804646594,-4.595140850440735,-0.505973186508345,-6.090697172531419,0.0615169682398415,-25.203564653260848,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,9.12023324537103,9.85385089408222,10.574554161573513,11.278364878433573,11.960987268588593,12.618537733797544,13.247939085941988,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_27,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2259337653579048,0.9560621437456388,2.3818562677475383,4.638271761646405,6.9522069751018645,8.51489826075947,9.338921030789136,9.724105378273917,9.868551976797804,3.811702889786041,0.7461020878895259,0.0244259332091293,16.431162802843218,7.734972669609691,9.210912852201837,2.0360446362366087,2.665285105689637,5.814412228292703,0.4835084190578318,6.533352458152292,0.2903516579646323,22.99659390960482,-2.169799084888681,-4.825441957452796,-0.4835084190578318,-6.037866437351336,-0.0481042353758495,-22.99659390960482,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,9.167384382826564,9.92210037574413,10.661420500992609,11.38063331021428,12.07518976658694,12.741324291435312,13.376302950607824,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_28,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2264325727954999,0.9643063777632228,2.5583727655943487,5.170286868896578,7.758198619010533,9.458694784825347,10.3431640851502,10.7540648768259,10.907762952054622,4.221742919954184,0.7480828792372969,0.0248267391269525,20.49780238555496,9.373345758557246,11.38111490385173,2.320742581170953,2.6724090556289206,5.8331200085891,0.4878872204170817,6.575506818965574,0.2849172743822992,23.11978968648624,-2.206463148541897,-4.903091978043401,-0.4878872204170817,-6.109560911878551,-0.0566037799096576,-23.11978968648624,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,9.104962211128422,9.893817580917212,10.656220258978587,11.39031966757333,12.093909942439398,12.765021826482384,13.40224308873747,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_29,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2375803696325276,0.9612396421302624,2.267284276095945,4.25511861747238,6.209413044939524,7.491362934276155,8.157495542215415,8.466813552309922,8.582490145826709,3.537062067014299,0.7600131933660347,0.0257173227993706,12.961841875291698,6.386219768093145,7.23844193388672,1.8936939978230027,2.909688386782435,6.297707483186192,0.4790659227662898,6.742215768912755,0.4197088717141847,24.129760389237976,-1.8809708408804624,-4.244387261565854,-0.4790659227662898,-5.713498223010781,0.0843627257777822,-24.129760389237976,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,8.78089539809111,9.523158589716417,10.254517298227688,10.970420270929868,11.66600483657206,12.33691665117188,12.979720000770197,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_30,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2261568830743903,0.942143488549098,2.189651295395314,3.938467903206501,5.686361703965623,6.873994495460555,7.50441391454197,7.8001617565951324,7.911245913754634,3.310107462293716,0.7403297000831921,0.0244897037831739,10.763496882806404,5.565283365480652,6.292538626129231,1.7858648655381033,2.656037896478321,5.791881433801933,0.4795331522231561,6.49230311426357,0.2939607404271001,22.870852526854723,-2.13929362575324,-4.760494938107772,-0.4795331522231561,-5.975558843538489,-0.0417124661291088,-22.870852526854723,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,9.35593751119367,10.051335244130158,10.744696821739932,11.428791999325233,12.096843168129112,12.743215034606855,13.363654337571868,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_31,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2246274394493898,0.940593252424132,2.225003410208396,3.982558242835548,5.653330161418507,6.75903969493378,7.33967269907292,7.610878134793999,7.712568925354819,3.3627929973849926,0.7373862539148976,0.0242190863480394,11.102003287602573,5.77803897708533,6.346090276505206,1.8564733258557249,2.745306878459955,5.989299220852073,0.4983248185752308,6.731905427061802,0.298718251437393,23.6930307638044,-2.237941307292353,-4.97659754080154,-0.4983248185752308,-6.224539855894201,-0.0501091215652681,-23.6930307638044,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,9.488677194668004,10.20886303213233,10.917842719599724,11.610311983170003,12.281259994062877,12.926542826081782,13.543102650006766,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_32,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1524056356205622,0.7762297706619669,1.8715465485242508,3.4169857625933284,4.948725408440686,5.984352847105219,6.533209980736906,6.790564383061501,6.887211297124332,2.8628967811951145,0.5987364375177993,0.0088566063301798,8.34216072854141,4.060097240821565,4.988630492913013,1.2485410555301402,1.996434160028733,4.142620026670813,0.1545816200468696,3.2152954422916435,0.5958344131654735,13.02098415668592,0.4617377583800658,0.7654407906300345,-0.1523576602828638,-0.7804751014049057,0.4876606385291249,-12.965385162585775,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0317,6.83464731973375,7.689111926278369,8.531788835454947,9.356359756148148,10.157474206928107,10.930672793398514,11.67244340675098,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_33,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.111681924987527,0.755950161146891,2.3484740919805587,4.80807713406089,7.110081794630603,8.5853351906541,9.345362881547878,9.69714208395531,9.828536648996735,3.936405333457743,0.5485283258459994,0.0043278084687715,18.104147308586995,7.644376554349781,10.726394912875394,1.9631081272987685,1.4425365563396964,3.119570893691723,0.2349211224898208,3.3219055362582632,0.2135085553778274,11.911105231494895,-0.9066746685585118,-2.049990565680478,-0.2349211224898208,-2.7860436484770785,0.049063769634953,-11.911105231494895,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,7.286248565431567,8.144714337644956,8.979746070003547,9.788425964954389,10.568262270168614,11.317050992336677,12.032971745636893,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_34,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2148059469682737,0.8903926439831633,2.192843393851631,4.243096762027663,6.268160233667053,7.601174843817499,8.295576290698525,8.618444792627628,8.739258950037506,3.500725347923382,0.6994688994269612,0.0234940358923175,14.019001896281544,6.116848573834215,8.384407222799318,1.7364371495813622,2.45944425672762,5.412134978030478,0.491888851345524,6.394555067491812,0.1721610979709332,22.13499831054857,-2.45944425672762,-5.412134978030478,-0.491888851345524,-6.394555067491812,-0.1721610979709332,-22.13499831054857,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,9.947407678893178,10.73706297335857,11.49704899844867,12.224116148863256,12.915861966542924,13.570796190463874,14.188292907669258,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_35,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1125474826973114,0.7588017237765984,2.283279086171578,4.469007008218489,6.431635820426241,7.670369145433322,8.305188156509406,8.598442661937977,8.707896977242871,3.709456098223028,0.5516120140002704,0.0044147017154796,14.61087901931628,6.58811394629802,8.910923494341162,1.8953997804256093,1.5293089034800942,3.319045577668762,0.2606134443295533,3.614216458116521,0.2020731296131842,12.858813403991537,-1.076825539815439,-2.41588878379411,-0.2606134443295533,-3.161733094451866,0.019643718582497,-12.858813403991537,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,7.253535524605064,8.102372775745103,8.931224861218947,9.73574125238454,10.512640807191344,11.25930349077878,11.973694527101632,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_36,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171637864234344,0.8956420574243721,2.1577862369071736,4.047992931816301,5.863417853783134,7.044684515471412,7.657177931752918,7.941416458444165,8.047694030485495,3.372270563482655,0.7051284002519133,0.0235131825133993,12.539182988180768,5.641215655878116,7.543778540378205,1.6880686130395095,2.3386478413154506,5.142636666111782,0.4641319320721791,6.051703297892884,0.1712603848929943,20.97587784802084,-2.302671479406341,-5.070827847741199,-0.4641319320721791,-6.015726935983774,-0.1536319675575306,-20.97587784802084,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,9.462182624719004,10.24872176866412,11.007424100842648,11.73529358080228,12.42998854205647,13.0899438788188,13.714364134622397,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_37,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1004095381920125,0.7313668860394378,2.234497921391097,4.282607769671544,6.09384437618089,7.244874874931147,7.838806309702046,8.114192226320418,8.217146115289522,3.5792852243261155,0.5248732953136276,0.0035063369575974,13.103848995555834,6.21324423328862,7.731030309370261,1.7937785514628752,1.202524735283802,2.635412686563627,0.2300244233813212,3.042720122334372,0.1038277133613144,10.613112144045434,-1.0977194985294108,-2.4263943626425064,-0.2300244233813212,-2.937914885579981,-0.0571893830056103,-10.613112144045434,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,7.730341551477312,8.55128829209832,9.355684165181604,10.14059493460129,10.902439832840866,11.637620704817214,12.343005771433916,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_38,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173814180758714,0.9083347052786136,2.3480862813941124,4.709970222181027,7.031264590882044,8.545328154233001,9.32979648722102,9.693601494446508,9.82958431846931,3.853701188731686,0.7101332120003908,0.0236635512442576,17.055035480751876,7.587579671873414,9.891241091854738,1.9376081194540924,2.2450171083560124,4.940276887827038,0.4490034216712024,5.837044481725631,0.1571511975849207,20.205153975204105,-2.2450171083560124,-4.940276887827038,-0.4490034216712024,-5.837044481725631,-0.1571511975849207,-20.205153975204105,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,8.936453283148442,9.789332662651466,10.607288021235242,11.387614607574594,12.128435800050903,12.828740112061556,13.488316975352811,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_39,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2378702010811131,0.9707597872232752,2.374426560859923,4.5584802301257135,6.732623782978649,8.178929861102908,8.937085456158124,9.2906616649652,9.423136290137544,3.767294335024516,0.763696748705451,0.0260639907435788,15.474023303600315,7.289000616058683,8.682521501445969,2.042963921995112,3.0166095330423053,6.538609993603379,0.5059421229329829,7.064146516506169,0.4156602130314654,25.201890123871184,-2.042811696287524,-4.594909511440834,-0.5059421229329829,-6.090348679751387,0.0615007269783777,-25.201890123871184,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,9.110933475546643,9.846208045430307,10.568322676966918,11.273347659448769,11.957016011265752,12.61546446991428,13.245632649081935,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_40,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2258947279500271,0.9560592043433224,2.381644546072144,4.637393519923869,6.950855915706397,8.513315885740635,9.337231635107663,9.722368110307023,9.866797019839057,3.811050921017732,0.7460884688859536,0.0244090442803158,16.427261069389036,7.732908658849638,9.208099253885717,2.035449072270126,2.664100137194453,5.811664814250419,0.4831359610280424,6.529187825418793,0.2905182284095661,22.983219906533115,-2.167259473085972,-4.819993238871392,-0.4831359610280424,-6.032347161310312,-0.0476769443100633,-22.983219906533115,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,9.169837579770668,9.92405795429372,10.662883654825803,11.381641802353586,12.07580067310296,12.741599349924275,13.376301576324751,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_41,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2264306337081373,0.9641702003405954,2.5574105180963977,5.168289099629796,7.755618389942662,9.455929223303544,10.340359185647042,10.751254493741868,10.904952567935853,4.220061305172629,0.748018791573524,0.0248257177411631,20.48628819820449,9.366429873159396,11.376483949937564,2.3195753205501224,2.672827480590369,5.834081558101713,0.4880107814573662,6.576913732249299,0.2848628244288115,23.124353032099165,-2.2072803339832934,-4.9048494534739895,-0.4880107814573662,-6.111366585642224,-0.0567447225913445,-23.124353032099165,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,9.102632848501864,9.89170946074278,10.654228389940045,11.388386413022976,12.092006737385477,12.76313734782333,13.400375719794452,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_42,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2375385709328152,0.9611902490949226,2.2671360476468987,4.254688970629208,6.208987265443747,7.491084191859843,8.157329666648524,8.466707509824191,8.58240761430043,3.536707805472932,0.7599590944831399,0.0257073143005822,12.959641550098144,6.385937801563891,7.236140588812411,1.893329430837247,2.9101682150652484,6.298789745981613,0.4791876771787883,6.743669632495555,0.4196883033065161,24.134594618902003,-1.8817085567226348,-4.245984267929757,-0.4791876771787883,-5.715209974152941,0.0842569292813645,-24.134594618902003,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,8.788937593328994,9.529924203714362,10.260207745774157,10.97521258472875,11.670050573428496,12.340343316369315,12.982633621354411,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_43,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2261893189538425,0.942180547300622,2.189865079396532,3.9402654805569455,5.690425824672863,6.879608113848456,7.51081772365329,7.806926305577022,7.918144202616232,3.3111938654189297,0.7403709985082518,0.0244989143468113,10.777173321585565,5.569124420042277,6.299796686684197,1.7861321726704211,2.6558244116515715,5.791236093338312,0.479320211894878,6.490386106810597,0.2942640921164711,22.865526296155423,-2.1373777072972096,-4.756454415918666,-0.479320211894878,-5.971939402456235,-0.0412600562099431,-22.865526296155423,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,9.370896842072266,10.064581024502344,10.7564250171527,11.439176370128411,12.106039426749042,12.751363136653035,13.37087981538192,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_44,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2246327252567263,0.9405786064384236,2.2250271803887296,3.9828575692554713,5.653582023540371,6.759043531561139,7.339486913134037,7.610591387611463,7.71224241223681,3.3630121148293384,0.7373807873936824,0.0242215585372107,11.1025794248117,5.780092793347008,6.344489944062121,1.856491375964404,2.7459836885437223,5.99078569241059,0.498457360551175,6.733642572953123,0.2987715502289561,23.69906565374211,-2.2385899169680283,-4.978027724345505,-0.498457360551175,-6.226248801377429,-0.0501486021568661,-23.69906565374211,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0317,9.49025930684106,10.210272454674406,10.919037159927468,11.611273626894867,12.281988629666364,12.927049933350329,13.543406730319878,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_45,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1524239365780781,0.776094388244016,1.8697478286932057,3.4119480340493475,4.941478228150451,5.976243124845965,6.52482176896931,6.782084188741134,6.878702623451023,2.858945015367804,0.5986897969549079,0.0088611081307108,8.321584414805907,4.046016892095477,4.983884833200903,1.2464860134464886,1.991681740181516,4.1321450922643415,0.1534551925730284,3.1997655849873663,0.5955598366904551,12.96945064302609,0.4693533743127167,0.7821823620950237,-0.1510104806007313,-0.7643999462022542,0.4881778725689198,-12.90833284371866,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0317,6.827126980149333,7.686323393702122,8.532533826209592,9.359721933645927,10.162748468307868,10.937315887729874,11.680037554751186,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_46,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1190309831224302,0.8104652696836955,2.5295064508035785,5.065662953737396,7.396709888357803,8.889170054480106,9.65924776027814,10.016051788248816,10.149388854854186,4.176639054224821,0.5845995264666305,0.0048929056278055,19.30785956663053,8.706213388808798,10.866797608389696,2.2054839416848546,2.495677139342709,5.287315320334877,0.2991354278685417,4.888760562291043,0.5946973997539897,15.46973997539896,-2.495677139342709,-5.287315320334877,-0.2991354278685417,-4.888760562291043,-0.5946973997539897,-8.461094254084378,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0317,8.488571365650273,9.268737367236662,10.03369440826854,10.781331948983594,11.508162307838012,12.21040492934013,12.884686528932662,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_47,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.092484852263532,0.6391759850245404,2.088899528211752,4.341489786273921,6.539422486302248,8.001092134188339,8.769179503716662,9.127945882378922,9.262462059844038,3.534934058764417,0.4557248363059605,0.0042876916653696,14.932148080020347,6.153633733262561,8.46376293881385,1.261404402381649,7.050046830531181,15.576000910446012,0.7908000382724595,6.33093026836711,0.7489830770033014,27.892947987302385,2.3911599510368835,5.620048448990617,0.1486022108400399,-6.28374597792404,-0.7301093608260733,1.969113437790254,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0317,10.074834337619071,10.879302796738596,11.663570858252594,12.421691265006702,13.14843175394057,13.83985222834388,14.493433019068013,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_48,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1191052853513335,0.8043753293589838,2.4107618342998784,4.559698948254117,6.404404308008362,7.551363323773933,8.136559301493312,8.406503816719846,8.507207561394795,3.8289406132531423,0.5824186577496656,0.0049258391640135,14.237198678719375,7.043715283538646,8.249052819424094,2.098142716560659,2.48853703947742,5.271603159296116,0.2977074078954839,4.870196302641292,0.5941975927634194,15.41975927634194,-2.48853703947742,-5.271603159296116,-0.2977074078954839,-4.870196302641292,-0.5941975927634194,-8.39683335529678,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0317,8.570694783664738,9.303248979462367,10.030366913940776,10.74824059426858,11.451948759216709,12.13651044166443,12.797547781495393,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_49,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0941980546980434,0.6310562943842912,1.9972501189038223,4.012351319277892,5.8792145093389045,7.08759710601602,7.71556677522467,8.007576372185826,8.116870590904028,3.3052055672089176,0.4533136636528506,0.004476018955343,12.241981991640207,5.223070343702187,7.031134746359805,1.155963225156619,6.022741869454396,13.273406777752372,0.650936384954136,5.286222921961483,0.6933765211614762,23.744384804707003,2.148984887887923,5.020457207773431,0.141598285329331,-5.0398428674538325,-0.5948244993584165,2.138960547176559,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0317,10.081955364475782,10.849653661499325,11.604603646220772,12.339738735314404,13.048838929885402,13.727091611618848,14.371208363876343,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_50,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1189543334434553,0.8101457845851553,2.529014714531161,5.065213704049119,7.395621083379432,8.887243585596574,9.656767703945198,10.013289091521104,10.146516437229977,4.176229486316685,0.5843498009593349,0.0048871573196923,19.30354289766256,8.704770245906754,10.863472213898367,2.204629538877664,2.495241517274437,5.2863567113212975,0.2990483034548873,4.887627944913536,0.5946669062092106,15.466690620921062,-2.495241517274437,-5.2863567113212975,-0.2990483034548873,-4.887627944913536,-0.5946669062092106,-8.457173655469933,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0317,8.461690895950774,9.244224744780372,10.011396650999345,10.761076669467489,11.489771087310594,12.193702231426226,12.86950524707584,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_51,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0924759794312786,0.6388497398273759,2.087770590778049,4.34005274481493,6.538128819026055,7.999908431132822,8.76803368419631,9.126811289579438,9.26133051812336,3.5335164685234,0.4555273908434436,0.0042876955873342,14.93190998708874,6.148418575542889,8.463989834930524,1.2591001875063086,7.049128645160565,15.574095900691004,0.7903694160689234,6.322806663781449,0.7487979899546312,27.87590321497597,2.3989351138488133,5.6368890124360425,0.1495342252551436,-6.273779318012743,-0.7291870516471487,1.9973588535812423,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0317,10.063470365013387,10.869570153225249,11.65520014069603,12.414464638657714,13.142170814923908,13.834409517769712,14.488685848303122,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_52,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1190806119192185,0.8042868540784823,2.4106163121409727,4.559317657918313,6.403389495694207,7.549735708789273,8.13456132184164,8.404323019730121,8.504956719992832,3.8286891250220494,0.5823453781806789,0.0049241006250599,14.232974090060829,7.042796501412331,8.245644962401414,2.097813133080778,2.4916077196188606,5.278360350622724,0.2983215439237721,4.878180071009036,0.5944125403733204,15.441254037332024,-2.4916077196188606,-5.278360350622724,-0.2983215439237721,-4.878180071009036,-0.5944125403733204,-8.424469476569742,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0317,8.584532944406671,9.31629508236736,10.042704901461397,10.75993405943448,11.463045762174884,12.147048413808369,12.807557421147663,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_53,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0942060443023874,0.6311240860181461,1.9975490146102413,4.013601765907532,5.882062384424246,7.091791920190827,7.720543258377029,8.012933470935561,8.122372807007485,3.306027513208882,0.4533625281819267,0.0044763426083827,12.249367121363846,5.226163923023485,7.035714401532164,1.156549915459443,6.024935303969516,13.2784903683736,0.6510174966170186,5.282764540908466,0.6933665423885227,23.74251155802384,2.154790671431543,5.033444346594227,0.1423572681826078,-5.036786213503669,-0.5949752114266045,2.166210783623428,20.0,44.926495,2.0,1.0,0.3999999999999999,55.0,-6.0,-12.99876,-1.0,-14.0,-1.16,-40.0,RSM0317,10.073922701381756,10.84180435738433,11.596956112521775,12.33231570242191,13.041662215567948,13.720178992068606,14.36457221816017,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_54,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0640836091543792,0.3872117297557305,1.326797867846088,2.948485959322124,4.575106245256963,5.661768907365161,6.2333512421729536,6.500416575206377,6.600562207692324,2.3580376846227766,0.2792095987973429,0.0039911672388369,7.542545753633854,2.4080527741426647,4.835614872519522,0.5338541071106655,6.763053035526208,14.846815042080111,0.7347365736808938,6.987342374465141,0.9933946471318448,26.74826111449576,0.9096942330206602,2.491088027109424,0.0729210335345659,-6.987342374465141,-0.9933946471318448,3.584717209374288,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0317,14.226459650249724,15.097596858319656,15.871833517830211,16.5623964905051,17.18034429370833,17.73493450431302,18.23396574095468,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_55,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0645042652907622,0.3811709441564899,1.2379596097059775,2.8450068340939016,4.618755918966447,5.852098759465615,6.509911965093009,6.818820410803605,6.934873929134155,2.236105328547448,0.2781409449079551,0.0039975387829794,7.71886048050242,2.171712063512188,5.036895604359374,0.4749556189801363,7.089003495630118,15.696951000470042,0.7398390660909169,5.523699118467093,0.925048775862816,26.089996345787643,3.067876590935369,7.254280971960743,0.3293062061791345,-5.523699118467093,-0.925048775862816,11.721346248875262,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0317,14.76678164068244,15.562233932294264,16.27275454666332,16.9101502214126,17.48384210080362,18.001537707567,18.46968823765613,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_56,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0640707851756006,0.3876368441431252,1.3292334981908402,2.9521161370996825,4.578445898172851,5.664550534873039,6.235768550293438,6.502650446561429,6.602725331441872,2.361487010691833,0.2794134509304621,0.0039886508734661,7.541268506520837,2.412717095469891,4.835715473002633,0.5397898926621948,6.76981329312422,14.863119638885657,0.7351810099682577,6.975435253810029,0.9930627699246626,26.75428381679578,0.933093582743268,2.542934293355668,0.0756512927546356,-6.975435253810029,-0.9930627699246626,3.670743714319006,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0317,14.24739714396456,15.114444068527012,15.885371186216544,16.573270193916226,17.189081050667852,17.741960213114535,18.23962204275472,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM0317_57,RSM0317.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0646089618334309,0.3816476655508941,1.2379681798642188,2.842030794619246,4.611760565976807,5.842337679668685,6.498726631074826,6.806981124430711,6.922791554364011,2.2344119897382053,0.278539389998186,0.004006634374901,7.698420058142573,2.165643286915969,5.028898316147512,0.4813457918401386,7.079837618959157,15.675250916742971,0.7390850372836131,5.5333509062344906,0.9252091924637502,26.075229331053823,3.043317610246406,7.199773891882802,0.3265102500011829,-5.5333509062344906,-0.9252091924637502,11.63511177616876,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0317,14.3884555723175,15.227244900289056,15.974082312484969,16.64220127739169,17.24212450777524,17.782408065204166,18.27016005470573,"[Co].[O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)n1cncc1)n1cncc1, nodes [Co], topology pcu"
RSM1175_0,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0051705020503503,0.2170521443373705,1.3928135713353045,3.8227315617775264,6.407505652616354,8.167817821046933,9.100098176426677,9.536851924574329,9.70079715137478,2.911507309142974,0.1202457567933158,7.1114395077141e-06,13.348498232911917,4.318702077083709,7.946607486785096,0.5598395451095435,21.768455431466336,49.12140057504966,2.0415052454644336,4.729607514106859,1.2911552451937671,65.06309002517862,-21.768455431466336,-49.12140057504966,-2.0415052454644336,3.899502604818189,1.2911552451937671,-65.06309002517862,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1175,20.83232496422728,21.26963915942809,21.618256292190114,21.90001379197026,22.13059514122672,22.32144084346092,22.481023843845065,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_1,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0051277231256124,0.2161343887213046,1.3891652529167875,3.814832293885232,6.394413350880258,8.150531935344846,9.080380177392676,9.515946588004269,9.679438437730912,2.9052083530750825,0.1196672884028159,6.9977465290419625e-06,13.281609741176627,4.3008247754037,7.905916265378673,0.5571121198321979,21.768879141573404,49.122611299981536,2.041857894156286,4.733415588302036,1.2915702463462149,65.08565688307306,-21.768879141573404,-49.122611299981536,-2.041857894156286,3.896257705176307,1.2915702463462149,-65.08565688307306,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1175,20.81477695044992,21.25884480912736,21.61172342114972,21.896224277506487,22.12859871280259,22.320628561661657,22.480997597217453,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_2,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0051663606446955,0.2171676704800811,1.3919631783465989,3.818365954395868,6.400442472378392,8.159671928812909,9.091599657060678,9.52823642825988,9.692145348568756,2.9084055346825,0.1203158325040179,7.077806774556907e-06,13.313351257819605,4.309291410811127,7.928878649805788,0.5599815605596848,21.76610948809283,49.11660292525108,2.041389969578888,4.730570146853829,1.2919876033693565,65.06675043005805,-21.76610948809283,-49.11660292525108,-2.041389969578888,3.9027707552760655,1.2919876033693565,-65.06675043005805,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1175,20.529349728098524,21.01582171826636,21.4027056249942,21.714792349540264,21.96979391918281,22.180577123370533,22.35663924761632,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_3,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0050931648876273,0.2156848337359967,1.386336511689193,3.806808855389148,6.382098214594685,8.135953809717112,9.064785613113337,9.499915057049018,9.66324904196887,2.8990137733606813,0.1193679718226722,6.888613039362153e-06,13.224383283254532,4.281528013001974,7.87856698019488,0.5557358286788814,21.768799171617136,49.122682293584006,2.0420817830399725,4.736182224862538,1.292035169902766,65.10172895471241,-21.768799171617136,-49.122682293584006,-2.0420817830399725,3.8945465640630887,1.292035169902766,-65.10172895471241,-21.0,-47.5466,-2.0,5.0,1.54,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1175,20.75659540131123,21.20930439977366,21.5691336956581,21.859281145196288,22.09628914346357,22.292158580176668,22.45573887490299,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_4,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1436213015954668,0.549343181023871,1.7018974723308788,3.983972252228454,6.467032061381104,8.17115702052824,9.074696992059076,9.497950517224762,9.65680546615225,3.12064349118653,0.4222370998548401,0.0204008251748638,13.943799687525653,4.750676484817362,8.518351793917542,0.9719488378637442,5.641640252961625,12.215795606105225,0.9278896307151724,12.97681319363646,0.762018170474622,36.80898401040736,5.641640252961625,12.215795606105225,0.9278896307151724,12.97681319363646,0.7607618261168142,36.80898401040736,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1175,2.3771145103480724,2.974371294703364,3.61504644078004,4.279741698791868,4.952097152178458,5.6193770059117805,6.272351609756154,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_5,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411243323422117,0.4897693886484311,1.340955741452789,3.0460471479244897,4.977363940690465,6.336443096391435,7.065975235873013,7.409626491141833,7.538904683738196,2.3919344965138065,0.388176985047235,0.0201547525837845,9.432687638046414,2.460891155886157,6.067250945029399,0.3703991954402926,2.5566078771226,5.558495379084338,0.4456097471233917,6.121485854109733,0.3102546102775276,18.40964291302442,2.5566078771226,5.558495379084338,0.4456097471233917,6.121485854109733,0.3102546102775276,18.40964291302442,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1175,3.5199188976481133,4.122493241544345,4.749903818843059,5.38734045936268,6.022622305335803,6.6464896332693,7.252436219759285,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_6,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410769582578866,0.5036115782086302,1.59770705610603,3.848679526526481,6.251045993068802,7.879937723040229,8.739672750369063,9.141735110735748,9.292543154668616,3.0013622397624475,0.392593041886468,0.020160897141567,14.262877318167211,4.384427831352267,8.488985291870094,0.5240937879366487,4.180479092630739,9.097058158520472,0.6427244715930213,8.191888633887547,0.4816987020115144,24.92265024302703,4.180479092630739,9.097058158520472,0.6427244715930213,8.191888633887547,0.4655503272759806,24.92265024302703,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1175,2.7417873326957465,3.349259014039428,3.9898501314074646,4.646767286009109,5.306032502584005,5.9568722780267,6.5915664301438905,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_7,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401520161614958,0.5048334563213953,1.622287565045215,4.08623163255276,6.824301771221411,8.702995196846725,9.697369399964334,10.162708430409582,10.337280979521086,3.140590705313241,0.3932317189191291,0.0198648393834913,16.40935287598141,4.82556686719838,9.99824932855675,0.6624241117609115,4.897513108243611,10.675559828917462,0.8486117363400504,11.301754857519358,0.5359674698382396,35.1991659165089,4.897513108243611,10.675559828917462,0.8486117363400504,11.301754857519358,0.5304724392461733,35.1991659165089,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1175,3.004119383113653,3.6186713885094295,4.261956998880245,4.918351610207518,5.5747252714126185,6.220937680485191,6.849756891853977,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_8,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417111586662317,0.4922978994247821,1.4936034702751932,3.514819131821699,5.670843317157397,7.134432300176417,7.907351713226383,8.268893990220894,8.404515007866362,2.7549132125016413,0.3869636549938649,0.0204398914346574,13.230064807729429,3.5996467389191027,8.185510391586144,0.3648986737783907,1.8376634863525727,4.0363945808372215,0.3602196625576732,4.719420786813959,0.143993816941647,16.027058947274256,1.8376634863525727,4.0363945808372215,0.3602196625576732,4.719420786813959,0.143993816941647,16.027058947274256,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1175,3.1596170406142305,3.857645011056144,4.571914016986407,5.285510924960664,5.98563617716002,6.6633512607751975,7.313006871951983,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_9,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410403931565694,0.4935005971894607,1.4410415272271828,3.273842179836158,5.2336812564523685,6.577615571628168,7.291990667862232,7.62722455413073,7.753150708547431,2.5868106807904234,0.3880062075785994,0.0202166672589975,11.07857527850546,2.996490268309888,6.900806761193627,0.3962600593886836,1.3616595299617626,2.975972460486527,0.2525162480550967,3.3817895144025365,0.132470525729678,10.867839714047957,1.3616595299617626,2.975972460486527,0.2525162480550967,3.3817895144025365,0.132470525729678,10.867839714047957,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1175,3.5169917537830764,4.192016791772852,4.882446392182628,5.57257789012684,6.250348633326549,6.907227101324498,7.537750323443031,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_10,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.143644387947128,0.5500256771763415,1.705838651884379,3.993637373124075,6.4819129225724135,8.18921269980869,9.094331779698946,9.518303070321696,9.677423989670318,3.128274968005341,0.4226243690336778,0.02040160600784,14.00645076971541,4.778660168306812,8.550880000645552,0.9759586964895182,5.636839615217943,12.20465009172018,0.9275860226954756,12.984245515637893,0.7627192543497833,36.80091281534262,5.636839615217943,12.20465009172018,0.9275860226954756,12.984245515637893,0.7616723646191568,36.80091281534262,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1175,2.368206342081246,2.965701911961195,3.6066611078519992,4.271669453461064,4.944354116165534,5.611968357439963,6.265273262846659,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_11,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410595789290353,0.4900941983979248,1.3488906638800062,3.074078747612906,5.028975875879307,6.405559435812594,7.1448423444183735,7.493173443415154,7.624226443986627,2.4121971033817227,0.3882212189114229,0.0201364262352556,9.5566279074859,2.5142864708848127,6.133838074664354,0.3803024975254144,2.5554513675894754,5.555939756269018,0.4453749425642532,6.118450908103503,0.3099878899177564,18.398989141550352,2.5554513675894754,5.555939756269018,0.4453749425642532,6.118450908103503,0.3099878899177564,18.398989141550352,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1175,3.509623071880599,4.113348068433999,4.741813128266194,5.380209494193752,6.016357416100315,6.640999880726102,7.247635313789672,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_12,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410451488105443,0.5033875407294924,1.5953862397610925,3.8425129554522304,6.240650684967131,7.86609628752884,8.723782251023882,9.12482993448955,9.275248068378072,2.996573690761424,0.3924833399811365,0.0201516058870756,14.19238109488287,4.3654559918372575,8.450742350074457,0.5260646142015701,4.197818227883484,9.136050663370323,0.644430915585697,8.191954546476447,0.4813969163830557,24.978231075125915,4.197818227883484,9.136050663370323,0.644430915585697,8.191954546476447,0.4648067591531612,24.978231075125915,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1175,2.7562937715576274,3.361565496495201,4.000066860804243,4.655068497339726,5.312625174381341,5.961972970976684,6.595385935596335,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_13,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400963969674117,0.5026411146918203,1.601042918143624,4.02660703672635,6.73172583293846,8.591391091591712,9.576534276498338,10.037721772501737,10.210762502178117,3.09444602375859,0.3921691542361567,0.0198553837458908,16.015116330992683,4.6634018051603645,9.794653689650524,0.6348865736523143,4.8662470276435945,10.607428214530731,0.8439251700804302,11.244023625726449,0.5326074224294135,35.01929742549259,4.8662470276435945,10.607428214530731,0.8439251700804302,11.244023625726449,0.527269925821405,35.01929742549259,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1175,3.0251322731714154,3.639496348884366,4.282365710811768,4.938155099993844,5.593784730795359,6.239162731686445,6.867098215039033,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_14,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416740761451381,0.4914064522885271,1.482534992401578,3.479919067655742,5.610025012532961,7.055291951556406,7.818238747110842,8.175042088776216,8.308873096467728,2.728986560273961,0.3865756377456752,0.0204302000877072,13.073901762876462,3.5289180284390738,8.104057122344203,0.3478119000675188,1.830360427327942,4.020951377888584,0.3593726435742613,4.7053415759220325,0.1421940578847425,16.004282913558583,1.830360427327942,4.020951377888584,0.3593726435742613,4.7053415759220325,0.1421940578847425,16.004282913558583,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1175,3.1647258794719875,3.862474365906185,4.576331300078297,5.289444167826415,5.989060627909034,6.666275172705264,7.315459366130652,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_15,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410640565489254,0.4942320287228687,1.4440513948423637,3.2713462890223743,5.215926301358526,6.545764446930594,7.251723226967552,7.5828142003477375,7.707154064278163,2.587641056954319,0.3883908740887924,0.0202216407141252,11.043572872320272,3.001064290662253,6.880946517618375,0.4058926788131591,1.3680965226768902,2.9898266322034504,0.2535022281091306,3.3961143475499345,0.1334862748865962,10.904673354254689,1.3680965226768902,2.9898266322034504,0.2535022281091306,3.3961143475499345,0.1334862748865962,10.904673354254689,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1175,3.51662015203741,4.191408359045297,4.8816877948109605,5.571723897035378,6.249434726195026,6.906276749672446,7.536779269485989,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_16,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434811848794676,0.5485247166149838,1.7007590886140365,3.985187705527797,6.470135864453673,8.175064530657028,9.078913148085418,9.502288834157378,9.66118633204111,3.120971076473092,0.4216744362502557,0.0203652222627595,13.95946103721348,4.75585028090059,8.52222733132864,0.9708144681336504,5.64295411434236,12.218092575848448,0.9275302134090572,12.974665519988095,0.7631021541014542,36.77768816098,5.64295411434236,12.218092575848448,0.9275302134090572,12.974665519988095,0.7618374355067868,36.77768816098,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1175,2.3803469185639923,2.977116458544441,3.617232862547605,4.281346521008382,4.953143183802991,5.619924360635863,6.272487705097011,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_17,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411005166100954,0.4901445791394824,1.343525429285061,3.0525382472316136,4.988754193387738,6.351603006509179,7.083241755775006,7.42790210312321,7.557562446974106,2.3969056994083204,0.3883482723575631,0.0201465789353517,9.461982492922717,2.473817927502556,6.084911369382517,0.3740199344429282,2.536812797565327,5.516373771353225,0.4430451455318163,6.081173961819859,0.3062773116095871,18.329096199400503,2.536812797565327,5.516373771353225,0.4430451455318163,6.081173961819859,0.3062773116095871,18.329096199400503,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1175,3.527037707871398,4.129932544980556,4.757505786954601,5.394983568141456,6.030214761634421,6.653964116228896,7.259745505113076,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_18,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410823016420945,0.5034808388018777,1.59715473868154,3.848817489940162,6.252538951000403,7.882394125834986,8.742626072768418,9.144916316023158,9.295808999998222,3.0011158804544764,0.3925312522561809,0.0201628040727094,14.267507879734898,4.384164059555776,8.49174639405301,0.52354925809048,4.181934922900446,9.100467407224276,0.6425975428832652,8.184897900089819,0.4814051752860718,24.911970966902025,4.181934922900446,9.100467407224276,0.6425975428832652,8.184897900089819,0.4651506414878326,24.911970966902025,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1175,2.744245699944024,3.3517888859518803,3.992422397973809,4.649348131606004,5.308590620649247,5.959381950765093,6.594008231383252,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_19,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402016035219131,0.5048384856881365,1.6199379959706,4.079730663731947,6.8158500555430255,8.694184301342013,9.688592730484752,10.1539918310989,10.328593553390522,3.1353428318404983,0.3933084025706177,0.0198777396697929,16.378569593684972,4.806313936071529,9.985686399579167,0.6575362851234917,4.893613345924864,10.666775431695427,0.8485795869298006,11.30893768237959,0.5360320507814016,35.208044429949666,4.893613345924864,10.666775431695427,0.8485795869298006,11.30893768237959,0.5306990170816347,35.208044429949666,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1175,3.014567086893013,3.6297942632928,4.273569438336569,4.9302694205311,5.5867814963430025,6.232989919228336,6.861689149933806,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_20,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417326243306052,0.4922100307827551,1.492087152261354,3.510596715794511,5.664438718921266,7.12681335338838,7.899155228099411,8.260440229095853,8.395966705162092,2.7516166442650163,0.3869484813939021,0.0204460903842055,13.215530257678196,3.590301823008105,8.178197104311753,0.362178365054321,1.840687844325431,4.042947279993864,0.3607242585946864,4.726481913082923,0.1444161006706197,16.047258880000896,1.840687844325431,4.042947279993864,0.3607242585946864,4.726481913082923,0.1444161006706197,16.047258880000896,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1175,3.160293552104027,3.858307424238729,4.572535439465443,5.2860748815760745,5.986134445609313,6.66378155147499,7.313370821729307,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_21,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410729663903104,0.4937946159759969,1.4421710423680538,3.274960964001067,5.234067304839939,6.577424281598495,7.291499713691948,7.626596956629221,7.752472563981126,2.5880712917696083,0.3881809413687839,0.0202251563508115,11.078950670126511,3.0012944086814395,6.899651727419692,0.3990170140299561,1.358984820885604,2.970276844304938,0.252165805153911,3.3763112621168925,0.1319373606305104,10.856682256345753,1.358984820885604,2.970276844304938,0.252165805153911,3.3763112621168925,0.1319373606305104,10.856682256345753,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1175,3.5180362814452955,4.19304138593815,4.883457992959974,5.573577895573492,6.251335299129489,6.908197188561704,7.538700132470789,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_22,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1436005520342506,0.5498365022888031,1.704364293686143,3.990965840100739,6.478470857523622,8.185284582198722,9.09014956762448,9.51400268900503,9.6730794221353,3.125942144652126,0.4225431180642568,0.0203837251954493,13.988703469804076,4.773676178107412,8.538471036432727,0.9749549036058937,5.637323503711405,12.20544075294173,0.9275565986319452,12.986124087768705,0.763128865519659,36.79523053698738,5.637323503711405,12.20544075294173,0.9275565986319452,12.986124087768705,0.7621052625911124,36.79523053698738,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1175,2.375660028370816,2.972383361138631,3.612536090581805,4.276753509421595,4.948703099169491,5.615668546280286,6.2684320236734825,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_23,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410656097509236,0.4899906189100452,1.3479713838615193,3.07316497755807,5.029968196964945,6.408402752673208,7.148765857274214,7.497619562875302,7.628871009515519,2.411007988608645,0.388178559610692,0.0201380548659746,9.557622656802176,2.511363027045065,6.13424420128311,0.3763584822707559,2.5514573626417194,5.5477254322383445,0.4451303907462931,6.112500488612065,0.3087578680125357,18.401840539031923,2.5514573626417194,5.5477254322383445,0.4451303907462931,6.112500488612065,0.3087578680125357,18.401840539031923,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1175,3.518431282659861,4.121796425688959,4.74976247786589,5.387590527961995,6.023149236541983,6.647213400361994,7.253301118453158,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_24,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409865429988772,0.5028991510211409,1.5923716660148486,3.8353552160006528,6.229762498868226,7.852843077309201,8.709309159349788,9.109790926854114,9.259997408103578,2.9908604739148146,0.3922053535933736,0.0201359979340381,14.156423780640983,4.3478285371968965,8.431465801018055,0.521515650595007,4.200195861507813,9.141662423966558,0.6439704349708186,8.174966044147464,0.4808587659389017,24.945684288297613,4.200195861507813,9.141662423966558,0.6439704349708186,8.174966044147464,0.464044575979946,24.945684288297613,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1175,2.7609805755434715,3.3668493987227306,4.005800963366895,4.661108311987016,5.318842070266229,5.968259551627101,6.601656611042519,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_25,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401259410913999,0.5029477348127304,1.599383821758244,4.018663568565569,6.718295401615503,8.574939723071953,9.558671162199357,10.019236343125003,10.192049496360225,3.088778276925721,0.3924042976691855,0.0198610773585525,15.967720134418345,4.643437627373758,9.770745144891372,0.6310196144562754,4.86218376274103,10.598445420815231,0.8434232742333907,11.240154852202968,0.5323786869739829,35.00137391207413,4.86218376274103,10.598445420815231,0.8434232742333907,11.240154852202968,0.5271013283396231,35.00137391207413,28.0,62.53806,3.0,15.0,1.2399999999999998,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1175,3.031190596848756,3.645856615772891,4.288927590812053,4.944825376638339,5.60048191020521,6.245818839847237,6.873658744680293,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_26,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416704440039062,0.4912661695076951,1.4804903704767232,3.473496005489728,5.599420640408929,7.042078431880812,7.803702728515934,8.15989845718353,8.293503199300392,2.724160736870635,0.3865199934611074,0.0204292683603129,13.052926136113204,3.516577565627601,8.092972503548156,0.3439247416166014,1.829533848244822,4.019180760667185,0.3592545656561857,4.703570373494308,0.1420369977619726,16.00015035470889,1.829533848244822,4.019180760667185,0.3592545656561857,4.703570373494308,0.1420369977619726,16.00015035470889,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1175,3.164881357500239,3.862543197654911,4.576337952816969,5.289406088659175,5.988990008687761,6.666180517958976,7.315346677801052,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_27,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410778468566928,0.4939490305015289,1.4419933315177471,3.2657999993911924,5.206751768218517,6.53426614412513,7.2390591384067156,7.569620725343037,7.69376470295458,2.58340205544537,0.3882582261073985,0.0202264469945748,11.020586136807609,2.9912457348866246,6.864906316685033,0.4009017690869297,1.3633015489508662,2.9794437781726586,0.2527068932624306,3.3849566950503114,0.1328437644160779,10.872974783615811,1.3633015489508662,2.9794437781726586,0.2527068932624306,3.3849566950503114,0.1328437644160779,10.872974783615811,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1175,3.5154818182983734,4.190022019343622,4.88014671290746,5.570099115563946,6.247778573939763,6.904626617862897,7.535161040954193,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_28,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583837782899589,0.7788347318688259,1.9437453858147704,4.0255834638324695,6.411432722774778,8.10498298741685,9.016421299061726,9.446076517586436,9.607744446201608,3.226407228934774,0.6027782916619553,0.0103091149497183,12.549174417106506,5.458647750784488,7.18913588374097,1.323340453201072,3.0046884954968403,6.448472603974892,0.2066563382967589,2.2302757009967795,0.5567543041719872,12.480494616015518,2.286827057459325,4.868781180778561,0.0630840506892557,-0.0407746213797831,0.4188383770889064,-4.927763724407108,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1175,7.0007192879312266,7.813792512491811,8.613186132244197,9.39396788293636,10.152365477077064,10.885380653636846,11.590645950310837,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_29,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.106725243138138,0.7010483914177793,2.129096264039024,4.520103963288289,6.981673640695025,8.644404690468892,9.52150967686574,9.931615654386658,10.085427885918833,3.641250709536026,0.5130389902086588,0.0043735965939803,15.695537050773906,6.613271699795642,9.061308082638766,1.591510475637235,1.0404499739542166,2.186262172139733,0.086278568417589,1.5124254912929858,0.2779022334557139,6.32762540561752,0.2989159731127394,0.554478043520018,-0.0620282317507064,-0.4519384158951795,0.2181134939800737,-5.648615978944808,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1175,7.51026177039415,8.317173731136338,9.11750971126272,9.906140195907438,10.677378156778314,11.425862025953476,12.147083378293706,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_30,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2267059962451234,0.9372496956371108,2.30187325106009,4.517783728727163,6.807577057059428,8.360420553794228,9.181603953193768,9.566048430484994,9.710315818549768,3.7027519256861328,0.7367074468091842,0.0243396354043457,14.40896589139315,7.209237348788831,8.023508758448395,1.919969448640629,1.736094365915937,3.7393950900830255,0.2682443218633884,3.882048940823044,0.2819506111807235,14.045358266847453,-0.9463488527179476,-2.1634606995682044,-0.2682443218633884,-3.0923034276250543,0.0941795858763518,-14.045358266847453,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.56336379902767,10.346645198432256,11.10098066451594,11.824968694650469,12.517017920394808,13.17579099634962,13.800433526737557,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_31,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2317074981686329,0.9453749321611776,2.209501571267293,4.138231142036117,6.133585739382849,7.495668726490352,8.218230751011074,8.556944224021244,8.684115855899552,3.4314190617442657,0.7466052637376026,0.0247399767171559,12.04279288112545,6.31903515359625,6.627221525118768,1.814280230019085,2.0975524205780305,4.517352161665311,0.3236186304323032,4.686501464036456,0.3387471911923024,16.960134711536217,-1.138633883745002,-2.604044082685346,-0.3236186304323032,-3.7275829272034273,0.1122141498896903,-16.960134711536217,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.597573912260392,10.303820231997229,10.996476470635534,11.671866048215136,12.326345367464292,12.95677213141411,13.56072194452729,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_32,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0995661595789635,0.6871654095539567,2.148966325919236,4.51662103658122,6.864910100835863,8.42713798520019,9.247044648693072,9.6297239927477,9.77315664489686,3.65996071847784,0.4979614730414544,0.0037981406743235,15.155778965791107,6.808288220456428,8.73046368765667,1.5716210335519265,0.7579506926827986,1.573553695067353,0.0596686213302742,1.2352996633249924,0.2367490070046924,4.983125890019477,0.1612644793800562,0.2605146550115765,-0.0596686213302742,-0.3160844912621375,0.1949809720735005,-4.983125890019477,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,7.617306575859263,8.486336549446214,9.348625278774756,10.19469621891707,11.0163413927681,11.80705060915076,12.562115695152889,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_33,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581038805325229,0.7710917178881768,1.911990804786928,4.00641896667176,6.455983144680089,8.209324560285957,9.156135044644564,9.6030917755366,9.771364655495232,3.1951756805081355,0.5979844261228595,0.0104147945819413,12.89301669359904,5.378445970210628,7.525746436285988,1.2695118017646947,1.555310354500977,3.169923771775094,0.0570549961510685,1.920617221860322,0.5743131379091765,8.667035665440945,1.0353898940176272,2.0258117626175376,-0.0469290959456014,0.5536351742954114,0.5346277881085653,-8.383510459687868,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1175,6.845539705954029,7.649261813053447,8.446241517376977,9.229586468488357,9.99400735162318,10.735335753587451,11.45030762531427,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_34,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2252835439413262,0.9304797790377094,2.392290310831386,4.919586269372497,7.524433879775347,9.269809287837658,10.185952881131705,10.613310625122404,10.773435632027995,3.98614308661215,0.7302966612953319,0.0239998283177235,18.74476266141053,8.6405282543476,10.323281693930754,2.030122862027707,1.8693685303238567,4.0262988851949,0.2887459988539899,4.1793365211557765,0.30202691537192,15.121762628699082,-1.0180914582160427,-2.327706967506552,-0.2887459988539899,-3.328059449047962,0.0999047161741273,-15.121762628699082,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.22798317209564,10.033580215584054,10.80761950828436,11.549454374413727,12.257952163804733,12.932045191320483,13.571037914514736,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_35,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2262561914076482,0.9257758131051996,2.350714501555255,4.9158801165965,7.670938717363647,9.55719934916342,10.556820063590823,11.025032323059172,11.200756800118691,3.9529964196249714,0.7292820432294878,0.0239761596387424,19.42558440536688,8.537173686029634,10.87720635662724,1.9782228484393511,1.780109096400462,3.8357435340032633,0.2766004727811878,3.992912878649965,0.2845709565662829,14.432554937626064,-0.9858956314114165,-2.250993701792621,-0.2766004727811878,-3.19869941366092,0.0909506256194516,-14.432554937626064,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,8.843701866794557,9.679758238478648,10.479989451771704,11.244654567787494,11.97337910909144,12.665670077819234,13.321243912658147,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_36,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1065338446039958,0.7459430446104374,2.436559013433357,5.3083902629810105,8.185525703078447,10.093923244414256,11.092280730641235,11.55742260137211,11.731625292176888,4.261438945861025,0.537277211601397,0.0039435528144335,22.937892478611392,9.523853925965224,13.029601585609312,2.1044315814723,0.5494797378690096,1.181122525592349,0.0826702178747688,1.2108414808671604,0.0904333441699122,4.400803046840426,-0.2772224408786791,-0.6380786072552346,-0.0826702178747688,-0.93858418387683,0.0325641916575741,-4.400803046840426,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,7.299176270975855,8.12009007307261,8.920734905031166,9.700183378970529,10.45668805209814,11.188035541284174,11.891977480632256,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_37,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1090789737172939,0.7573463797252172,2.4486203461300304,5.259322869375806,8.033827383359165,9.858489461217458,10.808966148470834,11.250935071199464,11.416323916692209,4.240708419510743,0.5459822413841343,0.0041608060254481,21.809912754504147,9.287929930886053,12.319262023691048,2.1197021617853355,0.7894117491941117,1.6985978533589092,0.1204079572262519,1.752675407004127,0.1280521278774515,6.355217890495597,-0.4146678230684072,-0.951041857542522,-0.1204079572262519,-1.3779314808784229,0.0437665578190752,-6.355217890495597,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,7.349108369015829,8.161391726926462,8.949139187818245,9.713001152061215,10.452767763322298,11.1674595573393,11.855696894283604,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_38,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1070439862196741,0.7216840613265477,2.40920081392841,5.504830856954326,8.672860390151975,10.772218963745718,11.867099496523222,12.376268801290305,12.56679919665789,4.360561876663882,0.523324790291112,0.0040578571496472,25.60649180437744,9.92436827131412,14.79885780112132,2.010117466025681,0.4870499062442351,1.0552807188216011,0.0813721697157499,1.138027263970235,0.0651794156464412,4.062692925536176,-0.3266717909132647,-0.7353561893017293,-0.0813721697157499,-0.9776491486392646,0.0082188968454163,-4.062692925536176,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,6.935061659072417,7.748188917388421,8.549644615816105,9.335421844436954,10.101498949189182,10.844140709225462,11.560149279918816,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_39,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2155332795935728,0.9176911720195624,2.357123058845876,4.660588418241842,6.989217978468077,8.555984793073561,9.382363902929251,9.768870672490538,9.913859628420546,3.821732322853713,0.7143585410610926,0.023387247759807,17.13309577485357,7.931066182133911,9.641220258969255,1.9947165938005245,1.6573908592349371,3.632563616580448,0.3171921678081978,4.19492820170052,0.1460179686279036,14.630797652338645,-1.5145308188470414,-3.3474149759662075,-0.3171921678081978,-4.052068161312625,-0.0760165488378346,-14.630797652338645,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.413412346056116,10.283146615902012,11.100208507032354,11.867535357613733,12.587949957026732,13.263992053829869,13.897953457747008,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_40,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2210735021417998,0.9272213408374296,2.313567940704352,4.515475276122903,6.748101935009592,8.25337213100505,9.048151872399623,9.420060502777998,9.559601919771527,3.7128601589723766,0.7259631316858539,0.0236335132949393,15.844909178152887,7.350832272335573,8.965016544563477,1.9308837884959889,2.1454211534772893,4.706759329877132,0.415093565690703,5.466169679002914,0.1784038488162531,19.028977081200505,-2.005514503429741,-4.427590431800948,-0.415093565690703,-5.326263028955364,-0.1121616471672386,-19.028977081200505,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.44047588321815,10.256816391359726,11.030055064290387,11.761872192479691,12.45396315126044,13.10785492035078,13.72492730241678,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_41,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583293516174706,0.7790293307660612,1.944860848865304,4.0274021986365645,6.413084044534117,8.106219519075891,9.017368434272525,9.446874042212077,9.60848366418038,3.2280963226938884,0.6028690697364525,0.0102916470556012,12.558010366192706,5.465078349995152,7.190354970628338,1.324883365859402,3.0016300279992443,6.441338784892697,0.2072671121491432,2.2487246461468056,0.556934883597664,12.52312611560373,2.268426839310915,4.827887041618214,0.0606264744114772,-0.0594440242837829,0.4185452447572793,-5.022105691906353,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1175,6.980799387753922,7.79388767563844,8.59322617733239,9.37391521780086,10.132227480064444,10.86520251043347,11.57049739105825,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_42,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1070541889314284,0.7023395243198104,2.132413548198639,4.5265149202219135,6.990792224691931,8.655055711727613,9.532875899683836,9.94329500299184,10.097221247880226,3.646571989633906,0.5140550374216263,0.0043983320847862,15.741140262252449,6.635648702348113,9.082710996661987,1.5966245210380428,1.039298945697311,2.183087511443022,0.0840901520645722,1.479998437258449,0.2792361796145427,6.24023802615054,0.3272983833601664,0.6162932499908934,-0.0583099604028567,-0.4098733123107002,0.221017577960885,-5.518392659622506,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1175,7.485558927264911,8.292146613881345,9.091863741508025,9.879786633991095,10.65036875456178,11.398332929660604,12.119212384777288,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_43,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2266438920389651,0.9372429264960068,2.303869825106747,4.525797328450071,6.8235825514852255,8.382564440618077,9.20718357660485,9.593276787007367,9.738169171227602,3.708308915936652,0.7366241433477725,0.0243346532151971,14.482794994734894,7.232433171009873,8.064877629777433,1.9228397536812187,1.733691807843665,3.734340849224684,0.2679890625083235,3.877604307910253,0.2813730599681673,14.028240289384794,-0.94619881723957,-2.1628978255834785,-0.2679890625083235,-3.090111317306158,0.093780716212341,-14.028240289384794,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.540077953638514,10.32614553154478,11.083026174305482,11.809267120220296,12.503276714668596,13.163740150729511,13.789833853451992,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_44,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2316093844830576,0.9453730113012632,2.2133958633814514,4.154284992898004,6.163882256432598,7.536011953292043,8.263995828300017,8.605273335949821,8.733411407154948,3.442671681509464,0.7464925067621665,0.0247192466782338,12.14939636969802,6.361250778800778,6.683085673059613,1.8198352766279808,2.10392208751492,4.531791633390099,0.3253036240795375,4.7063510801512205,0.3383918163170202,17.02568291916535,-1.149114153280456,-2.626683772364648,-0.3253036240795375,-3.751543145916756,0.1106792794613442,-17.02568291916535,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.577774372967353,10.286660038005502,10.981590936511866,11.658945062134729,12.31512288462086,12.947018546551211,13.552238517445486,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_45,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0996405565331811,0.6878369505602631,2.1529093892540683,4.528053779677918,6.8861466979806165,8.456209314949204,9.280615360950634,9.665480664919828,9.809746302197391,3.668421568770534,0.4983825519276005,0.0038012084105149,15.247650293783106,6.8444431453844,8.778578338230785,1.5754569046578075,0.7600012820107136,1.5781037965105265,0.0601137931782024,1.2409116274363334,0.2368686035892976,5.002282273617618,0.1588633502286889,0.2552685184517282,-0.0601137931782024,-0.3220469951969308,0.1947889483645559,-5.002282273617618,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,7.598579839211733,8.471066339262634,9.335970201695204,10.18405929689172,11.007288346351364,11.799258863979162,12.55534147596361,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_46,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581524995239831,0.771529108338207,1.9183227939803096,4.027778723861321,6.492089956567465,8.254808141630312,9.206423603059898,9.655599205496056,9.824700106717152,3.210987391305249,0.5982118551174828,0.010417593278031,13.056714678278688,5.4372591911109005,7.615285546157701,1.2773693879763024,1.5525936403236886,3.1636752484534103,0.0569891662241786,1.9249680308792607,0.5743910057756694,8.673019443197912,1.0291124998807115,2.011727777889336,-0.0477070618644167,0.549993909187878,0.5347306420277385,-8.413120521124581,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1175,6.805864132052248,7.618463538503474,8.4225911814533,9.211672894799424,9.980684834974484,10.725678147669852,11.443568758261373,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_47,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2253447095281802,0.9301393513386876,2.386658562146664,4.902253678725564,7.496147271528353,9.23500449253014,10.147967822361432,10.573894704503276,10.73349188521922,3.9730798611490994,0.7302400237779461,0.023998499917281,18.57455729818748,8.576358921851266,10.23405649985094,2.0227033689735663,1.873921615630132,4.036408005852677,0.2897448614222069,4.191880507007787,0.3021484714019093,15.164505306594796,-1.0235269985919382,-2.339578337070926,-0.2897448614222069,-3.341485889969594,0.0993270684063646,-15.164505306594796,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.248326532205704,10.047961045905865,10.81743417475792,11.555763912870576,12.261566172073564,12.933584844824718,13.570982625013905,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_48,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2260719030390914,0.9243609618459716,2.3365687880912214,4.873131503885383,7.600909005245947,9.4701929581806,10.461244359155176,10.925530531752774,11.099794990448965,3.920668421972378,0.7285021037675223,0.0239544632248383,19.07545649161403,8.391691557083611,10.699467740368204,1.9594382860991115,1.7855751154569277,3.8475063634985553,0.2774363825972596,4.0050661762350055,0.2854317226111185,14.476603229229834,-0.9887887105156687,-2.2576255024730942,-0.2774363825972596,-3.208279771293746,0.0912262547930369,-14.476603229229834,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,8.86557232015096,9.697505910722573,10.494798347560309,11.257371890609813,11.984600715752851,12.675809380014032,13.33058451279214,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_49,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1062375887495273,0.7445191171504142,2.4260944082711893,5.274451318749768,8.12729937442007,10.01998573400401,11.010271079834263,11.471685703571373,11.644497860744966,4.236363885602072,0.5362955376223129,0.0039219623488206,22.633211150817747,9.396940841208444,12.880363606506924,2.0876928276408795,0.5519604618138125,1.1881732767180695,0.0847115360474415,1.2296527501933447,0.0876743368569225,4.454033030017893,-0.2951548986606027,-0.6759481240046257,-0.0847115360474415,-0.9728471870401348,0.0283762616237135,-4.454033030017893,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,7.320387199173254,8.13888553221217,8.937747130639167,9.715891918750817,10.47144015969167,11.20207246473042,11.90546025188011,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_50,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.109126633137019,0.7573089480176209,2.443555656269026,5.240259678351758,8.000754874882736,9.81638751586818,10.762177624684476,11.20196535829109,11.366537241112251,4.226869652687268,0.5460622905500576,0.0041639960098492,21.612645270786665,9.215579440776605,12.220010760397722,2.111431886989155,0.7888016524796521,1.6976402333730407,0.1206579134848967,1.7540649603588256,0.1273506667015284,6.357166532096195,-0.4177774823693151,-0.957499894977124,-0.1206579134848967,-1.3830407902484891,0.0428901272621008,-6.357166532096195,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,7.363489454079766,8.173395937449541,8.95913865463103,9.72130387039698,10.459632215250233,11.173104666012051,11.860309027277529,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_51,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1069726371052129,0.7208966973610116,2.400279616530617,5.477304583862103,8.627128349348986,10.714850335528167,11.80375897217882,12.310169755718968,12.499670705222602,4.339857443318075,0.5229272141205211,0.0040516758081835,25.331566024853068,9.814413562728136,14.663469846433456,1.9980800247136368,0.4896979528120697,1.0622922412545983,0.0830542144294758,1.1541316682478764,0.0630999399891998,4.109574052649864,-0.3408441914826883,-0.7653589354575198,-0.0830542144294758,-1.0052779069184945,0.0049619898885668,-4.109574052649864,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,6.93853982192951,7.749652964067912,8.549644827971942,9.334361390997511,10.099674399935411,10.841771701778836,11.55739962141095,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_52,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2154367877854868,0.9167802159623948,2.3500246630750703,4.636041939236306,6.941321014378296,8.490417297160272,9.307027809277146,9.68887717064858,9.832105621445493,3.80436579082369,0.7138406719879093,0.0233739945132793,16.94481801730756,7.855352861066491,9.54226339030318,1.9844911633817488,1.664714273330182,3.6489439924580216,0.3189157797440045,4.216040511282218,0.1459868564693797,14.701886961531,-1.5244435241098626,-3.3689635770142643,-0.3189157797440045,-4.075769762061898,-0.0772541893514231,-14.701886961531,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.40109575463175,10.271000800755433,11.0885823097426,11.856604509455115,12.577784533142408,13.254599729151629,13.889306753770384,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_53,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2210351618475639,0.9269912610589806,2.311300546743761,4.504089954872398,6.721282146795786,8.213471513500489,9.000645112422038,9.368847415511542,9.506975339106788,3.705589404906108,0.7258112130097923,0.0236343243064529,15.738000191054343,7.316227160900748,8.910663030583178,1.9272457981118525,2.1396292326349604,4.694359678639128,0.4142707815117206,5.453795484728725,0.177362750111596,18.983561793409216,-2.003078582482245,-4.421884289332669,-0.4142707815117206,-5.317244834576011,-0.112626796946608,-18.983561793409216,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.440380024182677,10.25564708560442,11.028219672947143,11.75963420652964,12.451495029515575,13.105270625191636,13.722302617158135,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_54,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1585568152046906,0.7792794874825029,1.943989655594092,4.025656400651952,6.411427675097929,8.104777520761582,9.016047444635936,9.445608665948358,9.607238836396352,3.2264977448908554,0.6031856591188263,0.0103282853574329,12.54982304321102,5.457165613226538,7.1899503101429545,1.3232562946050044,2.995592733366069,6.427916885981886,0.2049949104388196,2.214902364765454,0.556941734954536,12.421075332301015,2.290448991261858,4.876211414006978,0.0639661620179772,-0.0219129733906917,0.4201693244587823,-4.890165303510703,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1175,7.001152662553711,7.814230843467928,8.612767052168202,9.392181928173638,10.14897543885635,10.880341990113587,11.584039469324656,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_55,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1068298632763323,0.701547673726564,2.1299388207559526,4.519664485195572,6.979349539011481,8.640996071674637,9.517629881243654,9.9275414538472,10.081285104541122,3.641437512249251,0.5134277644992112,0.0043780434619809,15.682470523345708,6.61384882834777,9.05149741226473,1.5930572566608725,1.02945957699381,2.1625495510246555,0.088822426891372,1.56592228255919,0.275420777477578,6.444925471491099,0.2379668133943096,0.4208285671002484,-0.069476125828528,-0.5209783543937765,0.2137287361801887,-5.903229041731468,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1175,7.51062762232913,8.316732687018291,9.116138659114382,9.903815895821785,10.674147731544382,11.42181627748876,12.142335617287577,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_56,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.226571029781115,0.9370255496437075,2.3018833246715933,4.519559950633024,6.8105265742011865,8.36355845976967,9.184666827060472,9.56903904354648,9.713273547381162,3.7038742206132818,0.7365107365828099,0.0243020192796503,14.420630903112643,7.21854502189768,8.024387434551937,1.9188638356752628,1.7377534817727447,3.742612140617903,0.2681566447284572,3.883006639600402,0.2828148258760011,14.051900303432868,-0.9438129655118268,-2.158314268087056,-0.2681566447284572,-3.089066123339484,0.0951051745660813,-14.051900303432868,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.587841531060844,10.368667358867835,11.12085965105427,11.842975651863464,12.533387707410316,13.190726768999646,13.814110966249084,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_57,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2316777531824619,0.945445513619731,2.2107179506359387,4.142525579459864,6.14091942817868,7.504813768416847,8.22825278885508,8.567358551817197,8.69467447240898,3.434552977961458,0.7466207396268714,0.0247303991745193,12.06675107118238,6.331768036134151,6.634536728953857,1.8163012354625,2.097991677162327,4.51766225020623,0.3230709476327803,4.68255925822457,0.3399347551258632,16.95137733846724,-1.1327177991654769,-2.591681949345872,-0.3230709476327803,-3.717285380227719,0.1137850917829172,-16.95137733846724,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.600326432154716,10.306837560319185,10.9995792924712,11.674933271004145,12.329299916040682,12.959568944692416,13.563338454340933,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_58,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0995962431870944,0.6870015391769164,2.147653574810481,4.514530026348954,6.863344846695935,8.42640340058001,9.2468624691321,9.62982336560898,9.773365187596536,3.657968983752665,0.4979054547950715,0.0038020167957295,15.148910508054245,6.800059531623384,8.728590230776742,1.56994292137854,0.7540402860916414,1.5651689269635762,0.0591018490054354,1.226855078135125,0.236025189160605,4.952238410566917,0.163021796037287,0.2646020066374867,-0.0591018490054354,-0.3097929960061965,0.1946538948568002,-4.952238410566917,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,7.61479927885318,8.484045721100168,9.346183598204432,10.191915685469018,11.013146894848676,11.803435977924291,12.558114436885171,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_59,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581160613879233,0.771045979186161,1.9126432313180013,4.009731707751381,6.4627593222840645,8.218619846194962,9.166788376243872,9.61438430519106,9.782897437773496,3.1973915024565924,0.5979425399871137,0.0104215965778775,12.91858581235488,5.386268606431209,7.538517525911323,1.2696783175925654,1.5302933610786698,3.114056520222109,0.0551480840863955,1.9204112853997464,0.5732955298141089,8.61399492910352,1.0071829359758742,1.962924828041302,-0.0494740009341635,0.5518130554041297,0.5348337230324379,-8.455120600841022,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1175,6.81082452263232,7.6239313982205905,8.428225451075964,9.217270502964595,9.98612059751791,10.730874339986656,11.448478902499192,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_60,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2252807810800828,0.9304355638859508,2.391775571394952,4.918623362154667,7.523896753768659,9.26986136079434,10.186375464550803,10.613916943996378,10.774112350495685,3.985228245960705,0.7302741775084332,0.0240008372072542,18.740369662454217,8.637255988348517,10.32162174660806,2.0293046272176087,1.8690389075455207,4.025526355006535,0.2886340581518331,4.178111372760185,0.3020973488595229,15.117875700764268,-1.01730167397281,-2.326016184334792,-0.2886340581518331,-3.326374139187475,0.1000535081532399,-15.117875700764268,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.237786286572565,10.0423868854587,10.815651841043596,11.556868026447894,12.264856735551302,12.938518595350518,13.577136397805663,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_61,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2263289492548484,0.9258264533690412,2.3495773788296512,4.911686021125918,7.663797853307469,9.54832198337903,10.54710642486924,11.014945448490986,11.190532765616052,3.9499417192031374,0.7293760343142838,0.0239916829894764,19.39329582920004,8.523916307454504,10.860785203142257,1.9769686049499968,1.779819368071533,3.83522537424488,0.2766582879064219,3.993085671322909,0.2843350412495812,14.432262598486105,-0.9867635109926864,-2.2527841134456463,-0.2766582879064219,-3.2000298142440617,0.090674239715086,-14.432262598486105,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,8.841089250245687,9.676055611798928,10.475559445857291,11.23976153324632,11.96821547653565,12.660375747196396,13.315920236342787,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_62,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1065402353988242,0.745957507347764,2.436086439831938,5.306007700525672,8.180540742631987,10.08700388312558,11.084306521275693,11.548949072780688,11.7229636196082,4.259859185947053,0.5372976513667755,0.0039440120391386,22.91704383074564,9.51650079260748,13.018720975376612,2.103720788019533,0.5502730084746552,1.1829619225465349,0.0829196333387102,1.213630075184337,0.0903238197128506,4.40975770914748,-0.2789233249124467,-0.6417277272811192,-0.0829196333387102,-0.9422803916221284,0.0322800763757535,-4.40975770914748,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,7.295121840725881,8.116260930535324,8.917157030730232,9.696860670733887,10.453611787273877,11.185190519410874,11.889345791740668,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_63,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1090665632573488,0.7573026218773615,2.448642959244608,5.259615608801979,8.034560232527134,9.859632826501093,10.810362910287957,11.252458815929366,11.417896660954549,4.240887451234993,0.5459447056325246,0.0041599131676084,21.811025108873743,9.289234452294211,12.318999286959697,2.119758636090006,0.7890971352788316,1.6978632559059856,0.1203041807412157,1.7515305812085578,0.1281025438542207,6.351569291218474,-0.4139446721333262,-0.949492799478453,-0.1203041807412157,-1.3763781180630523,0.0438896173353697,-6.351569291218474,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,7.332277714576419,8.144920228372664,8.933144043775396,9.69754970474254,10.437895863824656,11.153183046933446,11.84201863512913,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_64,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1070396196367556,0.7216824049615439,2.409184033056348,5.504569396940785,8.672227400905928,10.77129994013054,11.866021344309086,12.375114563273511,12.56561616343408,4.360409997872946,0.5233191330266217,0.004057577315246,25.60291124686977,9.923769827109568,14.796669710375626,2.0100779305936625,0.4866183854665778,1.0542943559293536,0.0812501080962243,1.1366192502363723,0.0652186359193625,4.058094089257375,-0.3258826954956653,-0.7336565227842727,-0.0812501080962243,-0.97588356026546,0.0083435602520055,-4.058094089257375,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,6.933955469911977,7.747240802057358,8.548822077841516,9.334700203281091,10.100859373185022,10.843568691645189,11.559633526870376,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_65,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2155499278687396,0.9176848638878404,2.3567765201642272,4.658410025661511,6.984345583691149,8.549127944595995,9.374438662820284,9.760443251738431,9.90524357553242,3.820365356837482,0.714363635309487,0.0233931397585438,17.11887420308177,7.926587434763527,9.63273371610425,1.9941085202672464,1.6588507447354266,3.635818547191982,0.3175255785326667,4.19905537299676,0.1460331500017589,14.644765294330467,-1.5164050405912404,-3.3514969217201864,-0.3175255785326667,-4.056609668852574,-0.0762347549711075,-14.644765294330467,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.411780153467816,10.281669992940971,11.09887892709988,11.866337332724608,12.586866137252107,13.263005861305889,13.897050244086207,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_66,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2210965273419723,0.9272327237268272,2.313668707135462,4.51641925046623,6.750295263184063,8.256508896220527,9.051808480899917,9.423964659400667,9.563599611061145,3.713429247911071,0.7259818407699167,0.023641479946941,15.851609732264816,7.352749458171599,8.969164017171844,1.9312797469020049,2.1445391113581547,4.704710422671243,0.4148120097623425,5.463035189456895,0.1785523612236781,19.01893575203762,-2.0035809862652707,-4.423443554394179,-0.4148120097623425,-5.322077064364011,-0.1118160456099614,-19.01893575203762,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.444646002033616,10.260714530205878,11.033718878832405,11.765330758856258,12.457238637327768,13.110964287679757,13.727883757353508,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_67,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.158758266613957,0.7798956857735688,1.943088890985776,4.019385914808115,6.399688363140458,8.089654427666355,8.999232681319153,9.428022981182645,9.589367141246743,3.222276608852295,0.6037444578400788,0.0103440985130227,12.498190291507218,5.441758552072227,7.160082878698296,1.322454258559203,2.9904411660663093,6.415987112849494,0.2048453832145629,2.2235579023527903,0.5573641007373693,12.433586088690245,2.27845751693736,4.849230069791484,0.0624486533887729,-0.0285406402874837,0.4206546834022586,-4.949353063796838,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1175,7.018069123169962,7.822617878843097,8.61452707296522,9.388922504417565,10.142005695066889,10.87070104279904,11.572536820585936,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_68,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1070193183761479,0.7024056659765867,2.131839923429597,4.52214883473033,6.981855280941467,8.64334728060257,9.51985739762325,9.929702093467734,10.083419234496672,3.6438044797758407,0.5140934875230581,0.004389323134961,15.695296237717264,6.623806635605442,9.056582416889166,1.596182028304934,1.01906693310305,2.13900512528198,0.087086551861971,1.5519081978996478,0.2756962866424574,6.386475039981952,0.2392298312051007,0.4229330310262438,-0.0688808685176187,-0.502976792051549,0.2151908424226865,-5.876715906340087,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1175,7.500223127925862,8.303985733017532,9.101521551052238,9.887730166836617,10.65694481667438,11.403805133988884,12.123785256268391,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_69,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2265980308730574,0.9371610552393048,2.303039709916185,4.52405150673594,6.820195114122075,8.377406248080652,9.200885124635755,9.586399418290233,9.731067424781433,3.706911047402064,0.736583097086502,0.0243162683795832,14.46337769638924,7.230561686289739,8.049003934895824,1.920671638570089,1.736413258644772,3.7399906583081903,0.2682061998393164,3.882062857359304,0.2821336890433548,14.04619029001019,-0.9456487397483916,-2.1620262363798832,-0.2682061998393164,-3.091298338462923,0.0943893491558335,-14.04619029001019,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.572153289035544,10.354823692132864,11.108613959787204,11.832111135431314,12.523716875463712,13.182088721954024,13.806368085118072,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_70,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2316352432228209,0.9455515736766124,2.2137017332513107,4.155005578326003,6.165359104868243,7.538000595430199,8.266226917678747,8.607608849475902,8.735784469424692,3.4431809364278627,0.7466259278871455,0.0247201406886003,12.148407521678784,6.36436178394304,6.676533185961171,1.820334019986196,2.0992689015963544,4.520918694979318,0.3237605560871529,4.689353350293577,0.3391615317072944,16.97155562972483,-1.1383366592751742,-2.603600697207648,-0.3237605560871529,-3.728421107972397,0.1125291424462876,-16.97155562972483,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.563076337409315,10.272552634500649,10.967999797924165,11.645824588396684,12.30244712247146,12.934773860275538,13.540418210679135,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_71,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0995680458312407,0.6870767235151141,2.149830361678859,4.5230974487285724,6.880372067737615,8.449984995769956,9.27414217133066,9.658885459687529,9.80310425446069,3.663935062497008,0.4978961605915616,0.003800390210193,15.223024629440934,6.825359978591608,8.768175840776776,1.5723311193348704,0.7544137467187634,1.5660835629393246,0.0592664688368543,1.228545497413598,0.2358854464554793,4.957398110330903,0.1617490583502203,0.26189409762055,-0.0592664688368543,-0.3123826923446141,0.1943989182696813,-4.957398110330903,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,7.611234447959029,8.481649159639089,9.344812078567813,10.191415598206524,11.013370314470505,11.804248118800771,12.559396638779027,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_72,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1580653529143657,0.7710717678541563,1.9172292310904504,4.027388744985424,6.493708562144676,8.25793348322208,9.21031945871419,9.659843639676126,9.829073003864185,3.2101122286321893,0.5978623557200942,0.0104158798207779,13.060838436894786,5.433334140804935,7.618456338898161,1.275773830573785,1.5380012730343868,3.131472170776602,0.0560813041170794,1.9247643890706367,0.5731725509869893,8.641442326037465,1.0115700745860283,1.9730329441686696,-0.0492049355725922,0.545728720288175,0.5340875473186458,-8.448904006791825,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1175,6.8068346975546925,7.621743686859687,8.427790892003454,9.218438215359576,9.988692206904176,10.734637182920409,11.453225376594318,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_73,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2252500912946536,0.9299380627782012,2.3857789937070977,4.899499323193501,7.491656896820175,9.229426524693432,10.141823667604209,10.567485505467385,10.726983092356324,3.97100739430359,0.730064571687484,0.023979629627859,18.55391341892079,8.569298305592968,10.222048216968446,2.021326150435379,1.873537478903191,4.0353966651983,0.2895065846188122,4.189590155853689,0.3024359775847364,15.157819086892198,-1.0215283672849311,-2.335346272762664,-0.2895065846188122,-3.337581044235429,0.099781368351568,-15.157819086892198,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.257441078351665,10.0566184503302,10.825655877618953,11.563581761567455,12.269012792584684,12.940689537602012,13.577770223022371,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_74,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2261265575389716,0.9244516265188948,2.335703281977405,4.869081920739539,7.593329883938659,9.46035378943055,10.45026741646192,10.914034873658322,11.08810696355062,3.91787387607864,0.7286078760684715,0.0239626148069238,19.04330017184825,8.379374694979164,10.682476794617354,1.958721347797585,1.7879715216424872,3.852588502131248,0.2777301340555278,4.00981259408671,0.2859474829848876,14.49446028932299,-0.9893298189127911,-2.259007517430351,-0.2777301340555278,-3.2111708913570136,0.0915363891460184,-14.49446028932299,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,8.859315730408115,9.690937263467807,10.488039062229731,11.250523914460688,11.977746414283008,12.669013663498491,13.32389744896672,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_75,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1062645386103486,0.7446225880505969,2.426010199204744,5.272613599649718,8.122557571322668,10.012975560753596,11.002007119401028,11.462825729736087,11.635412980677383,4.235339676211497,0.5363801769262303,0.003924052968617,22.615252420137885,9.392342352338988,12.870512262609296,2.0876486479131016,0.552845134213096,1.1900570750736668,0.0848281945584323,1.2314706906805544,0.0878268049483866,4.460789562234127,-0.2954368113712271,-0.6766314568458068,-0.0848281945584323,-0.9740623678386856,0.028447068757484,-4.460789562234127,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,7.31253525798263,8.13140355265434,8.930660644212951,9.709197463067824,10.46512008637896,11.196103476769242,11.899817915126029,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_76,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1091013459548022,0.7572299060841153,2.443629749363953,5.240380280474993,8.000349063368821,9.815443364242467,10.760917561278394,11.200552666097218,11.365066668684328,4.22704972499895,0.5459922552678449,0.00416155590578,21.60956023139977,9.21708947359378,12.21623477666318,2.111598169452941,0.7891603923256778,1.6984188372346565,0.120719476561804,1.75491620482011,0.1273861179394239,6.36019149286447,-0.4180343732923628,-0.9580760186356538,-0.120719476561804,-1.3837901857867954,0.0428824843461612,-6.36019149286447,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,7.3601383708262995,8.169747610859229,8.955354493687944,9.717495817575,10.455876484611784,11.169451701779414,11.85679075395577,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_77,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1069980938276824,0.7209862179548463,2.4005093779721114,5.477589201904198,8.627090690006625,10.714418687442924,11.803072950004614,12.309354978843968,12.498806110276414,4.340165713764023,0.5230006798382995,0.004053298215883,25.330939237288497,9.81617761546894,14.66205992478785,1.998496853555068,0.4888031499381213,1.06022750352201,0.0827824039420685,1.15106238147467,0.0632128076385119,4.099663828531979,-0.3390208894825642,-0.7614423420732586,-0.0827824039420685,-1.001280121019113,0.0052651248790639,-4.099663828531979,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,6.9422628655765015,7.753222979007429,8.553039451593955,9.337572374962386,10.102701920316724,10.844620796040193,11.560078009659245,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_78,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2154362401824695,0.9167782831519063,2.349738018164809,4.633621955583637,6.935335887291883,8.481574206546814,9.296572158223594,9.677646283727816,9.820580716907047,3.802933186642234,0.7138393395844942,0.0233735911899305,16.931002942566412,7.850867793791958,9.534429552681988,1.984057964378902,1.669346713577909,3.659289604016749,0.3199905781564024,4.229271338829129,0.1459996755247301,14.746545131017594,-1.5305590679861156,-3.382269463415529,-0.3199905781564024,-4.090483693237335,-0.0779937291847513,-14.746545131017594,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.41509872948988,10.283887896935012,11.100417356703108,11.867465457975388,12.587752884728172,13.263755287611495,13.89772504836116,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_79,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.221029977114151,0.926949958881966,2.311088739079711,4.5036914739437535,6.721212176462318,8.21391347263082,9.001439212240285,9.369823977185224,9.508023138293716,3.7052084906607368,0.725780973297411,0.0236372182769547,15.735400376979737,7.315534179045465,8.907591454629921,1.9269102222432448,2.1390181969827182,4.692959064673322,0.414093922270331,5.451769575145366,0.1774319585159928,18.97696943032021,-2.001921025720592,-4.419393023724893,-0.414093922270331,-5.31467240388324,-0.1124337870732385,-18.97696943032021,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1175,9.45100999314215,10.265292942545852,11.037051278804018,11.767781731737044,12.459058438135369,13.112327145744542,13.72891254049364,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_80,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1016386085007517,0.6352849833126616,2.027195992112464,4.426135126040567,6.915298699045928,8.601396871924823,9.491787376540666,9.908286942983564,10.064524212426765,3.5409645384140105,0.4621121182982095,0.0051824753121636,15.634695159202767,6.166102002237626,9.009588914325931,1.4011284864732234,5.080607909961665,11.217767848189686,0.4149098418527772,2.1993415698998406,0.6074381057514159,16.968678845777305,3.3583355652188023,7.67748463082193,0.3145660493100512,-1.7846328975104873,-0.4415546367956746,10.881383782121496,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1175,9.719340952920772,10.590717857096047,11.418402566201353,12.20301889725877,12.94507787344488,13.645103078481316,14.303774984124928,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_81,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1015768443026869,0.5925387192899356,1.8200770007932825,3.930577719972871,6.118417678342323,7.605574068396155,8.393190650852617,8.762183987456513,8.900694914257022,3.152952503667875,0.4378664164029697,0.0053594088117082,13.280094238108578,4.8674555533979005,7.851406792824377,0.9871891146379346,3.2352711861309147,6.914552416773202,0.4470542372261829,6.811705083940377,0.6388854627685978,20.6468983029164,-3.0667485136738857,-6.578737287368082,-0.4470542372261829,-6.643182411483348,-0.5714763937857863,-15.960054037463372,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1175,11.423181257427816,12.226511770924446,12.97960778920475,13.686287683153056,14.349492059970476,14.971531412545572,15.554349254675769,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_82,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0995131722765188,0.6492993966572351,2.1638819697296925,4.831211220042217,7.55684881497399,9.378995528564804,10.335139278537708,10.781163839497108,10.948288790715283,3.8499700939537167,0.4680295864025778,0.0049216304944079,19.20104064061572,7.743926657748029,10.793598836202955,1.5914490111936692,5.179923560669604,11.43241964780209,0.4414720002392678,2.614684924211839,0.621185669274237,17.940984569044765,3.0295158508212525,6.970787546137856,0.2758238395691917,-2.2954997506140384,-0.4935115998351168,9.719132274252718,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1175,9.702457050686982,10.647242966314586,11.531924334413295,12.359529848403744,13.133039686730775,13.855235128739205,14.528739297607611,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_83,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1017272906703192,0.635323150431737,2.0285358278598413,4.431599972498912,6.925113432588644,8.614033709809382,9.505870630986989,9.923036490903632,10.07952202364759,3.5448554209387217,0.4621635464102173,0.00519350901101,15.68410013163327,6.182131050605187,9.03749249125866,1.4029281611017583,5.054829784208983,11.159662695226428,0.4120287192597429,2.1856658665642805,0.6064202944916972,16.882313662205206,3.33998167520144,7.635862064026128,0.3133117127076271,-1.769599158794929,-0.4399936113839566,10.853299861273817,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1175,9.713856514896314,10.586678046875008,11.415548965333508,12.201101678610872,12.943878457773096,13.64444099302284,14.30350669316224,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_84,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1015407867986451,0.5926894748697712,1.8241511064592808,3.952292620166837,6.167242921325108,7.675391841455162,8.474623133972406,8.849145896073594,8.989745021251386,3.1668427925828926,0.4378795602646179,0.005356094698565,13.43245246038063,4.91511972705502,7.937590581063953,0.9892441799958188,3.2209831641893665,6.883116163837269,0.4441966328378733,6.774556226892354,0.6380293646031061,20.54688214932557,-3.0556618999638205,-6.553680480615024,-0.4441966328378733,-6.609234962666809,-0.5719008589128878,-15.815454798832034,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1175,11.404755321244416,12.209718161818332,12.964269374769414,13.672253762730117,14.336630732048468,14.95972573995858,15.543494946748744,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_85,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0994423876663691,0.648126361350327,2.155326957707874,4.805778672128866,7.514783934728713,9.326341160108925,10.277059973501938,10.7205796177553,10.886769809450074,3.830767892843484,0.4673329754842009,0.0049185210206809,18.96449878743209,7.658550667483535,10.673048411903077,1.5801195580368637,5.1721970230278185,11.414688538429376,0.4411288024976292,2.62279086497714,0.6210711008254549,17.93662243763926,3.013683968643772,6.935344787270068,0.2739813831531605,-2.3031219154642373,-0.493203521020294,9.652380916295996,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1175,9.781369479291149,10.719062210035696,11.597340495828792,12.419213455042348,13.187610179795335,13.905249534904373,14.574691311200525,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_86,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1015518774234676,0.6347809882902354,2.025331925970433,4.423431665290061,6.912618155504534,8.598707623227456,9.48903426282128,9.905486544373131,10.061703042142309,3.5383843625230296,0.4617595933953894,0.0051748433260551,15.628067203277109,6.156933702578466,9.007212282565604,1.3974675460314945,5.094384545468018,11.249047023851762,0.4160627343696546,2.19757644741877,0.607613859959704,16.998832772876412,3.380859603729017,7.726845187261384,0.3163266742193436,-1.778615792700715,-0.4400295980724821,10.9145870932737,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1175,9.728540432695103,10.60007335184238,11.42802411253563,12.212922575417302,12.955225432943314,13.65542878402226,14.314202891681228,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_87,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1015615311859411,0.5924884687875345,1.8192244807149744,3.930719653974761,6.122882167962232,7.613987044951784,8.403888864278716,8.773986702107873,8.912917032367318,3.1522604332528,0.4378443547361887,0.0053571953281163,13.287519040579983,4.864687979734703,7.856096749164481,0.9855157389226684,3.233284448436422,6.910180906208834,0.4466568896872845,6.806539565934698,0.6387575468405164,20.63299113905496,-3.065009680657905,-6.574859776456581,-0.4466568896872845,-6.638264798156181,-0.5714476397291093,-15.94093387482039,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1175,11.430000657539331,12.231321897270549,12.98289724181001,13.6884245213492,14.350754222260177,14.972129802126965,15.55444476559919,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_88,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0995037860074341,0.648975395942179,2.1628547129692466,4.828994663049961,7.553183473537937,9.374263005184778,10.329821149580209,10.77556706698625,10.942586751492671,3.8482197400112814,0.4678188317424925,0.004922638744276,19.1819292704947,7.736133637796229,10.784245335991113,1.590673562445715,5.1704872817923055,11.411082576313987,0.4405258735441744,2.612224353924908,0.6208114642455118,17.91385913795519,3.021561769929531,6.952594173491339,0.2750588224818011,-2.2916069584888032,-0.49256450607107,9.692090118279738,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1175,9.749518467863128,10.689972168989138,11.570696185880172,12.394743109472616,13.165079326034736,13.88445517191317,14.555456867059458,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_89,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1015256107231411,0.6343501214021623,2.0250004274535014,4.424343172158756,6.914842450249288,8.601753976318022,9.492489575301848,9.909127036409965,10.065411986495995,3.538814063902831,0.4614460305149929,0.0051751916874694,15.642080007470568,6.157694858603933,9.01648166809266,1.3966262302922303,5.071619739521815,11.197590529006671,0.4137599303608263,2.1911643658264923,0.6068784815401936,16.93255381462459,3.358188753896736,7.676102350007021,0.3145382833546952,-1.772636223278678,-0.4394672245210678,10.87104722164028,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1175,9.714175520387986,10.587147776998853,11.41636582183482,12.202355342382296,12.945591188075358,13.646593785503104,14.30605700466888,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_90,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1015383631139881,0.5927199376945453,1.8230578479853603,3.949907753460368,6.165467241189356,7.6746501351028416,8.474550493725797,8.84940831851463,8.99013631628712,3.164666376499073,0.437917416619309,0.0053546437913297,13.417824460609433,4.907382035002137,7.928906516955152,0.9885449293325068,3.2194811600619646,6.879806204381127,0.443896232012393,6.770651016161109,0.6377954624165912,20.53636812043376,-3.051298520334265,-6.5446686581957385,-0.443896232012393,-6.602468376433408,-0.570522406525511,-15.816243639196188,1.0,1.9926999999999992,0.0,1.0,0.3999999999999999,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1175,11.402511596478517,12.206511111768195,12.960598071725478,13.66843607156886,14.332863535962884,14.956125425098053,15.54012488982037,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_91,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0994276659785536,0.6478412033327227,2.154099612943678,4.802785466700136,7.50989353319926,9.320105868230725,10.270089345678626,10.713258543446742,10.879316180190065,3.828433319869415,0.4671517783621572,0.0049182749978098,18.940679006378407,7.648987624131225,10.661351633389692,1.5791960962789475,5.169049428880345,11.407591577534696,0.4407783980068075,2.62115362013713,0.6209121945985883,17.926134462615693,3.0121961240794755,6.931758415062894,0.273824307028213,-2.3005378225625366,-0.4926658755687507,9.64489183559894,22.0,49.5393,2.0,1.0,0.3999999999999999,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1175,9.765783925996404,10.706413467329051,11.58715244316602,12.411048786279034,13.181090410453882,13.900058046129455,14.57056856723194,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_92,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0624089350475667,0.3804432662761488,1.4825086862011925,3.799357261554132,6.297107754857232,7.990200394449407,8.882199347321418,9.298868144087288,9.455070585676951,2.9221361300023023,0.2722719584929851,0.0038392381211964,12.900184130073317,4.220642810345328,7.550888293319472,0.586464197188891,6.288409494335583,13.756392992896254,0.6522424600470499,6.686256776641701,0.9615396090678578,25.56755986152976,0.0379617781316609,0.5672948329842702,-0.0497309102882647,-6.686256776641701,-0.9615396090678578,0.9984918997937472,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,14.141200075020704,15.021461375857264,15.80986918164147,16.51791703104823,17.15528234014241,17.730170163762836,18.249612974511965,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_93,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0777703865283304,0.408950548017672,1.4362008369480432,3.67241595343364,6.206732167752414,7.964840042268934,8.899514094318775,9.337683384612308,9.502175693128365,2.808649767177031,0.3015473824618693,0.0059542774317495,12.64467045305466,3.9226417296042873,7.830774865338473,0.7343037059913823,4.235475133720061,9.055637819778482,0.4447107761960616,6.458487791083718,0.877222917033248,19.55074227685066,-2.4837160964512144,-5.089438474949583,-0.2778765821704573,-6.458487791083718,-0.877222917033248,-5.739815265977503,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,14.589359689757014,15.411843676226916,16.131829367595653,16.768048900540155,17.33498679434657,17.843861429834867,18.30341347727369,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_94,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681736723817114,0.3799612894595164,1.4324289897639644,3.7877935288156768,6.457305944028899,8.308233484734249,9.292329264300143,9.753725582797449,9.926949686544226,2.87719133578865,0.2765400010569083,0.0046701740486886,13.656604517400543,4.177856617389663,8.353532605828061,0.6400505932006694,5.921456917633894,12.981140991437496,0.5369294214951174,4.726157211417078,0.928213873675278,22.915451211640328,1.2851328724744104,3.3354705378179066,0.149412463277102,-4.726157211417078,-0.928213873675278,9.35235767400979,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,13.982814256507536,14.88424329620925,15.683498092510888,16.395603693299552,17.032894431068932,17.605477517426273,18.1216809085306,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_95,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0722743860365739,0.3874475515386292,1.497234629291979,3.887603969771127,6.500876442054102,8.28884921565026,9.235616855264356,9.678931773318846,9.845292840216844,2.977875018457968,0.2816974162532712,0.0053348493298777,13.999631012906043,4.407408850127097,8.45172212220635,0.6904832591443762,5.318142978288438,11.639198982630164,0.450780696916794,3.876004790807292,0.8747726568468978,20.4379971805108,1.3078607104069022,3.362893730937543,0.1802672734351432,-3.876004790807292,-0.8747726568468978,10.970027358653024,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,15.491134675791676,16.198134519091827,16.824287255459026,17.38444364492401,17.889578541233885,18.347914788031183,18.76573503106648,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_96,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0622688692149576,0.379958521629018,1.4812923464483594,3.795838257368199,6.290239622548973,7.980807417223822,8.87142955888057,9.287447569155786,9.443405003935949,2.9196139543701305,0.2718830369152908,0.0038225399440956,12.865894656600233,4.213364581077664,7.52818152677541,0.5846919369385819,6.307512693980793,13.79850414898664,0.655605553429407,6.727421284420286,0.9631191020939422,25.657172918565383,0.025215592076148,0.5395767427197867,-0.0524885738049363,-6.727421284420286,-0.9631191020939422,0.8738784653633636,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,13.645570350139035,14.573508545791777,15.40444781277016,16.150243534553137,16.821035589869354,17.42551329858807,17.971173104462373,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_97,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0776791176041451,0.4082223313336791,1.435641382936229,3.6727033243704015,6.208203249086401,7.967547260047213,8.903019787773914,9.34159557451962,9.50624562871859,2.808641717419377,0.3009864032347785,0.0059477411024736,12.650849336503429,3.923134728537005,7.83254001001199,0.7334694084565564,4.218943340940571,9.019523210923872,0.4419994641762483,6.423379002367463,0.8753866524465836,19.471877891348463,-2.4712707727127583,-5.062576137947655,-0.2755544576783614,-6.423379002367463,-0.8753866524465836,-5.642509373562885,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,14.92536001690032,15.714344247044329,16.405187880340414,17.01599563902245,17.560697952430335,18.05003943972828,18.492361760545894,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_98,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0682129421098807,0.3797847072697908,1.43511454391769,3.799247572369151,6.476215565649541,8.331245134690837,9.317276094285493,9.77953179557074,9.953071352181306,2.885509375726768,0.2764307386549504,0.0046759945763443,13.75481101494355,4.206738100146942,8.40339657099489,0.6390244054142007,5.920920792285594,12.980385769698175,0.5375922606951599,4.734223047739742,0.92720794456537,22.916791543484905,1.2813387347300156,3.3264215077875585,0.1483372180682316,-4.734223047739742,-0.92720794456537,9.292865051542416,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,14.512174600691866,15.363549914354666,16.11771596803921,16.789609454841052,17.391203974211056,17.932149537189115,18.4203053127828,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_99,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0722577479534302,0.3886770887858573,1.509255440250716,3.921747458473976,6.555726015687015,8.356600309358386,9.30989853073542,9.75621023141812,9.923686517217574,3.0040604436345544,0.2822618872431229,0.0053302627995735,14.251887032328556,4.497996394371783,8.589181431011935,0.7045917967364512,5.307741464152138,11.615788692196382,0.4493504046894668,3.864767917455098,0.8742509006328338,20.39891686500137,1.304340565127128,3.35478366081931,0.1803716933371299,-3.864767917455098,-0.8742509006328338,10.984661967669584,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,14.549174122460531,15.36944470994072,16.09075378374378,16.731217012004002,17.304533320091103,17.821137074785305,18.289085180313243,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_100,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0623952916198558,0.3806026481012687,1.4832621615207997,3.799663468463743,6.295804742983576,7.987537541460496,8.878774873979362,9.295080582779118,9.451145908737786,2.922793201947516,0.2723513254973497,0.0038365635213464,12.892382907807386,4.2216649781116,7.545035544648517,0.5871600338137793,6.289728449793118,13.759275621503088,0.6523493871566809,6.6871737290371405,0.9617759956007436,25.5726221582666,0.0382931863442511,0.5681488320573426,-0.0496806599055029,-6.6871737290371405,-0.9617759956007436,1.0015705110901714,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,13.14664902110552,14.130729922823068,15.008856224361294,15.794663452886198,16.49968802145945,17.13370272036229,17.705045345260324,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_101,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0778615255563261,0.4088421419861199,1.436508783912374,3.674225537494445,6.209248235890565,7.967320806434582,8.901831106210649,9.339892382212176,9.5043392312717,2.809973459145201,0.3015103123611503,0.0059724102924296,12.653686721107618,3.926694203662123,7.834702389226538,0.7334951124199809,4.236074337877422,9.056416135074004,0.445175976410482,6.470771662873639,0.877634975845928,19.56344328422405,-2.494766824624893,-5.113880334616257,-0.2793371656245269,-6.470771662873639,-0.877634975845928,-5.794516687001269,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,15.232231093231894,15.98209162967026,16.640601082604796,17.224459138581647,17.746508778503696,18.21665236750174,18.64257663379464,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_102,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681385506749728,0.3807903630786202,1.4361047936313518,3.7929770587712346,6.462156509314981,8.312713297988639,9.296666266076802,9.758015860138723,9.931226165639805,2.8821796112367712,0.2769889655677879,0.0046610715123327,13.670153162068152,4.192712151792394,8.352611074414478,0.642530500691536,5.910062464930847,12.955205008891566,0.5363179173215396,4.732806960351323,0.927241436862687,22.886432484562928,1.2664235167059434,3.2932477708461403,0.1471569380724404,-4.732806960351323,-0.927241436862687,9.265798210844462,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,14.109714957700405,14.995287615127207,15.779935406623617,16.47904412074316,17.105004178962435,17.66782791964706,18.175683510333364,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_103,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0723695172522222,0.3865705784173248,1.495028380519278,3.8898992485940815,6.509164783122335,8.300874302836496,9.249465721691095,9.693597793514147,9.860259541418523,2.978119529707877,0.2812579421627182,0.0053524793657639,14.039019387159398,4.409266164577786,8.4739018209667,0.6864599387758458,5.298272683676717,11.59438188244008,0.4483104936725933,3.859814161454794,0.8734652983769735,20.36721478111783,1.296964310301787,3.338051225078887,0.1798073152777403,-3.859814161454794,-0.8734652983769735,10.969603537297974,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,15.066796270992391,15.8315754696324,16.504342161504802,17.102555261816885,17.639136071034702,18.12375850547568,18.56379183903397,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_104,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0623937969645623,0.3804607358853664,1.4798665214712263,3.787863337345019,6.276031534166036,7.96289645996613,8.851702696201055,9.266900034103111,9.422554026370666,2.914076070761291,0.2723067838350833,0.0038365133162448,12.802513103936064,4.192993652071435,7.494805811738847,0.5835997344804733,6.302289558759898,13.787393251701694,0.654667239514102,6.712269125416017,0.9622607031734048,25.628104805399136,0.0336182749020171,0.5578865294406722,-0.0512474458320148,-6.712269125416017,-0.9622607031734048,0.9210908182850496,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,13.700631071104178,14.6374103566304,15.472583199234553,16.219684627222282,16.88994307520847,17.49275402078374,18.036073659604074,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_105,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0779008934850156,0.4084353729468494,1.4331092670868713,3.664790298070206,6.195521828926456,7.95182321109176,8.885705368308086,9.323537563039311,9.487908532173414,2.8026001329389723,0.3013148444806398,0.0059814961804429,12.5948684156801,3.901926059859372,7.803947444448992,0.7308648761049102,4.214431433473147,9.00853061498394,0.4423649832532589,6.442835896796449,0.8753198969814582,19.474966520321736,-2.494379967425763,-5.114121137099725,-0.2785505579154128,-6.442835896796449,-0.8753198969814582,-5.757077420581775,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,15.233740568962498,15.984295372562643,16.642774277226735,17.226264990702628,17.7478169905411,18.217439762466785,18.64287297165183,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_106,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681685270224493,0.3802328406629102,1.4369888230678682,3.80027251049528,6.475112371856181,8.328779736986958,9.314191625565194,9.776186728473162,9.949633577138025,2.88712392352576,0.2766331768282093,0.0046692639351061,13.74172437822489,4.2106200342122655,8.39058102951364,0.6407370038615395,5.914746295973919,12.965620097398157,0.5374141344131493,4.74678292993411,0.9274047749727228,22.910488316980377,1.261054033291399,3.2812802804802432,0.1459954207549762,-4.74678292993411,-0.9274047749727228,9.210833338944308,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,14.745116453018282,15.568115804625409,16.296867379082794,16.946471481896623,17.528750652771585,18.053066174794264,18.526945984974,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM1175_107,RSM1175.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0723026838690964,0.3881183193732888,1.5082080021218434,3.923154782355172,6.5598950001098,8.362437402846234,9.31655754059148,9.763241733450604,9.93085593890232,3.0044420195081654,0.2819567488288581,0.0053394148576713,14.270148566091825,4.499887060689643,8.598692073777878,0.7022063023246456,5.2911041000737375,11.578057255283666,0.4474060968736233,3.8551698073182736,0.8733003872139693,20.34326613655514,1.2913236763408538,3.325374197767477,0.1794917865944329,-3.8551698073182736,-0.8733003872139693,10.966265276783478,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM1175,14.53065164722597,15.352469372194385,16.07464194579606,16.71563913112257,17.289349740729822,17.806305482626726,18.27460935425793,"[Cu].[O-]C(=O)c1nccnc1C(=O)[O-].n1cc2ccc3c4c2c(c1)ccc4cnc3pcu,.cat0","linker [O-]C(=O)c1nccnc1C(=O)[O-], n1cc2ccc3c4c2c(c1)ccc4cnc3, nodes [Cu], topology pcu,"
RSM0447_0,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0059482405921583,0.1971771081127271,1.050972551139549,2.516192011619476,3.96542929193051,4.9338535448100656,5.444165564180634,5.682859030928324,5.772408957586991,1.9872709354938216,0.1136130282622369,1.3805035348603563e-05,5.484817033276396,1.7902665834119094,3.5475238423172035,0.3543441043168235,18.1596003928211,40.98552260190399,1.9201960280995711,6.564388850060623,1.3849021457116542,57.659351529992215,-18.1596003928211,-40.98552260190399,-1.9201960280995711,5.800999658339966,1.3849021457116542,-57.659351529992215,0.0,0.0,0.0,7.0,1.56,0.0,-26.0,-57.925255,-3.0,-8.0,0.0,-95.0,RSM0447,20.77124789207696,21.1413431906578,21.44101119201759,21.68648183315013,21.88969310618894,22.05955435799845,22.20280266196085,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_1,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0059432772144859,0.1971161331212208,1.0501567739165376,2.5132090418417405,3.960190986629817,4.9271951416976565,5.436793592154348,5.675161540734557,5.7645906827689934,1.985116609392603,0.1135799223789596,1.3754049319654728e-05,5.47127453876847,1.7859375779424491,3.539784392664994,0.3535958581964545,18.15862457930132,40.983865938619566,1.9198746780006293,6.564877580572663,1.3860393004839875,57.64486166734089,-18.15862457930132,-40.983865938619566,-1.9198746780006293,5.813297887343215,1.3860393004839875,-57.64486166734089,0.0,0.0,0.0,7.0,1.56,0.0,-26.0,-57.925255,-3.0,-8.0,0.0,-95.0,RSM0447,20.652110703748136,21.040824031935017,21.35517273323793,21.61239813000279,21.82515162228019,22.00285515870864,22.15262056275499,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_2,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0050260534508742,0.2290831042599011,1.3293609422178614,3.343662546345499,5.377957149977714,6.727764763482112,7.433177996664968,7.761593673145461,7.88454658542636,2.6057646360340114,0.1273020895459549,5.370694811854653e-06,9.14804577875382,3.532317262897175,5.275619072306683,0.5074078714231167,19.000332238905983,42.93445760066214,2.0,6.999667761094015,1.559852153686836,59.99833880547006,-19.000332238905983,-42.93445760066214,-2.0,6.999667761094015,1.559852153686836,-59.99833880547006,-19.0,-42.933795,-2.0,7.0,1.56,-50.0,-21.0,-46.922495,-2.0,5.0,0.6699999999999999,-60.0,RSM0447,20.561852597695648,20.99971600109173,21.34516881784536,21.62200765725721,21.846979584323662,22.032097973661163,22.18613589530189,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_3,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.004236226483237,0.192080755113138,1.048240549096621,2.374220349535947,3.6444138156676367,4.507090214556335,4.968913385468207,5.186767607550094,5.26880615771372,1.9074148292899256,0.1067012037005012,4.898186761261693e-06,4.623307104786588,1.3019922727887174,3.0573874106504406,0.3649224126353747,17.216482389109203,38.87180829939849,1.8055992516642616,6.205866316338285,1.348601948338466,53.7758677091524,-17.216482389109203,-38.87180829939849,-1.8055992516642616,6.044453304536949,1.348601948338466,-53.7758677091524,0.0,0.0,0.0,7.0,1.56,0.0,-26.0,-57.925255,-3.0,-8.0,0.0,-95.0,RSM0447,20.720196709853663,21.10578065690164,21.41657615028411,21.669982365804668,21.87883683862704,22.05270796793506,22.19880479118001,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_4,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419615964534656,0.5029252066775988,1.4965600034715654,3.423517314550236,5.476610459904964,6.87244195982441,7.609659447534462,7.954443516784853,8.083763375252461,2.700938627053982,0.39339425035366,0.0204547828043118,11.434868444763334,3.1550743658480784,7.27994627390639,0.4412554127010597,5.785738833549309,12.508909339202392,0.9407407687418826,13.308733191640837,0.8103721888450821,36.92420671270078,5.785738833549309,12.508909339202392,0.9407407687418826,13.308733191640837,0.8103275139217521,36.92420671270078,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0447,3.2381359326692936,3.9084165231264,4.602978592772095,5.303477247064872,5.9954762130607095,6.668557681123118,7.315879255279368,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_5,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409782897039961,0.5156128451555563,1.6020157291594423,3.652314031010032,5.747446221099219,7.138467217307886,7.865328091008005,8.203712477569002,8.330395876498786,2.8951776709276635,0.3990658426858578,0.0201164467748689,12.075116231805968,3.832695681710561,7.434917123167647,0.60905412829503,3.269962186105846,7.112502507413698,0.5732761287994337,7.856171216501316,0.380240431318163,23.77951808543113,3.269962186105846,7.112502507413698,0.5732761287994337,7.856171216501316,0.380240431318163,23.77951808543113,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0447,3.227760329497769,3.8767777794450167,4.548516443447739,5.226454579662021,5.8975844577655065,6.552427619724101,7.184640229739532,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_6,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414858325706188,0.4930885910834337,1.3323812176857135,2.8270283459539565,4.420865338899952,5.520812164067663,6.107279747558152,6.382822154830022,6.486373578592786,2.2703078336943983,0.389365219314864,0.0203250004677559,8.208875226111969,1.9743881846426368,5.498822134384832,0.3005471218607343,5.57975153261047,12.10563636865634,0.9176091700680784,12.475200110765666,0.7028171333497121,36.49296452113795,5.57975153261047,12.10563636865634,0.9176091700680784,12.475200110765666,0.6960297080942539,36.49296452113795,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0447,3.2729081494791554,3.9153061153855857,4.582379060752868,5.257215317271478,5.9263636821486445,6.579938301000147,7.211261408579338,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_7,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404759954316869,0.4921255597078383,1.3872254535757704,3.023502233179412,4.770415373032416,5.976956613384198,6.620691491196418,6.923247560659879,7.03696867057222,2.4134547866360845,0.3871833954513864,0.0200612516229574,8.724357359858194,2.2397906242391867,5.805456606396256,0.4145170438989711,4.163718705863047,9.014659256362595,0.6893695069151876,9.67867476118455,0.5602869986430788,27.4372719547479,4.163718705863047,9.014659256362595,0.6893695069151876,9.67867476118455,0.5602869986430788,27.4372719547479,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0447,3.481473426037752,4.144723207835896,4.827746888828766,5.513885165119871,6.190170574812863,6.847312870700757,7.479257924303695,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_8,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412622361739602,0.507527030054063,1.4520942703864228,3.097698355015756,4.775155090474737,5.90709455901455,6.505227805975767,6.785244191389777,6.890328824432966,2.4952126913560013,0.3961978918676497,0.0202072958169799,9.897229538738982,2.6670066701016752,6.365510092846698,0.3185572489333165,5.577727477877612,12.136142221486937,0.8701193467734618,10.91599556146918,0.6332908421076003,33.59924784568147,5.577727477877612,12.136142221486937,0.8701193467734618,10.91599556146918,0.608564187774707,33.59924784568147,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0447,3.2123771624880995,3.8567004302993975,4.527463514958328,5.207174252260036,5.881840936490718,6.54115268680955,7.17813645129402,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_9,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406899815329937,0.4849919133912997,1.392096069752864,3.2548321831307367,5.322642937022233,6.75135728319561,7.510523777403332,7.866420562481497,8.000033030815457,2.543400230941523,0.383690903120197,0.0201401088632995,10.22612183837994,2.5855035921470235,6.759447968444134,0.3335021630415602,4.433300819677758,9.65613228796891,0.7900784650435737,10.75392854002635,0.4914217427999016,33.138988454661366,4.433300819677758,9.65613228796891,0.7900784650435737,10.75392854002635,0.4914217427999016,33.138988454661366,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0447,3.3897689083772367,4.047183804065069,4.7281004879587,5.414911679172347,6.093780147634165,6.754704836496097,7.391090515158728,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_10,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.14202900774444,0.5027615391398078,1.4946091465922846,3.4184474665912497,5.468907730029613,6.863187876275067,7.599639033527198,7.944074955085231,8.073265765666791,2.696944414104149,0.3933609212996768,0.0204750664134862,11.408763214532232,3.142105638653814,7.267350593631533,0.4389050737231202,5.785285594180928,12.507929278686332,0.9407459387783644,13.309469926175252,0.8103146356877853,36.92642459294967,5.785285594180928,12.507929278686332,0.9407459387783644,13.309469926175252,0.8102874634480506,36.92642459294967,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0447,3.240301673229453,3.909787145754986,4.603562256997955,5.303355353287698,5.994779863710032,6.667449959793496,7.314542582307334,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_11,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409747751021679,0.5153063633709299,1.6014158837584318,3.652217688480587,5.747984748401154,7.139398949136971,7.866453108421142,8.204924622001062,8.331640180003108,2.8948574063510613,0.3988726789663817,0.0201182669830259,12.079191135680825,3.83238297435886,7.435750535640669,0.6074248513376636,3.266342906825236,7.104889001768459,0.5728926252330716,7.849483908689811,0.3793489212252207,23.770769232188822,3.266342906825236,7.104889001768459,0.5728926252330716,7.849483908689811,0.3793489212252207,23.770769232188822,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0447,3.226369196138226,3.875274718231932,4.546887923806169,5.22470548509877,5.895730987268162,6.550491541132223,7.182644882328551,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_12,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414869508281616,0.4938499104590156,1.3359436499307362,2.8329352866214057,4.427129926535493,5.526712759249074,6.112865658462752,6.388238401151986,6.491722904076204,2.275665219854844,0.3897861405133395,0.0203212220423611,8.21853975349829,1.98400367703068,5.50699660599,0.3076323659598468,5.589697109314782,12.128003323236156,0.918424701500771,12.46782761948525,0.7025206257638502,36.50883895199282,5.589697109314782,12.128003323236156,0.918424701500771,12.46782761948525,0.6953698889739728,36.50883895199282,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0447,3.26639525923488,3.907878980737307,4.574196697558127,5.248451517629887,5.917188529597326,6.570506585912753,7.201706851101733,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_13,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140471778289549,0.491920147286687,1.3854736850196,3.0187490112140862,4.76275706414825,5.967431999087292,6.610206176022905,6.912317837381556,7.025872996487437,2.409788972576639,0.3870859045954022,0.0200604554103226,8.705098281884586,2.229972039824113,5.794673616032741,0.4119158440948347,4.159599748804959,9.005599898388787,0.6885501977280726,9.668001330629538,0.5599902674780699,27.400515096940296,4.159599748804959,9.005599898388787,0.6885501977280726,9.668001330629538,0.5599902674780699,27.400515096940296,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0447,3.480157634879629,4.143025616599025,4.825664268588334,5.511448580641152,6.187432747300818,6.844337163911261,7.476110368117037,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_14,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412860421281361,0.5072553887512937,1.4511414091852244,3.096332789715458,4.773556860791123,5.9053401279963005,6.503385352670795,6.783359008526588,6.88842734949463,2.493953845416718,0.3960467770529547,0.0202168427392634,9.899867942926251,2.6638119920748564,6.3680901728077455,0.3169486110240027,5.584846481172256,12.151609492467058,0.8712941720797059,10.931692233194806,0.6341460546041116,33.64618379136638,5.584846481172256,12.151609492467058,0.8712941720797059,10.931692233194806,0.6094068908004528,33.64618379136638,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0447,3.2169846120931,3.8613423022676248,4.532019302309552,5.211569367112205,5.886033398949308,6.545122615613135,7.181878389661922,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_15,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406821480391046,0.4847867399715584,1.3897383140408288,3.247687430906172,5.311683014734982,6.738499781736005,7.496849059129458,7.852402395835711,7.985892047716456,2.5379349490441587,0.3835938514383197,0.0201383656976101,10.190784692026376,2.5707663680842896,6.739504869988318,0.330642042467715,4.432760269500046,9.65488434545943,0.7899136788023516,10.75206969991886,0.491490172173111,33.130156168664385,4.432760269500046,9.65488434545943,0.7899136788023516,10.75206969991886,0.491490172173111,33.130156168664385,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0447,3.389223576430631,4.04652407534952,4.727299117028262,5.4139728084555685,6.092734892950223,6.753606176809741,7.390008267899544,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_16,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003721839934025,0.7194679304194851,2.2177402407904605,4.425919373215786,6.483213574819503,7.812705933521313,8.501775141452468,8.821674358106971,8.941316617803695,3.648466130254338,0.5180683189070215,0.003609397293329,14.1568765397087,6.380578603663935,8.350171418216194,1.7661289029540708,0.808835145435559,1.7133974015259956,0.097280365104692,1.5870780662730952,0.1775309551475262,5.989783029271637,-0.1639685056113611,-0.4273076183926068,-0.097280365104692,-0.9422114264488975,0.1094346995742419,-5.989783029271637,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,8.026772332658565,8.800773533082737,9.56253717016442,10.309354148769714,11.03767054870718,11.743792239010345,12.42439373325216,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_17,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006122954500361,0.723211688337437,2.2370557371022177,4.451978094999776,6.491249036513852,7.799697862122442,8.47571932503989,8.789148969834727,8.906310322462895,3.675430307804481,0.5202127865044957,0.00362313834029,14.325299094357533,6.517987770805129,8.43301851968346,1.7971012051670632,1.0777311664026026,2.344142853710612,0.1889115546848059,2.5890236038810497,0.125381204015147,9.16688692570913,-0.8113843804454562,-1.8129541411369767,-0.1889115546848059,-2.322676817923904,-0.0068568842642169,-9.16688692570913,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,7.883257489823623,8.661699214533664,9.431038192200845,10.18706091729448,10.925212228570048,11.641164829419846,12.33121392238442,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_18,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2184691470717732,0.9027810080597384,2.178878036278156,4.136851342806432,6.1268126889561865,7.475366450916442,8.188995728647168,8.523218896396614,8.648661504505696,3.424441965787804,0.7101301012286246,0.0236121635892452,12.58751535815652,5.770974363259786,7.400614049288836,1.7181523100053682,1.817925404670622,3.9590348200551033,0.3234258535322142,4.405332232928336,0.2025533297055249,15.558144093997392,-1.4163331306515203,-3.158119268365109,-0.3234258535322142,-4.003739958909234,-0.0238447677670248,-15.558144093997392,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,9.082814764594014,9.890436516890546,10.669949651960884,11.418115970465337,12.132538981899126,12.81165739733196,13.45468543428087,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_19,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217060287156079,0.9034321185555684,2.2473412035924447,4.355390933983231,6.403671104900447,7.737390917150048,8.428583945627688,8.749238086025109,8.869113473560219,3.596188955631087,0.7089007415959805,0.0232551998668175,13.807785848724963,6.52323807907688,7.9496842480932335,1.7967069558414666,2.107179921976665,4.634152577194923,0.4187139793025877,5.456891756397367,0.152606354087264,18.91017919593508,-2.0799598710492115,-4.5798662686277565,-0.4187139793025877,-5.4296717054699135,-0.140493431424547,-18.91017919593508,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,9.332885982881074,10.147455856440091,10.929928669470211,11.677961846964322,12.389848635761425,13.0645852413377,13.701845361128925,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_20,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.101083785529894,0.7106458070862041,2.149888339634172,4.206480327307069,6.087456667937378,7.30093256396673,7.931300432024861,8.224449055537473,8.334178337535345,3.489374979708722,0.5139969899749096,0.003667618673746,12.593304010672057,5.775719334888416,7.525854651348228,1.6452751731324011,0.7158601543491022,1.5264565478059091,0.0958097874703228,1.4823384541116846,0.1389144171784952,5.495496521151967,-0.2422377203541257,-0.5818876465680282,-0.0958097874703228,-1.008716020116708,0.0718475659492693,-5.495496521151967,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,7.645385512474925,8.451276060857632,9.242352097996116,10.015765395728348,10.768034026573922,11.495646503654026,12.195507682329028,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_21,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1014950935417822,0.7102485944210535,2.1698900954430256,4.329528181230943,6.318250457062402,7.586667898338262,8.238999438985433,8.540711496350013,8.653371692155556,3.570749527215785,0.5140298985850674,0.0036940416204991,13.757949204806328,6.168976857327354,8.248939221291563,1.6670335429142915,0.8825100347371005,1.8752140662874763,0.1115324407176144,1.7727381795293389,0.1832809968883503,6.637168325846404,-0.2315447593461203,-0.5763214389419433,-0.1112785180990297,-1.1244390916334972,0.105212097225299,-6.630820260381788,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0447,7.279312619537049,8.127158456560979,8.961887084508694,9.777195429252462,10.567825835038796,11.329535847758688,12.05911047433877,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_22,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1012946047296873,0.7090725310988643,2.1634874629737704,4.2633592260325,6.138731601689249,7.3163682890689055,7.918474771094273,8.196355927137347,8.300034273424806,3.5342721928538703,0.5131659817534396,0.0036684737213361,12.628494852874086,5.991985302158593,7.559926548004263,1.6663600790224995,0.8394712812417828,1.773953546379636,0.0967536654688958,1.61350060499295,0.1921515973984136,6.132429715586833,-0.1280653734471759,-0.3551611741694617,-0.0967536654688958,-0.9020946971983428,0.1244240315701865,-6.132429715586833,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,7.233007740096331,8.064592356068934,8.887703704609853,9.69531742261518,10.481367765397438,11.240869236203668,11.96998510176064,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_23,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0994303006102625,0.7033451837684287,2.134385078306584,4.179800224798892,6.002574164479551,7.14274013161371,7.7237541167803645,7.991403463488838,8.091180461479594,3.470098872621764,0.5084064943808383,0.0035518813791476,12.683031222387488,5.718918619879917,7.68262402558009,1.6223884619403726,0.7874441032511723,1.6612119134996106,0.0880425662026896,1.4917846328726891,0.1853328143167286,5.698071840309654,-0.0929815587757237,-0.2762105379249996,-0.0880425662026896,-0.7973220883972406,0.123703017974846,-5.698071840309654,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,7.632614333371648,8.429352776724095,9.217756028516405,9.992990599605957,10.749889529791949,11.48364868693803,12.190252146432274,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_24,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186775764909335,0.9165461975929284,2.173058250462411,3.951380643481429,5.676479422060204,6.823575277044899,7.4261835868329555,7.707594884239652,7.813096118070756,3.317852205643294,0.7191560730509964,0.0235023088979747,10.747453327657542,5.50617407129208,6.300823220152132,1.7317504160172432,2.173467782922436,4.749881029997824,0.3923854863008049,5.197917241858179,0.2138274211179376,18.374727672199647,-1.6787405604164292,-3.727103744353201,-0.378056182366968,-4.853647710657461,-0.060627479733618,-18.01649507385372,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0447,9.66175524911708,10.451359887295494,11.2060418755068,11.925511999592542,12.60957842683332,13.258197109432396,13.87155450804656,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_25,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178533230233345,0.9144297192455756,2.155655096436292,3.856679815226125,5.494012216620628,6.590255634093502,7.169544330039297,7.440904969997012,7.542776762692338,3.255086029640693,0.7174174474508661,0.0232544866758847,10.335448157483036,5.181069931140036,6.173250048117234,1.6901507295124143,1.8706308922184505,4.102676179951865,0.3607952008768095,4.756992499232925,0.1559397453931923,16.56905847862844,-1.737321116549645,-3.836809828846783,-0.3607952008768095,-4.623682723564119,-0.0966168952205739,-16.56905847862844,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,9.538283240138478,10.32833552043021,11.085684188657869,11.809019616506152,12.497554487342496,13.150904295443748,13.769062939945796,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_26,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167153782672304,0.9141653982345186,2.2192651273933155,4.113888372821057,5.938833091473445,7.140687245466839,7.768720009941868,8.061286128294698,8.170856957741627,3.438852573101708,0.7154724908722544,0.0232637926022596,12.00850098535174,5.900355526481299,6.96247815723608,1.7846009342375058,2.6260144729012684,5.774197263427916,0.4337816546050017,5.131989130676951,0.2068273379975662,18.94300342500914,-1.1091279612335423,-2.44517789029231,-0.3132468322219603,-4.88071825403116,-0.0950117978901891,-15.929632865433106,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0447,9.5199681640654,10.30698987594388,11.064450380488728,11.790184446687864,12.482522872188042,13.140358819534582,13.76316537382169,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_27,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2177445372566517,0.9148019114809114,2.17380568763802,3.9740281359234175,5.778039398601147,7.0099939141163805,7.666277375710187,7.974714464421503,8.09065518403432,3.326958690415326,0.7173532958432074,0.0233017648628215,11.090560398472684,5.443771805521283,6.573078886278079,1.7244091309137222,1.8785365249116783,4.126950835892566,0.3690473588374114,4.83091539561097,0.1439849557655502,16.773629801306623,-1.8119370634624363,-3.99412819995127,-0.3690473588374114,-4.764315934161729,-0.1143481954206375,-16.773629801306623,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,9.63854147940826,10.40401163824728,11.142082348986364,11.850929160552507,12.528878498050736,13.174640854003275,13.787429220209454,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_28,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1566988290875281,0.7772861484051329,1.8583589178779216,3.4774471361990567,5.181999111092998,6.365387348942178,6.99886893406902,7.29706581415317,7.409220631036135,2.8821477321337774,0.6018889568906183,0.0097934836078122,8.72246077607987,4.056647523698588,5.222463288294811,1.209992028427867,1.5728359921224124,3.181972666193777,0.0438280960460561,1.923460760490862,0.6177343364081183,8.740741881533186,1.134555031661851,2.217512622090368,-0.0438280960460561,0.7839302632934012,0.587054669175879,-8.740741881533186,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,6.69528107049521,7.507432980111663,8.311825397244675,9.102178817293368,9.8735101571483,10.62171409834184,11.343451710070012,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_29,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1550487294251188,0.7844807860506141,1.973490870408393,3.7664269477740913,5.537693816883814,6.712242054460938,7.326890420312561,7.613302300810306,7.720574105710802,3.119513921592781,0.6031643726161086,0.0095999341113545,9.728035619633197,4.980195155574139,5.431662788764016,1.336847103937951,1.8062730151857205,3.7065016898383294,0.0949123535533903,2.49784171355805,0.6154067385162931,10.728538323396243,0.8994808109360621,1.7110582911923369,-0.0864460872965412,0.1190163168668165,0.5490950850227727,-10.516881666975015,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0447,6.661922950765519,7.435679869298361,8.210597309239468,8.97923126451781,9.7352132786005,10.473131991641331,11.18852890867449,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_30,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1544263115738452,0.7888954021602306,1.9385516970188368,3.472388368984164,4.925026228880617,5.897938643440706,6.413613229230357,6.655639812346277,6.746580597694473,2.9348627841372643,0.6056035493484715,0.0093472916072426,7.607282288026597,4.39174673924679,4.200065899202383,1.276505677846064,2.1222860791810496,4.409280453842536,0.137763560450915,2.8520586226200413,0.6288058010985698,12.261329282548823,0.9773604372771056,1.8898120426995275,-0.0912215679298738,-0.2411030276328173,0.533069438670745,-11.097779469522797,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0447,6.869852710691202,7.616459735788164,8.366088913816071,9.111978941355252,9.848114433134182,10.56913511047922,11.270417849439877,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_31,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1553346434338752,0.7729454862126853,1.8355652430644684,3.3128561193368142,4.75230692841885,5.712958121798667,6.2186207952416845,6.454981854594062,6.543629206269221,2.785988776774809,0.598364627213855,0.0096298495484524,7.681902935231101,3.885271473089417,4.561090059730104,1.189714176714749,2.1080278585477243,4.390454383484316,0.1398862884223654,2.775067456397428,0.6062121767483204,11.995839517271056,0.9916966677798325,1.9339095489776508,-0.0833799497312128,-0.2686594863269728,0.5091393699330319,-10.58318104999224,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0447,6.67361933591261,7.465939207119952,8.255120369217398,9.034306962111346,9.797841588941198,10.540970063682472,11.259778855501608,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_32,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1269376973161246,0.7147655893463529,2.030417993530609,4.134728746903472,6.214348695615515,7.5903769862543395,8.309928154008404,8.645146687446093,8.770689302989213,3.3737084252047054,0.5354331409950733,0.0076813656746503,12.824612284473568,5.709395311177156,7.507051197270595,1.4764793147581254,1.1839531807489538,2.439373548197057,0.0758057847842218,1.7903994590227286,0.3847233189628687,7.435881599429206,0.4258953329067359,0.7712278350121682,-0.0758057847842218,-0.1805509453670384,0.3316592696139134,-7.435881599429206,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,7.026401894375022,7.894024767635463,8.744111262496398,9.56915566097116,10.36423152742571,11.126163825551664,11.85301646053483,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_33,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003772274121492,0.7195578028139766,2.2177472686620354,4.424178705003536,6.478560658263734,7.805794454976816,8.493618550596105,8.81292634232416,8.932345481170145,3.6475457014400345,0.5181264440882273,0.00360900210398,14.139887283803814,6.376461487103864,8.340141653869045,1.7663740794124358,0.8097959290420622,1.71566583163369,0.0976220604539758,1.5907724126738685,0.1773178250725129,6.001420854289828,-0.1664246754976961,-0.4325583721274837,-0.0976220604539758,-0.9474011591295026,0.1089823827547299,-6.001420854289828,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,8.035695164250194,8.808565288909435,9.569141906979944,10.314811098498827,11.04207380821986,11.747261553400492,12.427055486729452,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_34,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005504269023935,0.722974656070716,2.2369866314635733,4.452523645843488,6.491917352428975,7.800122403582265,8.47592121146332,8.789226296390316,8.906337712008844,3.675788364005824,0.5200121943035597,0.003619592508831,14.32748777309762,6.520853132515339,8.432911693682628,1.7971155328317194,1.0758796895517542,2.340190009273203,0.1886590337781999,2.585151959777354,0.1250307735164057,9.15257912332277,-0.8107106482302453,-1.811350131713652,-0.1886590337781999,-2.3199829184558447,-0.0070305501283341,-9.15257912332277,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,7.881153237565133,8.659629340789605,9.42897869771339,10.185006224242816,10.923167797602083,11.63914132496918,12.329223364182557,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_35,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2184840223042083,0.9026535518106444,2.17778871349344,4.13259347359491,6.118876011744959,7.465025364249305,8.177431547972084,8.51109423414648,8.636328516026303,3.4214591862821084,0.7100571135480502,0.0236280076962623,12.561340489898525,5.759708748045437,7.388061306337118,1.716514590574571,1.8205102158692976,3.96465153247196,0.3238736612186366,4.411499505618391,0.2028639312768936,15.58002430371922,-1.4182263963170685,-3.162356796947972,-0.3238736612186366,-4.009215686066161,-0.0238476315761517,-15.58002430371922,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,9.087279330738694,9.894127633485606,10.67301988744182,11.42068798537631,12.13471420726703,12.813520527900838,13.456307448190124,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_36,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217058975848476,0.9034608729470656,2.2479692380917773,4.357422236032729,6.406962542869983,7.741393655172363,8.432920743325868,8.75372205647805,8.873651216250515,3.5977122162545085,0.7089053361845468,0.0232564140708576,13.817282869267022,6.530932800017316,7.951625578332375,1.79736693703461,2.108793584998176,4.637721293360922,0.4190539443068545,5.461225139453011,0.1526869997488359,18.925046811127967,-2.0817458580703687,-4.58377865916245,-0.4190539443068545,-5.434177412525205,-0.1406507612659618,-18.925046811127967,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,9.329688617034028,10.144864245592858,10.92780656609403,11.676206259622624,12.38838255696413,13.063350933473904,13.700799088095415,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_37,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1010627254652294,0.7105111300066971,2.1491661072045414,4.203781994381319,6.08176460379168,7.29285176080717,7.921872717852555,8.214374326929144,8.32385833630719,3.487531140727364,0.513903406453822,0.0036665831899423,12.57717341212451,5.767595948720024,7.519198143086545,1.644382324768937,0.7161949585291885,1.5270616259221297,0.0957490328701393,1.4821872214903036,0.1391773199139774,5.49595545004873,-0.2412953701722055,-0.5799456318823807,-0.0957490328701393,-1.0072876331333207,0.0721529969048799,-5.49595545004873,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,7.653479944821536,8.458813170202323,9.249467543868448,10.022539744269077,10.774515195797566,11.501863112980487,12.201477154947764,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_38,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1014811675835753,0.7102018449743567,2.170060931005596,4.330555173526226,6.320263529982584,7.589324429912505,8.241982535383798,8.543843954151045,8.656559610033685,3.5714334844687747,0.5139874314744998,0.0036932193968892,13.763000921101742,6.172344294358122,8.250159585410668,1.667360581286225,0.8835322903597487,1.877580899951782,0.1118570100501363,1.7764271963512903,0.1831381383671127,6.648979416273122,-0.2338120761356471,-0.581193480428394,-0.1116118632489427,-1.1292810235397224,0.1048419085340352,-6.642850746243282,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0447,7.2855214397523795,8.132802037168851,8.967029876291232,9.781891441620928,10.572123907769418,11.333480582935842,12.062742081426164,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_39,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.101377487232948,0.7093761259361057,2.163689793900057,4.262396246607324,6.136109939817178,7.312476988598971,7.913875612948882,8.191417701248422,8.29496761074599,3.533811346460977,0.5134185216369251,0.0036740019668722,12.62063888406755,5.988809115725448,7.556724654161341,1.666763896384681,0.8378384779286908,1.7702173906391006,0.096288321337345,1.6081450486274504,0.1922975201707455,6.114958816390356,-0.125044735444759,-0.3486571903162713,-0.096288321337345,-0.8953513061435189,0.1248956952346041,-6.114958816390356,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,7.2418794946906,8.071128468385048,8.892268180196648,9.69821264600429,10.482857706229568,11.241187789035854,11.969338823756384,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_40,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0993855468262945,0.7031721006872498,2.1340033233503024,4.179640240546913,6.003215723336383,7.144108652422131,7.725546081716656,7.993401028709392,8.093256269071567,3.4697745127061403,0.5082679471748777,0.0035490717084341,12.683729571396512,5.718011695658634,7.683141835918637,1.6218605706715814,0.7882857235654405,1.6632351979483342,0.088376994554464,1.4953016800011532,0.1850802821970008,5.708968508916484,-0.0954842219792002,-0.2815465232598163,-0.088376994554464,-0.8025001784149131,0.123216386008876,-5.708968508916484,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,7.637769306077777,8.434472877500815,9.222853764983336,9.99805758683663,10.754909253471554,11.48860252889726,12.195122252741582,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_41,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187120021148548,0.916689613991002,2.1733782083771853,3.9513968088011904,5.675831585561454,6.822459836106023,7.424833202309836,7.706138649255412,7.811600906312516,3.318048812669118,0.7192686205511315,0.0235023773796876,10.745627503470551,5.503374491773946,6.303212437056759,1.7322233815842472,2.177203990096727,4.758310404150008,0.3928036853724895,5.199124544102299,0.2138017881696677,18.38433277504084,-1.675514783019203,-3.719797597467799,-0.3777400692506963,-4.855603306303602,-0.0609348373492478,-18.007742371996013,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0447,9.665969551161776,10.45527399097597,11.20957643556646,11.928628983051285,12.612272566318255,13.260485405570533,13.87346724151138,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_42,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.21779043661948,0.9142117457561004,2.154915557051338,3.854295572290638,5.489462481007608,6.584169657957727,7.162647809520914,7.43363137085334,7.535362168400699,3.253388564572343,0.7172434435920281,0.0232487713462993,10.322718328869168,5.176395409218407,6.1658967959744,1.68911810976112,1.8682471415786128,4.097771197737567,0.3606487918936389,4.753437476727724,0.1551534932019094,16.554211545765842,-1.7382407773577768,-3.838493005253743,-0.3606487918936389,-4.623431112506887,-0.0973006611236375,-16.554211545765842,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,9.532956684847592,10.323127085025474,11.080658384457,11.804213574490902,12.4929886842647,13.146588116931616,13.764998022384871,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_43,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216789905203669,0.9143052753114858,2.2192120804761704,4.112745805495923,5.936150321325181,7.136919336097015,7.764384995302485,8.05668864811745,8.166161561455471,3.4381889035546447,0.7156085638603209,0.0232766774392382,12.00084061076632,5.897115676784582,6.958983017928044,1.7843207845103108,2.6211847617401705,5.763294619444005,0.433238958947599,5.130454833625129,0.2068710497444406,18.930673238555823,-1.1133038279259249,-2.4546417155229,-0.3136587589856199,-4.8781659994116655,-0.0946025185194487,-15.941168239506352,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0447,9.520332433733971,10.30767819630578,11.06522774554722,11.790910971381765,12.483122602473829,13.140796928752808,13.763432405896454,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_44,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2176854463969674,0.914564499555188,2.172820346071765,3.970942340807667,5.772369765350066,7.002545974854705,7.657901895319378,7.965909322284813,8.08168964185906,3.3247259193421064,0.7171762010559765,0.0232956765834471,11.073617508866224,5.437671885348138,6.563395182176449,1.7230162744392126,1.876909410259983,4.123328469744055,0.3686813778644796,4.826360433175821,0.1439471040697933,16.75817460858951,-1.8099043683848124,-3.989696964480308,-0.3686813778644796,-4.759355391300649,-0.1141298604353421,-16.75817460858951,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,9.636036800658118,10.40193380303134,11.140334155663288,11.84943621973319,12.527586771760715,13.17351245469609,13.786438398452688,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_45,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1566776144700172,0.7771678395587183,1.8577545579789496,3.475013925175875,5.176839739120741,6.358152623320699,6.990497564014716,7.288156100033388,7.400108068885614,2.880514959040791,0.6018057964802581,0.0097916592693392,8.708751323615912,4.050918837308276,5.215661943217429,1.209198735789954,1.5749065406036271,3.18614721647031,0.0438718899113167,1.925881659894161,0.6185736169848955,8.751970501244474,1.1361876414904608,2.2207234655890336,-0.0438718899113167,0.7852125221999272,0.5878632940469739,-8.751970501244474,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,6.7077394635428425,7.518717039269138,8.322093477754962,9.11156928919212,9.882143510122456,10.62969348862063,11.350863949219256,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_46,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1549995206061951,0.7843177526411572,1.9728110924296385,3.76483361325319,5.535666929288061,6.710162149536461,7.324844098987831,7.611284477369026,7.718568949758349,3.118201910165085,0.6030351864961998,0.0095956983106424,9.720477438685585,4.976974560735729,5.426379980134651,1.335896506552991,1.8065757328933,3.707178537668802,0.0951135558809737,2.501196823494262,0.615386245407548,10.738359192634457,0.8968697718628292,1.705323265711279,-0.0868276363251203,0.1152465259254053,0.5489310450842042,-10.53121120373812,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0447,6.685084808566966,7.45650396712781,8.22940508959804,8.996275963545427,9.750705343018192,10.487251427897345,11.20143177581228,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_47,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1544606456862143,0.789116444295137,1.9391638878073127,3.472489075777165,4.923833209695116,5.895740471352664,6.410876873420892,6.652652673283458,6.743499703534261,2.93528502724277,0.6057575167611119,0.0093489307021711,7.604132632686496,4.392831651687438,4.197515034426897,1.2773988008028738,2.124229697640546,4.413685085104715,0.1379518679312496,2.851918611701433,0.6287650976182824,12.264155447078805,0.979664786696244,1.8950104811964097,-0.0909611142576108,-0.2414270409378499,0.5329036513715123,-11.089386605237832,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0447,6.873737387692549,7.619377685558992,8.368178882417332,9.113379715955356,9.84895165176362,10.56951719957142,11.270436017145316,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_48,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1553357529118167,0.7728574338804635,1.835024737855212,3.311945624070679,4.751498396406601,5.712343719857295,6.218129131180477,6.4545506741248,6.543221113440886,2.785140562335485,0.5983154136253176,0.0096324061799462,7.677465050844372,3.883397217637473,4.559225078656445,1.1891441796544835,2.10698207573402,4.388275446443432,0.1398240729575607,2.77383690425295,0.6059116230289572,11.99029537724482,0.9910774431218852,1.9326692753395327,-0.0833568535648662,-0.2686831890203376,0.5088817802495553,-10.578614892427456,21.0,46.922495,2.0,2.0,0.8900000000000001,50.0,-5.0,-11.00276,-1.0,-13.0,-0.6699999999999999,-45.0,RSM0447,6.678234526043372,7.469441253247687,8.257824377660246,9.036436999747709,9.799557590388188,10.542386345391844,11.260977115964618,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_49,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1269391090226209,0.7146645597036915,2.0296377636730027,4.132668549690311,6.211076030476423,7.586313114461959,8.305450925940782,8.640476747054564,8.765947154298571,3.37210427187612,0.53537950588637,0.0076839786392565,12.814730546272948,5.704434149775172,7.502898411834628,1.4759011759920957,1.1848994574163911,2.4414742507397795,0.0760128590812889,1.7930023300667026,0.3847561477728773,7.444754468707735,0.4247708666035019,0.768771759969294,-0.0760128590812889,-0.1833320060468094,0.3315471464159752,-7.444754468707735,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0447,7.031370632040635,7.899176021200255,8.749291639041594,9.574257027952951,10.36918081176205,11.130914383042176,11.857541109212786,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_50,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0731308981361197,0.4006560714995501,1.417011848989291,3.349506761600101,5.339802275235432,6.665831715864761,7.359776311282261,7.683048103221128,7.804106201390051,2.633436049582672,0.2920666595913746,0.0053323260353076,9.678436226046756,3.1222033636506903,6.008889577209849,0.6715624380347599,4.462622999982971,9.733633871974924,0.4225406943161649,4.102647526547548,0.77348747840143,17.637738714958928,0.6134998236834638,1.7367459546627484,0.1117880239645123,-4.102647526547548,-0.77348747840143,6.761395252651086,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,14.947847189500251,15.692146931256612,16.357035472251564,16.954108280180666,17.49289483878705,17.981161318259595,18.425241734021657,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_51,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0734905987938101,0.381660411516568,1.2641044431694366,2.851264089797136,4.457597388242712,5.523121697298105,6.080056713978096,6.339400978615815,6.436506304280142,2.2687137417517818,0.2817429356244725,0.0055039186600826,7.462836892900306,2.179098181077656,4.720073918572304,0.3550476985184557,5.9319191340382185,12.84380318064724,0.7006281326233735,8.800732035233766,1.0186910073158926,26.23933047045179,-2.218488345749833,-4.452662327433455,-0.3097406812245963,-8.800732035233766,-1.0186910073158926,-9.12357801422716,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,15.653176334183335,16.32204077541253,16.915251398278595,17.446600338859444,17.926359621990187,18.36228198099253,18.760314415668965,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_52,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0632003673952052,0.3780037177549955,1.2311585171954935,2.769036909619892,4.400484829833929,5.518289454796271,6.111966623636347,6.390407537422759,6.494972524620769,2.196107286016144,0.2754851505281481,0.0038180796042137,7.310680130111311,2.0795556265029163,4.827883901862745,0.4176087415733027,7.38807710745862,16.42747024522526,0.7401035589414652,4.568041775522609,0.918213830450052,26.014305782958434,4.474523768676159,10.37813365913216,0.5085912701253538,-4.568041775522609,-0.918213830450052,17.91137567439453,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,14.772533116444263,15.55599780270914,16.266716085502935,16.910961627270584,17.49490527054581,18.024363812803085,18.504701695288627,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_53,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0591178669900979,0.3823836311363505,1.3911208915406583,3.248992183512846,5.1259839468787645,6.35962746372735,7.000486506396243,7.2980015508171325,7.4092527019952765,2.565280892386136,0.2718468085236584,0.0034314627253689,9.294024913213514,3.1659274627038854,5.385510097933648,0.4875625508924483,7.580845611223505,16.88388066408215,0.7926606617471635,5.014198470953499,0.8866858595861069,26.769312513308385,4.508491263826421,10.434072550619645,0.4799011145738814,-5.014198470953499,-0.8866858595861069,15.822728362243511,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,14.295158840365144,15.177099182955187,15.9641463040682,16.66863072848999,17.300741273506056,17.86906376382064,18.38095065217104,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_54,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0655041512369711,0.3657727737912088,1.1700220059762576,2.746470910986305,4.509784784823903,5.7345743559207545,6.386497057416039,6.692283386779972,6.807103955103868,2.143802046234675,0.2697488255877073,0.0042704474062564,7.742993657853934,1.824564341154226,5.034219848181249,0.1959123371277754,5.473078544977302,12.03727189265084,0.4979301586852738,3.7358238853060968,0.8593441657947452,20.21452281344476,2.2907230731594503,5.506384270178192,0.3193121169080684,-3.7358238853060968,-0.8593441657947452,13.962891351242565,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,15.262586894519352,15.977830098819656,16.624196848469083,17.20990738243979,17.741866827661365,18.225928239312648,18.66710788593896,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_55,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0708341717299647,0.364198570465436,1.1843077188723177,2.7355938629002288,4.371575349702911,5.482460102178539,6.069781131527627,6.344687513130355,6.447840122241014,2.1569023558885707,0.2711423627989713,0.0051112084568336,7.506114459654988,2.0960753258835374,4.757164921711388,0.3652159156417092,5.953569000465126,13.226335190801963,0.5910802055730678,3.6949553082173177,0.7562443185311308,21.033775831285187,3.529134670950207,8.201478255213468,0.4070991282601252,-3.6949553082173177,-0.7562443185311308,14.594438125332196,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,15.295248395549502,16.011636876121162,16.649483775956043,17.221813450367662,17.738523046867893,18.207279934375503,18.634145157891325,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_56,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0659589447834321,0.3604023640341959,1.1609698586592392,2.7138130920884143,4.4002598014801295,5.5496688794697056,6.15593489495424,6.439166329690336,6.545342256235419,2.125911872800616,0.2663966468722537,0.0043854731010633,7.425425608522024,1.767946129206816,4.807751559126611,0.1909165200595609,5.717095943844775,12.539778383630232,0.5689800468459121,5.087753535783388,0.895312255317832,22.109001240688016,1.3145092614227254,3.349353006048069,0.1711889221296142,-5.087753535783388,-0.895312255317832,8.186311875617593,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,15.817952581465768,16.48013648000178,17.076559973747496,17.61668659222726,18.107761642064148,18.55551529819614,18.96462266153741,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_57,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0635812988162164,0.3817775586311741,1.2402747806665,2.6188678885363057,3.932024856519729,4.784922991478647,5.227818508432758,5.433611611039563,5.510607079476431,2.1271313612129368,0.2771107481619714,0.0038985523897105,6.059481111379435,1.7916026724031633,3.979308451430738,0.4059347257802337,6.265376189701602,13.706684960556258,0.6900721453961949,7.087896416019508,0.9665146651422596,25.454309777443445,0.1105582245970712,0.7008445698092319,-0.0189211544173872,-7.087896416019508,-0.9665146651422596,0.639544283968067,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,14.690651949805218,15.46194163658169,16.16539967561703,16.805873903696263,17.388500716392905,17.918357192902093,18.400280122279312,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_58,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0789844711222455,0.3651099777869606,1.251541689600552,3.1630568266706933,5.269776797667749,6.714094858185172,7.478885443842552,7.836910149751557,7.971246541241843,2.4329152256221453,0.2757607324038413,0.006451645076804,10.268249302926428,2.67061475356844,6.499628293990192,0.3081696682680515,4.6600340608636905,9.884882807159844,0.5733638644400584,9.246944976384157,0.9986579112592324,23.300170304318453,-4.6600340608636905,-9.884882807159844,-0.5733638644400584,-9.246944976384157,-0.9986579112592324,-16.835300206485638,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0447,16.045039164608234,16.696532869187976,17.2644401077036,17.76515780710619,18.211509793563746,18.61332348192351,18.978055594158825,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_59,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0730865930225697,0.4005036045409594,1.4167047155309265,3.3491320852803126,5.339018277408395,6.664590896956829,7.358248557737711,7.681376763407102,7.802379562067906,2.6331158251722835,0.2919533789164857,0.0053255973445218,9.67522571071655,3.1205760229274864,6.008262545506533,0.6713630664129194,4.473888665205238,9.758396961127492,0.4233107855265225,4.105962307009888,0.7754717417122553,17.676427523016777,0.6213856352049835,1.7552589484820251,0.1130338776745533,-4.105962307009888,-0.7754717417122553,6.816735748197855,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,15.009910953476382,15.747416415795811,16.406556244291743,16.99873348970463,17.533322966791854,18.01796633404435,18.458897547021422,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_60,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0735046124112111,0.3808651182104495,1.2606804975714616,2.8460883103795407,4.451913509483831,5.517294093823477,6.074171752654598,6.333490369319621,6.430586089359132,2.2639374701001405,0.2813114600305725,0.005508475742938,7.449226597482755,2.168236228388244,4.711375939663727,0.3503532778023954,5.93586777580359,12.852897047783634,0.7012690349984628,8.804562306483227,1.0186572688399846,26.25251669238287,-2.2153179731712163,-4.445669547072644,-0.3096322136687393,-8.804562306483227,-1.0186572688399846,-9.129027010969205,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,15.865444688782734,16.509044096597012,17.080974720126495,17.59429763450888,18.058692517752625,18.48143683577044,18.86809710396533,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_61,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0632360872435607,0.3779483450351418,1.2309579636057828,2.768480742358124,4.39888076401254,5.515606309010365,6.108610669141657,6.386714694281863,6.491149830541187,2.195749718834504,0.2754669540825878,0.0038242104825836,7.305611357412633,2.077596468963064,4.82481446177084,0.4169519298966422,7.40111431687952,16.457135806078405,0.7412690889371554,4.567252931925657,0.9192297459206936,26.05055396383372,4.4929048140184085,10.419463093503165,0.5107329248415738,-4.567252931925657,-0.9192297459206936,17.981788220488365,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,14.810011095650022,15.587151731336457,16.29310990863069,16.933671010259133,17.51469311565151,18.041786923727628,18.52017719221915,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_62,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0590531248309091,0.3822898741519292,1.39058942222029,3.247210591649372,5.123007662222277,6.355924061178054,6.996421317382938,7.293771789302435,7.404961929286597,2.5639606249226587,0.2717566421000116,0.0034231748430161,9.284298071321286,3.162860893319128,5.379856090008292,0.4870892089191994,7.590759234186589,16.90581986115727,0.7938075228039954,5.024024174931558,0.8879066455589126,26.807302118824204,4.511148593817188,10.440539601811643,0.480077511722718,-5.024024174931558,-0.8879066455589126,15.8267517309795,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,14.18878467325704,15.081528993802523,15.878416803713527,16.591694860428362,17.231581951476038,17.806745403239233,18.32463765519352,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_63,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0655090185780176,0.3658868814622749,1.1709681320125114,2.7495413323312943,4.5148616466010845,5.740788662561657,6.393241830949622,6.699260496613197,6.814165695622668,2.1460814358459666,0.269815423857591,0.0042704336533621,7.757453425941179,1.828625580741254,5.043573255758918,0.1968489158233639,5.476790561986879,12.04537826184247,0.4984470785795293,3.742070107548552,0.8598469446664903,20.2310814560912,2.2891840507571675,5.503188159144752,0.3190239332882651,-3.742070107548552,-0.8598469446664903,13.951271370896944,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,15.569288056850828,16.250443350140436,16.866782721021263,17.426261670353803,17.93539618388813,18.399619859000776,18.823546494523097,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_64,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0708656364446046,0.364279758655421,1.1845302467231231,2.736726998785025,4.374248325928789,5.486316614704494,6.074281131374797,6.349490537900121,6.452757002630898,2.1576064211116086,0.2712116309528984,0.0051156773745136,7.512646909942825,2.0980119953749097,4.761573406427944,0.3660065019367538,5.945267507873966,13.206303188220422,0.5903333534485674,3.7061111127769255,0.75680707345406,21.02405851101285,3.5029211514850336,8.143517602424005,0.404212821220801,-3.7061111127769255,-0.75680707345406,14.509839883041026,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,15.407633253686113,16.108285888643756,16.733409930024134,17.295318833819547,17.803393849087005,18.264921774228025,18.685678394258968,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_65,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.06595974826641,0.3604036681063211,1.1598356754866297,2.7094041284889694,4.392961722750742,5.540824138487702,6.14638983186785,6.429318571883542,6.5353848377900805,2.12270114002766,0.2664141707931954,0.0043852547397846,7.406080775961599,1.7613942415016743,4.795397648646222,0.188905323541185,5.711466758380536,12.526797262945555,0.5684909335293419,5.08996243447664,0.8950442433162512,22.095544051729387,1.3041906738076054,3.32629736778034,0.1699993224904624,-5.08996243447664,-0.8950442433162512,8.148337665368608,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,15.859675312718512,16.518899618916215,17.112396116732327,17.649748695339426,18.1382531333828,18.583653484247204,18.99062026705228,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_66,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0635780549481737,0.3816744367138884,1.2390123377833755,2.614854071810715,3.925095392295941,4.776061745016483,5.217954695841719,5.423283105279816,5.500104963035076,2.124157788710199,0.2770683423518584,0.0038978913543378,6.042153643595915,1.7864808566728654,3.969703428411929,0.4055869839070951,6.271110298882112,13.720243497836742,0.6909147653340698,7.088585783358711,0.9661626445323626,25.46824819666561,0.1208189958124052,0.723429238632147,-0.018080102734647,-7.088585783358711,-0.9661626445323626,0.6534278142605199,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0447,14.717510299864584,15.4859537486494,16.187046439579433,16.825512114860416,17.406406271754125,17.934750566052895,18.415342015386063,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
RSM0447_67,RSM0447.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0790063253148704,0.3650264161080184,1.2503857316841238,3.160128434295608,5.2654444894772565,6.708926593288363,7.473295396022264,7.831126057163474,7.965390109883779,2.43057602752136,0.2757440969987472,0.0064553186917414,10.25577531462184,2.66462749877779,6.49527707224016,0.3084142982827852,4.659398910738182,9.88337475305597,0.5731297809189777,9.24443715809,0.998814176055408,23.29699455369091,-4.659398910738182,-9.88337475305597,-0.5731297809189777,-9.24443715809,-0.998814176055408,-16.822090110637525,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0447,16.06114768498529,16.71107385236106,17.277615396631507,17.777142246845745,18.222452152728827,18.623349705932096,18.98727242812151,"O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-].[Co],rna.cat0","linker O=C(c1ccc(c(c1)C(=O)[O-])C(=O)[O-])c1ccc(c(c1)C(=O)[O-])C(=O)[O-], nodes [Co], topology rna"
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RSM0200_44,RSM0200.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0575090237414012,0.3852563742953167,1.4691520065434396,3.464974123317538,5.47440474315123,6.803125569876432,7.497192596732132,7.820385890880456,7.941402812006245,2.7331042791383653,0.2710061756991241,0.0032289924717144,10.820968339614463,3.757457750041876,6.205368949609101,0.5035320484542207,6.904794210034474,15.124932708468172,0.7696262554025972,7.788464771278663,1.0316791952855444,27.932296697701624,0.2518808012194686,1.0468155975738995,-0.0162920436916561,-7.788464771278663,-1.0316791952855444,0.4251562294027583,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0200,14.585241778548951,15.470082217961124,16.25227863556938,16.946910360344123,17.56602542212614,18.11947189741216,18.61546535262377,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].c1cnc(cn1)C1=NN=N[N]1.c1cnc(cn1)C1=N[N]N=N1.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], c1cnc(cn1)C1=NN=N[N]1, c1cnc(cn1)C1=N[N]N=N1, nodes [Co], topology "
RSM0200_45,RSM0200.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0604957871001145,0.3783761529008518,1.4691575281894749,3.693191748591238,6.053882910624925,7.638083169864624,8.467998017237791,8.8546026887283,8.999363848886391,2.8562795509440697,0.2690354191916959,0.0036563783238627,12.15958787671626,3.985284405534089,7.110495619109692,0.5884019516092481,7.143899724432978,15.82995660804845,0.6994189667380102,4.63994618533671,0.9488408373879011,25.59536703091446,3.848014574638927,9.008179980052692,0.4576246436906112,-4.63994618533671,-0.9488408373879011,17.13256572425549,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0200,14.605943405081415,15.4207365019836,16.149280428573135,16.80333754389329,17.392326472446122,17.92399507621254,18.404865104580978,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].c1cnc(cn1)C1=NN=N[N]1.c1cnc(cn1)C1=N[N]N=N1.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], c1cnc(cn1)C1=NN=N[N]1, c1cnc(cn1)C1=N[N]N=N1, nodes [Co], topology "
RSM0200_46,RSM0200.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0698932203114599,0.3729871435080259,1.201669279569203,2.650403536452513,4.108838483871966,5.079581860528496,5.588683044922684,5.8261924268122645,5.915195951567296,2.120992795284264,0.2755466950716706,0.0049332423583039,7.228745626942375,2.0886033416096743,4.311130875503619,0.1715298088854429,5.4486796047439405,12.008164317852454,0.5612442730238053,4.64309579957527,0.7641806368101773,20.623975537020808,1.738121952243428,4.231660142851568,0.1952611540274965,-4.64309579957527,-0.7641806368101773,7.814566372150002,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0200,15.051470629648964,15.790861611390628,16.447979899804178,17.036246037644993,17.566044512973125,18.04550956466487,18.481112370093378,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].c1cnc(cn1)C1=NN=N[N]1.c1cnc(cn1)C1=N[N]N=N1.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], c1cnc(cn1)C1=NN=N[N]1, c1cnc(cn1)C1=N[N]N=N1, nodes [Co], topology "
RSM0200_47,RSM0200.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0791161192299463,0.3642189834279894,1.1036278423041157,2.5447860330186174,4.128082639051831,5.222986488708687,5.805789932033767,6.079288375152543,6.182014543922042,1.998229140791845,0.2773034562818948,0.006450312082466,7.503839172308134,1.8223683570967368,4.805195167541816,0.1523908527712608,3.8299910111867774,8.119702719062484,0.467019847383719,7.565690160361032,0.823426059701263,19.14938051856452,-3.8293672277571726,-8.118293172226114,-0.4669541859700765,-7.565690160361032,-0.823426059701263,-13.539710648818328,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0200,16.643220912773003,17.157604271231484,17.620219876760938,18.03992428077891,18.423536873380783,18.776295653546168,19.10222616970076,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].c1cnc(cn1)C1=NN=N[N]1.c1cnc(cn1)C1=N[N]N=N1.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], c1cnc(cn1)C1=NN=N[N]1, c1cnc(cn1)C1=N[N]N=N1, nodes [Co], topology "
RSM0200_48,RSM0200.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0575289931950502,0.3853791983181763,1.4697161336747708,3.465981442781979,5.475469323483588,6.8040967663985485,7.498085955072191,7.821237401002472,7.942237815621452,2.7340051985805385,0.2710867342417563,0.0032311657710912,10.823836258497863,3.760012051176044,6.206613942975132,0.5044352127026683,6.904693069971716,15.124699791474502,0.7696260823959035,7.788658197105184,1.0316802541376648,27.932160934816377,0.2515802949312425,1.0461409249835922,-0.0163341492482236,-7.788658197105184,-1.0316802541376648,0.4235528272719315,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0200,14.56308766874697,15.449707806491771,16.233514971983517,16.92959963392962,17.550025477826047,18.10465635364565,18.60172219149584,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].c1cnc(cn1)C1=NN=N[N]1.c1cnc(cn1)C1=N[N]N=N1.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], c1cnc(cn1)C1=NN=N[N]1, c1cnc(cn1)C1=N[N]N=N1, nodes [Co], topology "
RSM0200_49,RSM0200.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0605028761066482,0.3785177666239702,1.4695637697568456,3.6935467798120287,6.054031901654745,7.638089603784979,8.467933259130527,8.854505835397243,8.999255163666875,2.8566880589298704,0.2691246025283932,0.0036567153431022,12.15952819932967,3.9864890042468617,7.110303881359326,0.5891406410742752,7.145328845125109,15.833257948159352,0.699542105101992,4.639313309515968,0.9489040038736172,25.5987037550942,3.8507208085946383,9.014223190926147,0.4579368058158758,-4.639313309515968,-0.9489040038736172,17.14251828008013,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0200,14.614285765006768,15.427245730056804,16.15438267018402,16.807356453071534,17.39550768109715,17.92652528880866,18.40688667630438,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].c1cnc(cn1)C1=NN=N[N]1.c1cnc(cn1)C1=N[N]N=N1.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], c1cnc(cn1)C1=NN=N[N]1, c1cnc(cn1)C1=N[N]N=N1, nodes [Co], topology "
RSM0200_50,RSM0200.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0698837508759173,0.3729913322585343,1.201640840795671,2.650170698499854,4.10842631487293,5.079082914818684,5.588148322345092,5.825643122029783,5.914641512793349,2.1208370333016573,0.2755443208438436,0.0049317179222778,7.228319441687077,2.088322324137417,4.311014264146465,0.1714988709409396,5.449221675061463,12.009478122484914,0.5612674799028425,4.641859976387299,0.7641546293200807,20.624231452936183,1.7402446977986217,4.236367951818686,0.1955184540824296,-4.641859976387299,-0.7641546293200807,7.823015549221739,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0200,15.063324074643315,15.801959674776684,16.458329879198367,17.04587964563309,17.575005118006665,18.05384494759791,18.488870715663925,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].c1cnc(cn1)C1=NN=N[N]1.c1cnc(cn1)C1=N[N]N=N1.cat0,"linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], c1cnc(cn1)C1=NN=N[N]1, c1cnc(cn1)C1=N[N]N=N1, nodes [Co], topology "
RSM0015_0,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0075838469342332,0.2884566160062283,1.633429340262066,3.9826102394046665,6.129549875875652,7.454658835297467,8.12188961433893,8.427294729611123,8.540824668261141,3.149092063158668,0.1638273582195935,1.0916681672707e-05,11.802289929377032,4.981592697935787,6.469544991109905,0.7727365363657697,19.111960524238075,43.17357381724203,2.01599436060544,7.015994360605441,1.5401669928492543,60.5598026211904,-19.111960524238075,-43.17357381724203,-2.01599436060544,6.760084590918405,1.5401669928492543,-60.5598026211904,-19.0,-42.933795,-2.0,7.0,1.56,-60.0,-26.0,-57.925255,-3.0,-8.0,0.3200000000000003,-95.0,RSM0015,17.05271383855744,17.65904712622701,18.14463636874097,18.538405068833764,18.8614628641648,19.129379993366022,19.353777539420644,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_1,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,27.0,58.933195,4.0,9.0,1.88,126.0,0.0090454651852605,0.3106750497124456,1.7039004936066091,4.09826063462248,6.267844462067868,7.601541973648876,8.271899839985473,8.57849956261367,8.692437642818525,3.2519320971441816,0.178765173039549,1.6666699535269116e-05,12.42821536662222,5.327152042973838,6.751899421967861,0.8561463397903499,19.126463095575023,43.20463306268417,2.018066156510718,7.018066156510717,1.5375979659267087,60.63231547787513,-19.126463095575023,-43.20463306268417,-2.018066156510718,6.729007652339221,1.5375979659267087,-60.63231547787513,-19.0,-42.933795,-2.0,7.0,1.56,-60.0,-26.0,-57.925255,-3.0,-8.0,0.3200000000000003,-95.0,RSM0015,16.580077909941323,17.231628362449186,17.759405477209295,18.19139768042186,18.54855386075978,18.846647816542493,19.09765583644834,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_2,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1367810683094085,0.4993941321396223,1.3580901786330537,2.81325954978919,4.310472540289149,5.333167765276009,5.877523914739485,6.133262623896858,6.22938045619345,2.2801329281944827,0.3913891478006006,0.018789738906494,7.064283889615807,2.1710768244250995,4.280743635837139,0.2788687198131115,6.462109587741554,13.910010117613751,0.9831592791483312,14.20536740937118,1.015873634451196,36.554178891517225,6.462109587741554,13.910010117613751,0.9831592791483312,14.20536740937118,1.01401433675128,36.554178891517225,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0015,4.677547129621515,5.070652830654806,5.507061570142112,5.976045698613786,6.46642404041906,6.968060639339294,7.472564152162018,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_3,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1367315109368753,0.4993450243298371,1.3581748206810045,2.81348263577699,4.310738389841846,5.3334417506310094,5.877800092930105,6.133539709445498,6.229657885444901,2.280321233032206,0.391330061690629,0.0187761285170068,7.0649447905349145,2.171545979607007,4.281142265981102,0.2790099692891728,6.463663563995657,13.913151929945574,0.983172751907947,14.206623858068832,1.016485609919809,36.54749685686029,6.463663563995657,13.913151929945574,0.983172751907947,14.206623858068832,1.0146201360730982,36.54749685686029,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0015,4.676658323940158,5.069625110956284,5.5059244341354585,5.974828092035726,6.465152401980796,6.96675788746209,7.471249373312644,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_4,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1356380499043083,0.4935750408147318,1.3036387280240718,2.675252245906807,4.112535043972707,5.104341281445871,5.634505868784555,5.8840106325725445,5.977850093014762,2.169522038674313,0.3882794780957412,0.0184593612598382,6.538880168827913,1.8912401829671888,4.051843262084763,0.2397370187174357,6.058106163507369,13.05013848258339,0.9347078464028904,13.472872821190323,0.9348564441205158,35.1614813283584,6.058106163507369,13.05013848258339,0.9347078464028904,13.472872821190323,0.9338980271522846,35.1614813283584,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0015,4.705850357378587,5.083847701444737,5.508059350002598,5.967404267158138,6.450372686575373,6.946527051529404,7.447205512794778,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_5,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1369120235336325,0.499391793107855,1.3712940903741748,2.868073564895132,4.408725840780278,5.4579868699776695,6.015342323196728,6.2769208834844505,6.375190344165986,2.318878238184317,0.3911935339515197,0.0188418694853524,7.302325986950398,2.252578048256072,4.443906312792486,0.2984818888565189,6.393498248606649,13.77470610902654,0.981039017101568,14.067390958362234,0.98229881886939,36.76753260659686,6.393498248606649,13.77470610902654,0.981039017101568,14.067390958362234,0.979640999028522,36.76753260659686,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0015,4.669504968469938,5.065512583690812,5.504905102916781,5.976719275232228,6.469648227106248,6.973503204209569,7.4798851908338575,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_6,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1356154135976875,0.4935486851211613,1.3036011450677143,2.675210094080806,4.112511803485874,5.104334317691854,5.6345076136529935,5.884016411451122,5.977857375140744,2.1694774243235497,0.3882522573504021,0.0184530748787234,6.538829528428427,1.891174202318325,4.051807063458231,0.2397145737758703,6.058158379285809,13.050202571473951,0.9346874979535338,13.473031074643355,0.934953836868765,35.15969984898644,6.058158379285809,13.050202571473951,0.9346874979535338,13.473031074643355,0.933999516285592,35.15969984898644,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0015,4.704833888784586,5.082826809167388,5.507051442305023,5.966421033497659,6.449421675211923,6.945612829758443,7.446330522388245,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_7,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1369063327680178,0.4993776784365744,1.3712475037222216,2.867907559825886,4.408409592281135,5.457562490015421,6.014859115426187,6.276409759769084,6.374668683665238,2.318761263784393,0.3911818847036429,0.0188403366175907,7.301550012473323,2.252150788256768,4.443541247061718,0.2984101585025259,6.39366160704188,13.775058865267091,0.9810535493403576,14.067501687066908,0.9823216465448634,36.76779338815056,6.39366160704188,13.775058865267091,0.9810535493403576,14.067501687066908,0.9796612531780394,36.76779338815056,26.0,57.925255,3.0,15.0,1.2399999999999998,95.0,0.0,0.0,0.0,0.0,-0.3200000000000003,0.0,RSM0015,4.669143690155397,5.065128877954439,5.5044963789845935,5.976286360491904,6.469194080880699,6.973031919102146,7.479401278893832,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_8,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2686785123693049,0.98089420779845,1.9144358805047568,3.2388573656100226,4.663529132406302,5.658015712588193,6.190409469214864,6.440900992521287,6.535086320935402,2.7474956436901703,0.801818188201549,0.0281283418181173,6.58659661934576,3.785903584024432,3.570622642810984,1.1720543849836655,3.098509943367614,6.55875876251124,0.3678387764968712,6.041220155342584,0.6891392188669548,22.849325246775496,-0.579877821601098,-1.5357247904661888,-0.3678387764968712,-3.5225880335760675,0.4316520753191452,-22.849325246775496,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0015,9.642840117202082,10.129386193295376,10.634367263437476,11.1542130984572,11.68307588549644,12.214446414078608,12.742130472084868,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_9,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2686660352821378,0.980901205366277,1.9144964077434312,3.23902108543079,4.663795135643959,5.658347157727241,6.1907741330777775,6.441280868764692,6.535471849442476,2.7476215535950432,0.8018195166211652,0.0281201305291782,6.587556679857277,3.786244963983702,3.571145506276065,1.1721723657145098,3.097417180646357,6.556273108144901,0.3675416862327615,6.0377506705084505,0.689209983701201,22.83791962788701,-0.5779996816812583,-1.531672819083857,-0.3675416862327615,-3.5183331715433503,0.431930803338268,-22.83791962788701,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0015,9.643856299070272,10.130132097493409,10.634891742791105,11.154557559522848,11.683274950168352,12.214528722179727,12.74211953716724,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_10,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2686821632772612,0.979548591819593,1.871521297775698,3.0945564482556507,4.434445470096909,5.383851518609856,5.895702204881674,6.137262362728422,6.228201962965,2.639218924931878,0.801758019770225,0.0279612806627173,5.947167786534519,3.451240578785834,3.308185982526672,1.0983591683132687,2.962082175388226,6.252826031955339,0.3350088219026294,5.642152750609262,0.6899850269803304,21.51058731499372,-0.3880060436380674,-1.1192172985994109,-0.3350088219026294,-3.068076618859103,0.45547885164849,-21.51058731499372,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0015,9.6531269404131,10.127998455366054,10.623946599348066,11.136704136110746,11.660001065284504,12.18705387273718,12.71147098695654,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_11,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2689534427670796,0.9818638244629784,1.9129825877133744,3.2124968357242927,4.616027782196375,5.6045864408261465,6.136680262932156,6.387680102730123,6.482160305521317,2.7310974867233333,0.8024836655664868,0.0281863933102374,6.5034235253748855,3.725520905657574,3.5567668006249207,1.1633661811827825,2.913461399641174,6.137516787433651,0.3172181114240187,5.451206291033323,0.701706363920287,20.911669226686243,-0.2587197145990139,-0.8430327078698212,-0.3172181114240187,-2.796464605991164,0.4796536859234741,-20.911669226686243,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0015,9.65410010062808,10.136019383483823,10.635531297909878,11.149810457884444,11.673459229822042,12.200206836114102,12.72395569910686,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_12,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2686917178088543,0.9795792598686632,1.8715313757604235,3.0945006755368736,4.434325122486626,5.383691790744033,5.8955229411379,6.137074229890678,6.228010545123145,2.639187767818824,0.8017862562993595,0.0279596274093873,5.946544940610935,3.451198764269607,3.307635238359747,1.0983578263113392,2.963200160855473,6.255300277545509,0.3352460565303911,5.645168613098601,0.6900377155862019,21.520921934885184,-0.389260404448438,-1.1219635243551416,-0.3352460565303911,-3.071228856691566,0.4553654760149285,-21.520921934885184,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0015,9.654395707774478,10.129137573240827,10.624948316239834,11.137565002953048,11.660722607340183,12.187641953627477,12.71193465960821,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_13,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2689496359409276,0.9818601135472728,1.9129497839554064,3.21238092250578,4.615866901217535,5.604418844881987,6.136515351274345,6.387517738566863,6.481999096100658,2.731009044453451,0.8024798819500609,0.0281850499918569,6.502831459503016,3.7252660243654208,3.5564128213723825,1.1633019837542502,2.9144154970018383,6.139732566399501,0.317521672877941,5.454588880025366,0.7015617595196787,20.92251094256801,-0.2608012317775717,-0.8474969565494866,-0.317521672877941,-2.8009746148011003,0.4792965885051201,-20.92251094256801,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0015,9.654059114877304,10.135893781417725,10.635332056058944,11.149548541887649,11.673145317171452,12.199851011861606,12.723567211425069,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_14,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0685653132272267,0.4124817364383742,1.420505374022323,3.094093239070708,4.683166228585941,5.708446445815391,6.238895506070669,6.484951842808126,6.576946076606905,2.4963203322869627,0.296569742490115,0.0045677638766998,7.91644594857582,2.721294229032553,4.924106808804242,0.6429239579777641,5.0205422278561365,10.87686331222044,0.5680544293365289,6.947664377154704,0.8750588691555935,21.831069532538603,-1.468474197679022,-2.850349594658439,-0.1941525314231484,-6.947664377154704,-0.8750588691555935,-4.846174094050108,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0015,15.497473286441858,16.094009921888304,16.63128043614746,17.120623699482053,17.569515372579325,17.98307565706642,18.36500467827415,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_15,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0690908230697536,0.4264049131975314,1.464250668318464,3.164299684394031,4.786385725243298,5.839673320846973,6.386474350443108,6.640505407737714,6.735541294776413,2.557048347995472,0.3053964496639719,0.0045408950539582,8.425061077868474,2.8961599794827384,5.1802650346571255,0.6762828184839763,4.87008156417285,10.557691554586851,0.5566793767046833,6.775497706071744,0.8372153450350007,21.16538423119104,-1.4120559525276444,-2.743682990632913,-0.19267668074203,-6.775497706071744,-0.8372153450350007,-5.062077779443933,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0015,14.78482685406864,15.46826034898503,16.0799886512175,16.63298094798797,17.136309442315078,17.596529055126616,18.018577981535763,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_16,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0709269229770167,0.412987459422334,1.4324720262720567,3.140107947545327,4.751615516366915,5.785588733643467,6.318988607100311,6.56608866686144,6.658422673443882,2.5309540847345446,0.2979414248391291,0.0049407850944425,8.206702542322823,2.8134099237203625,5.126230085438139,0.6758609486439074,5.214736767485568,11.295795489622966,0.6071485442671883,7.536062440678208,0.8973226220453995,22.90385548624676,-1.7732088433461073,-3.51906631163459,-0.2448824469893504,-7.536062440678208,-0.8973226220453995,-6.917229207732097,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0015,15.78306413240736,16.340877202170557,16.84255082434007,17.299614223693673,17.71962073618069,18.107644017878915,18.46723300673428,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_17,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0704766344967393,0.417904182100883,1.431514988889599,3.1230665716483683,4.735223486369871,5.776305525544133,6.314883137956713,6.564669149867607,6.658049262136019,2.517798971314001,0.3012521910362463,0.0048136677306776,8.130865658765742,2.775952411396155,5.0604007444357,0.639835145544141,4.97501631534782,10.78838474617205,0.5673131519143153,6.867257309697286,0.8529379228141848,21.56725130053277,-1.3836577297523862,-2.673087204832876,-0.1892754060621644,-6.867257309697286,-0.8529379228141848,-4.913348228644013,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0015,15.006647861056235,15.667954190527963,16.25742991817166,16.78897605741627,17.272251014978956,17.714132402745953,18.11969024795841,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_18,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0685627415643576,0.4124675662635373,1.4206345902647644,3.09448738368593,4.683660127298784,5.708933956419337,6.23936226432875,6.485405466046581,6.577394255874256,2.496636803169579,0.2965548116961402,0.004567679271015,7.917115421981602,2.7223883334255383,4.924425541692707,0.6430923260817734,5.024148477919021,10.884835570457922,0.5686084346411456,6.953738819318356,0.8754043080121618,21.84664596993281,-1.4694152222856796,-2.85229931377137,-0.1944259866797413,-6.953738819318356,-0.8754043080121618,-4.859558776298229,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0015,15.496298443514398,16.093056831554346,16.630466967557684,17.119896648542497,17.568841077713973,17.982433489192907,18.364382552284265,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_19,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0691008672570934,0.4263331198093534,1.463841545332351,3.1636124512597865,4.785671211809104,5.839020960688006,6.385872158332189,6.639930002257369,6.734976432298758,2.556424540528844,0.305363979775787,0.0045427271951468,8.423885739484295,2.894220495250093,5.179707264743152,0.6755849268486247,4.867289818881905,10.551599480339885,0.5563088907113092,6.77108028567629,0.8368179895963072,21.15309827078941,-1.411080353237214,-2.741694813232061,-0.1924973680118681,-6.77108028567629,-0.8368179895963072,-5.055120784521794,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0015,14.784834297244728,15.468182358325706,16.079839429816655,16.63277296486153,17.13605370309611,17.59623527354072,18.018254676671827,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_20,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0709613088789781,0.4130254386779293,1.432119664168748,3.1392290644144274,4.750499833553247,5.784413033552848,6.317802878176191,6.564902411899879,6.657236844205234,2.530225581679712,0.2979973912663135,0.0049455003629006,8.20437373268769,2.811130986534138,5.125046226069733,0.6751829039394674,5.211574635384606,11.288727265445958,0.6066025408087028,7.530401604244308,0.8971491948125749,22.89038147991064,-1.772583650056858,-3.517730740661244,-0.2446034897215714,-7.530401604244308,-0.8971491948125749,-6.901829588648967,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0015,15.784505029876938,16.34200930730298,16.843442836017847,17.3003169232379,17.720172510457193,18.108074478599825,18.46756538533267,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_21,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0704658880823158,0.4179076424275972,1.4317611965535029,3.1237262367796608,4.736098780680799,5.777242776295423,6.315833827931263,6.565622351799673,6.659002838464692,2.51833197401625,0.3012443074899368,0.0048120156128955,8.132762708316758,2.7775906142707902,5.061344457565218,0.6401977934998112,4.979601279600984,10.79846174588689,0.5679936650659367,6.87511188464622,0.8534580274169594,21.58745800365209,-1.3852915943036337,-2.6764956829884223,-0.1896452771398999,-6.87511188464622,-0.8534580274169594,-4.929904973552191,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0015,15.0125068621812,15.673216415320269,16.26218330180177,16.793292759552095,17.276190132339153,17.71774250150867,18.12301150782024,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_22,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0712117973642391,0.4186147088103138,1.4368347005329123,3.136296874258879,4.762010001266351,5.815912264827753,6.362339927998614,6.616036643510535,6.71092160611567,2.5277354726236387,0.3017707036577606,0.0049465238414091,8.12665481638559,2.8129790883757653,5.039854054226519,0.6532873273067393,5.340061200695512,11.580699683659867,0.6290765592567047,7.720685815421873,0.8989336207894572,23.385321179318467,-1.7409348201799202,-3.4478494625994203,-0.2502211507813792,-7.720685815421873,-0.8989336207894572,-7.390098672014472,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0015,15.52157315431196,16.12182973760227,16.657322531684855,17.141466454590105,17.583305281325114,17.989069312901034,18.363197785602587,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_23,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0676909128240605,0.4202369731955567,1.4874927519191707,3.251371057611972,4.902644885127803,5.959116042264903,6.50354321146592,6.755642618846655,6.849828389386979,2.6245971269083688,0.299907645516241,0.0044002006387357,8.59317435518499,3.111800063053645,5.240591448278951,0.7044936301179531,5.3560678896937945,11.61888993944294,0.624936722269317,7.604553186852558,0.902696654061208,23.34157884722425,-1.6225563797709612,-3.1823732132762363,-0.2319355106984924,-7.604553186852558,-0.902696654061208,-6.648949306649075,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0015,14.992397407298778,15.649378701479078,16.24075586708182,16.77806824783625,17.269175165370182,17.71967946769888,18.133807045981072,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_24,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0676757415747025,0.4202726476028493,1.4877432922945504,3.251801405522391,4.903130290682481,5.959608845491086,6.504034937164639,6.756133028157104,6.85031819340328,2.624983212168352,0.2999179117835794,0.004397685243863,8.593934953958838,3.112902283806567,5.241078114620323,0.7048591858940356,5.359208520183301,11.625913876560675,0.625390843637889,7.608580318503092,0.9029342696529008,23.35384891243736,-1.6219696584059389,-3.180974552477385,-0.2319972792402719,-7.608580318503092,-0.9029342696529008,-6.654735388298276,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0015,14.98758790352952,15.64515590567085,16.23705477474811,16.774829644868632,17.26634456062907,17.71720695922211,18.13164741724803,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0015_25,RSM0015.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0712627482375775,0.4186333412742548,1.4366702920128984,3.1360434529905383,4.7618041436328005,5.8157714500128845,6.362238998239914,6.615955268310996,6.710847688512356,2.527491609280495,0.3018144513800707,0.0049544379081047,8.126988144602327,2.812203996115465,5.0398850260047,0.653002452625332,5.33678991013208,11.573380447676817,0.6286677344767306,7.717655624154375,0.8986388818351048,23.373354348420964,-1.7424294048435482,-3.4512995481950104,-0.2503139970779378,-7.717655624154375,-0.8986388818351048,-7.39100625599243,19.0,42.933795,2.0,0.0,0.0,60.0,-7.0,-14.99146,-1.0,-15.0,-1.56,-35.0,RSM0015,15.525716056673678,16.12540686862123,16.660409515903773,17.144128413193005,17.585598899381143,17.99104416278353,18.364897235236946,"[Co].[O-]C=Opcu,nbo.cat0","linker [O-]C=O, nodes [Co], topology pcu,nbo"
RSM0123_0,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,5.450432942241702e-06,0.0085823723352134,0.2861844324646448,1.477587036312643,3.09291199843154,4.272516679916714,4.910241737663282,5.211052277181439,5.324242913030716,0.9729713228068756,0.0026596804338111,2.005481884825471e-11,4.348283044649308,0.6083815384635359,3.1629908614164624,0.0135585399257529,22.79624948368502,50.7409806383761,2.164473955263244,5.736807212219963,0.8566126540823067,60.53645226114752,-22.79624948368502,-50.7409806383761,-2.164473955263244,-2.950888892401986,0.8566126540823067,-60.53645226114752,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0123,21.52245908597456,21.776350331400646,21.97262210579937,22.127318288943044,22.251310934739124,22.35216311249257,22.43525952239712,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_1,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,5.591554965881265e-06,0.0085867783865172,0.2856167244049524,1.476087646641991,3.091647202049181,4.271876243444367,4.910030746133728,5.211060625463488,5.324336230674379,0.9716731431358856,0.0026675857495278,2.189339001232598e-11,4.34801897146745,0.6089427407493552,3.16258631395484,0.0136116306143374,22.781236567421487,50.70844331434186,2.162239641762462,5.72070856735307,0.8585000443525698,60.4529201349636,-22.781236567421487,-50.70844331434186,-2.162239641762462,-2.9215468536232363,0.8585000443525698,-60.4529201349636,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0123,21.626160021087824,21.863334851693818,22.046554733202584,22.19088459311128,22.306518114611897,22.400538298460905,22.477983405233,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_2,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,3.82937176287117e-06,0.0079645750642802,0.2842537438801726,1.4836364544139955,3.107458760218372,4.290952584126019,4.930131547653723,5.231491503108721,5.344867791546464,0.9755483231182244,0.0023863551180503,7.225242776887271e-12,4.413898918173397,0.6142956760406859,3.210702952810401,0.0133275620045364,22.64728361516104,50.40954929589594,2.147813235414248,5.662490883926281,0.8527698514304232,59.98544876045016,-22.64728361516104,-50.40954929589594,-2.147813235414248,-2.8779627675198167,0.8527698514304232,-59.98544876045016,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0123,21.599001419982905,21.84108013891978,22.02799627178666,22.175177893788582,22.29305591448768,22.38887327981996,22.46777909938413,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_3,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,3.7485288943383056e-06,0.0079052199701731,0.2840961204027274,1.4857699888083078,3.113245862983165,4.299274394329425,4.939751686495338,5.241705595374054,5.355302292208299,0.9765789639737452,0.0023625669312265,7.003369850418572e-12,4.424270933527887,0.6165475763258119,3.2172845392584213,0.0133721754679896,22.62830897779674,50.36790950888856,2.145583318879501,5.65111886268519,0.8535431724269827,59.91288954238564,-22.62830897779674,-50.36790950888856,-2.145583318879501,-2.859464428379789,0.8535431724269827,-59.91288954238564,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0123,21.5332021491568,21.78575314698248,21.98088400395164,22.134613061279044,22.25778516953816,22.357938798324074,22.440437751726407,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_4,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0035792091323632,0.1745097156320752,1.1135834961326156,2.862608622641692,4.539195723275621,5.607829790384841,6.155211567018623,6.407780601421511,6.501989052931695,2.2310685936443138,0.0949700219944467,3.595813448871756e-06,7.451111250442452,2.245698718026383,4.744331592396835,0.3403407068409171,19.695047460152367,44.01442551217777,1.806198148223248,3.922185113086265,1.1753876367146676,49.66267259939445,-19.695047460152367,-44.01442551217777,-1.806198148223248,0.915738893685288,1.1753876367146676,-49.66267259939445,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0123,19.786316332255016,20.28659855580191,20.68321630221573,21.00223865111477,21.262236545492907,21.476657040289982,21.65539283426633,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_5,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0036427148914985,0.1762898015798306,1.1188927391523942,2.869733528071166,4.549578414656624,5.621744044856968,6.171379993740269,6.425087703375939,6.519736503946393,2.237545766083919,0.0960665308325226,3.7147236776914673e-06,7.445631020960181,2.2611894269268147,4.734252654271247,0.3467290578343953,19.554906826553264,43.70280518404022,1.793322511273887,3.8930263346758487,1.170424144286782,49.31960761227478,-19.554906826553264,-43.70280518404022,-1.793322511273887,0.9287350119670956,1.170424144286782,-49.31960761227478,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0123,19.74115436354751,20.24688893773083,20.648186301671977,20.97120910547688,21.23462676069568,21.451977090584663,21.633231719576465,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_6,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0036305493784325,0.175888939184213,1.117065267420034,2.8656047452553874,4.543100871863644,5.613739355921771,6.1625999303547845,6.41595325547598,6.510470543026149,2.2342620815693026,0.095830346574044,3.695850165451491e-06,7.427855450855848,2.2536067968369218,4.725581587742315,0.3451538428377382,19.614371501362683,43.8348205940592,1.7991573603981603,3.910945843859092,1.1718149724925304,49.48667182563992,-19.614371501362683,-43.8348205940592,-1.7991573603981603,0.912969322853892,1.1718149724925304,-49.48667182563992,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0123,19.88803506866541,20.37096143977277,20.754225667180314,21.062782307909902,21.314440803925343,21.52211719283109,21.695326503088857,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_7,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0035901026855462,0.1748663598003592,1.115393451498587,2.8665573192491807,4.544536419900835,5.6137065901895165,6.161258180035145,6.413882041921838,6.5081071789914935,2.234322353975902,0.0951790461415735,3.6097602921460968e-06,7.470068333505266,2.252871849212859,4.75375115675977,0.3414315779805352,19.678237790631744,43.97676717343742,1.804395743888609,3.915082037886544,1.174366132633062,49.60338073603288,-19.678237790631744,-43.97676717343742,-1.804395743888609,0.9192285626262252,1.174366132633062,-49.60338073603288,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0123,20.250646441837024,20.67593590973566,21.014065425511227,21.286667478568265,21.50925073026077,21.69310101480913,21.84655439805153,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_8,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1440303820568719,0.4760088861052763,1.184800484439659,2.439807990246806,3.755245247460332,4.646452351120391,5.116785762079741,5.336715424064493,5.419202345523894,1.973630065312296,0.3830656090018393,0.0210936516064093,6.176617918110817,1.3040695577650157,4.3903216343104985,0.2079649696282594,2.7785250107014967,6.073039387680805,0.4496856756220512,5.54758598080653,0.2645985205873039,18.09820641400409,2.7785250107014967,6.073039387680805,0.4496856756220512,5.54758598080653,0.2429016901501963,18.09820641400409,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0123,3.7160084154616033,4.388084133435275,5.0824302633365,5.779776552849288,6.465583189537846,7.12974309931443,7.765886390676938,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_9,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.144975466898977,0.4902381226953806,1.297519005439099,2.7305339131627973,4.204560656746115,5.191006051310967,5.708341633911348,5.9495477253525015,6.03990401895233,2.201653588329277,0.3902123418770327,0.0213557013238863,7.299544951480139,1.930300303266265,4.755850213141228,0.2813797324284243,7.217722969172776,15.946522684882606,0.8739533946664949,6.271121328228231,0.3033751673655916,30.00226441781908,7.217722969172776,15.946522684882606,0.8739533946664949,6.271121328228231,0.0954691750297784,30.00226441781908,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0123,3.41039696127852,4.08618667600867,4.7890834479031765,5.498193815683497,6.197647470241287,6.876335257292476,7.527175872433507,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_10,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438779189534525,0.4755348110333319,1.1787705054721365,2.40520455440597,3.68018428208956,4.54273067114677,4.998019429022348,5.210968169568574,5.290847618501093,1.951567424962916,0.3827477493178634,0.0210497391670295,6.028661086289627,1.259076682564299,4.299890798541692,0.203237572354555,2.8602797835781,6.255158945445262,0.448695912409891,5.3762995571428736,0.2635251092011009,17.771891990529802,2.8602797835781,6.255158945445262,0.448695912409891,5.3762995571428736,0.2354083882895344,17.771891990529802,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0123,3.658263335819261,4.325664097329158,5.01749202470507,5.71406821647423,6.400427470479706,7.066083611723863,7.704356619355627,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_11,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1448958825634054,0.48810349985502,1.29305128496953,2.74998581273296,4.256848754003741,5.2635758522978255,5.790558399873125,6.036007966974154,6.127911411654032,2.21012282034256,0.3890473530482108,0.0213381252133305,7.3486860136804655,1.952500054776208,4.768737017375536,0.2768552224762602,7.686988435820331,16.9853788456872,0.9276122500087778,6.588508347936463,0.3188752322235725,31.77181604262724,7.686988435820331,16.9853788456872,0.9276122500087778,6.588508347936463,0.0957486632533462,31.77181604262724,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0123,3.4084146387260064,4.086196353122949,4.79095563096258,5.501738592589392,6.202642543409552,6.882547947453952,7.534378892011015,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_12,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.144896574992576,0.4878500035805462,1.2913934238473288,2.7467292477906287,4.253126470809313,5.259964644315708,5.787101166093911,6.032641140735536,6.124581242572206,2.2072953612621298,0.3889221163120934,0.0213389391230405,7.332140633779929,1.9450673807820489,4.76241763740375,0.2767868382110838,7.647916898365874,16.89930108717653,0.9233327433416963,6.560860671383715,0.3168199784783082,31.63934260200864,7.647916898365874,16.89930108717653,0.9233327433416963,6.560860671383715,0.0948892644048008,31.63934260200864,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0123,3.411278870484032,4.088620476784606,4.792948952987096,5.50332912256026,6.203869053054591,6.883453687394105,7.535007259441454,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_13,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1439011236350826,0.4757499478713402,1.1805089563750126,2.407654469694527,3.681271951761092,4.542305187370087,4.996681065529515,5.209182463596442,5.2888911795527775,1.9540743545394164,0.3828519241772949,0.021056505653383,6.032210498002439,1.2630106430825525,4.302801243305188,0.205713670640413,2.8138240558799934,6.152921987195895,0.443977946039236,5.349724061368688,0.2609298998573301,17.638241006047867,2.8138240558799934,6.152921987195895,0.443977946039236,5.349724061368688,0.2343223779738131,17.638241006047867,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0123,3.703478596945432,4.375339972646023,5.069953066116389,5.767880602466811,6.454454807945102,7.119475021803005,7.756505926969286,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_14,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1449987669492932,0.4908341742595846,1.3002361517265768,2.7338834707762376,4.206595499204925,5.191702009618903,5.708255623374985,5.94908371629362,6.03929653919837,2.2051015864662906,0.3905375857453244,0.0213607427108737,7.302631698613425,1.9374076876928008,4.757397385835234,0.2846231819528417,7.213619282140316,15.93757207957981,0.8735179573160661,6.267408921413385,0.3029904973873992,29.989903565724056,7.213619282140316,15.93757207957981,0.8735179573160661,6.267408921413385,0.09518598735928,29.989903565724056,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0123,3.4085851320593887,4.083974783162381,4.78640566893226,5.495052637324485,6.194086279245129,6.872418232945513,7.522974439126184,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_15,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1440421336401404,0.4758807397290997,1.1835466216163613,2.4377918501780123,3.753622941450759,4.645374562836968,5.116039005400566,5.336130090603992,5.418678422612522,1.971704314972414,0.3830210938197516,0.0210972426052578,6.168134096628941,1.2992372515087949,4.387137897121087,0.2076466702061162,2.7555753201981217,6.022372621369792,0.4470559606348403,5.530254493968586,0.2635684538120619,18.012373531400943,2.7555753201981217,6.022372621369792,0.4470559606348403,5.530254493968586,0.2425697547063694,18.012373531400943,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0123,3.699794342340424,4.3700063246762815,5.063166418873964,5.759907896185335,6.445570639455379,7.109931413939386,7.74652051338968,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_16,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2063910649000536,0.5184024876987278,1.1671003276241356,2.437319898034175,3.7548244543347633,4.628248746641407,5.083740464480253,5.295578384880808,5.374852028394438,1.963261048693456,0.4395456630852744,0.043582225390998,5.579177856513208,1.7490239892385306,3.085736262477698,0.1237513662688923,13.433932393646115,29.64768719876637,1.525127969358638,9.984176393265011,0.6203253630914125,49.27787383060041,13.433932393646115,29.64768719876637,1.525127969358638,9.984176393265011,0.2104239885491449,49.27787383060041,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0123,6.978148224445173,7.917466867733554,8.772563392845573,9.54299416612843,10.23268488066952,10.847817458149356,11.39548966416777,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_17,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2064040917759934,0.5192535313678267,1.1727255372644652,2.448005151132532,3.767304433233154,4.640945198122648,5.096349607011367,5.30810937554926,5.387348223391274,1.972603183453007,0.4399699991570757,0.0435845266577444,5.608060215245015,1.7667650269014556,3.0989097416532667,0.1255242567600812,13.559718967178318,29.917557050377187,1.5481111027160088,10.351506002268277,0.6435295950353724,50.22205488881452,13.559718967178318,29.917557050377187,1.5481111027160088,10.351506002268277,0.2351388339567549,50.22205488881452,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0123,6.950257013490552,7.891721391355673,8.74880267017283,9.52107460610005,10.212470802488474,10.8291783791814,11.378300384194151,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_18,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2059198350463247,0.5159415161505045,1.157408288529484,2.426097523876789,3.7475611216518847,4.624704227160547,5.082322092291364,5.295180887016551,5.37484111451298,1.951582737761408,0.4380284102001663,0.0433924473349231,5.516724545993723,1.730050118587933,3.0588958261957866,0.1278597751694393,13.581327758935933,29.968566843489715,1.545066527636045,10.21353280416886,0.6363243009867567,49.98460162965873,13.581327758935933,29.968566843489715,1.545066527636045,10.21353280416886,0.2243919225714952,49.98460162965873,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0123,6.968306670604823,7.906465910352278,8.760984916130756,9.531252557078252,10.221065488351584,10.836509268746475,11.384611606063862,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_19,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2059577376499367,0.5152860832637485,1.1512809165513365,2.412411584663413,3.729776878950636,4.605497599504747,5.062679846950515,5.275397874763106,5.355014878975997,1.9401782787690407,0.4377623499717705,0.0434097149461382,5.477956724356044,1.70703238045054,3.038185108409145,0.1227034045147664,13.67488306739386,30.1709860521409,1.5617895587249775,10.458364689133068,0.6502074316698895,50.67660867972141,13.67488306739386,30.1709860521409,1.5617895587249775,10.458364689133068,0.2387331856492541,50.67660867972141,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0123,7.045802286539226,7.9905950510070305,8.848673209772874,9.620101230266284,10.3093040282236,10.922893464351397,11.468311391925589,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_20,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2425865244699595,0.9685855786723976,2.066377312408204,3.4476108733398325,4.793283140669216,5.700706900289942,6.180497942937178,6.405143403973423,6.489449525228999,2.958724753788066,0.7713344121428741,0.0261960734816728,7.392750063306574,4.330619086038847,4.090304988024496,1.562014729504689,4.253341388324235,9.29059968454986,0.5040851529311154,5.115017046260569,0.4697980100100101,21.83539330370571,0.8814401566512851,1.870555685389487,-0.1702950934034744,-3.985716215616741,0.0835593970054655,-14.15822193456997,24.0,53.3693,2.0,1.0,0.4900000000000002,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0123,9.178852443873971,9.801836739971696,10.441889204327088,11.089114109357611,11.733955637762268,12.36813235502161,12.985020123129187,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_21,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2407820825982639,0.9675467389075678,2.1447348674451066,3.705145770663111,5.171843656911156,6.12628748794893,6.621722209622452,6.851767818008049,6.937802892333052,3.155919249156141,0.7680923264008521,0.0261841393653638,8.305258749934435,5.057454673924347,4.300686533721573,1.685558430400584,6.020695279858119,13.237384883544118,0.643550036858841,4.925584287019279,0.5044281050914985,24.24394327333871,2.8712534837484287,6.306874440231345,0.0136616776369029,-3.92017609736166,-0.0117780921592643,-9.1280738399366,24.0,53.3693,2.0,1.0,0.4900000000000002,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0123,9.47395606368864,10.123171168728296,10.776491279001409,11.427883460801386,12.070626549740362,12.698479536534103,13.306272122094548,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_22,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2421898929135243,0.9679058099230784,2.061135041807216,3.4193501561658355,4.732989457130578,5.616514986331256,6.083184691797067,6.301589682855717,6.383538979186651,2.9403241283624744,0.7706966566981734,0.026125671814675,7.251815224040227,4.264351104540041,4.026905286911548,1.553665291631828,4.403353254936234,9.62785834099678,0.5360061164611366,5.462754179459374,0.4661672048839143,23.050944582406046,0.742580515149056,1.572137566912624,-0.1961484314962992,-4.39511262895213,0.0569771548646353,-15.234217828214785,24.0,53.3693,2.0,1.0,0.4900000000000002,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0123,9.173062219481745,9.79239239854317,10.430739949662453,11.0776716894319,11.723172305310326,12.358596819430836,12.977050410967609,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_23,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2404745166406857,0.9668823878835356,2.143058213570318,3.708013182083968,5.186326952926634,6.15165373325603,6.653692458638666,6.887017769371007,6.974313547156334,3.156197137008593,0.767532602459889,0.0261403506375802,8.285097670885865,5.0576039852136265,4.282137212376812,1.6813301246495265,5.834563664572253,12.821398886113132,0.62272091443336,4.830215139581524,0.5020767096080406,23.66888909015564,2.757941804690027,6.051132499105582,0.0073965424569146,-3.79911915300254,0.0031603238156614,-9.17618758167932,24.0,53.3693,2.0,1.0,0.4900000000000002,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0123,9.427738823929628,10.081598564243226,10.740067451570786,11.396767559930574,12.04471400648697,12.677483275570468,13.289792892134674,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_24,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2405048350195455,0.966822757834528,2.141626200171605,3.7050490972859897,5.183278947655898,6.149020718375188,6.651373505836515,6.88486298649812,6.972222852483206,3.1535850231931053,0.767547138600949,0.026143948333287,8.272601170693415,5.049248105245992,4.277995301387315,1.6791175503093323,5.842478672995185,12.839062949072789,0.6233295219994696,4.829184267941755,0.5022557727848711,23.67919206181776,2.7670416535526936,6.071403865064573,0.008242118110971,-3.798523622719164,0.0027679433741985,-9.153044339277624,24.0,53.3693,2.0,1.0,0.4900000000000002,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0123,9.4274449444723,10.08067165496196,10.738687866335988,11.395067415937463,12.042791215484897,12.675411168085065,13.287626844475003,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_25,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2421976322328821,0.9679068217781608,2.061202465861412,3.418502116351097,4.730118683456837,5.6120139100690976,6.07778596477135,6.295766381223972,6.377555887513791,2.939979350551797,0.7706953376760473,0.0261308100005569,7.2487872603938595,4.262094532213212,4.0269801258511695,1.5537978264224777,4.411809489785968,9.646752816989704,0.5368599944170248,5.46534596556957,0.46629256767147,23.072216898612545,0.7491797980118234,1.5869457234967284,-0.1956659439378041,-4.398685283522426,0.0563711665316308,-15.224753737590472,24.0,53.3693,2.0,1.0,0.4900000000000002,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0123,9.201041756004129,9.820953673533255,10.459477086871004,11.106210196018289,11.751205450817,12.385893270627824,13.00344806327912,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_26,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2407535108862843,0.9674592106697116,2.1447592459749183,3.704751760834768,5.170138831125982,6.123411809131609,6.618171066667108,6.847890388420285,6.933801577017928,3.155801801952423,0.7680112608053752,0.0261848206525601,8.301513722804303,5.055689517545554,4.300275746162773,1.6859036146030086,6.037100294721456,13.274041498938248,0.6448779640446655,4.924232505759904,0.5047039094254078,24.267386250543964,2.889316181284736,6.347178872546848,0.0153211413573214,-3.9202052945775536,-0.0127305759460563,-9.082806826298263,24.0,53.3693,2.0,1.0,0.4900000000000002,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0123,9.472945658187124,10.122966913954654,10.77680838461884,11.428526039271963,12.071460481747366,12.699413810843147,13.307245840616966,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_27,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2426399850081295,0.968639494651972,2.065947199537047,3.446608906164158,4.792368923305573,5.700088071527076,6.180085260675525,6.404836576721654,6.489183797246901,2.957843455181812,0.7714099431954224,0.0262039447953644,7.387062243051441,4.328377307680585,4.0884367745297,1.5616200832293234,4.240427410120944,9.261703482719176,0.5026866111403752,5.109688482899586,0.4696974450156997,21.799173824379142,0.8726306757405384,1.8506916432849088,-0.1708727357357057,-3.978396901894137,0.0846354296769704,-14.167454690071745,24.0,53.3693,2.0,1.0,0.4900000000000002,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0123,9.16128798035336,9.78423654351522,10.424496602536996,11.072123370981236,11.717509207699958,12.352325941887578,12.96991089430326,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_28,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0921562724314719,0.6017998695273971,1.801913261903172,3.5003463243986985,5.020107433691182,5.975030846244656,6.462767318247053,6.687675861635805,6.7715543522459525,2.9108092317592766,0.437064256366118,0.0043172870358562,9.137348383053917,3.7362289602831247,5.323954018693696,0.8801591675202095,9.620268712242767,21.359642611671685,0.8919688153819292,3.645128023264086,0.7684178779801581,26.428952220286867,7.216358916374366,16.22682028521387,0.5647968748440839,-3.5613058322461018,-0.7348890015729646,12.922963643683136,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0123,10.405036770127872,11.160233940978475,11.909468509702126,12.643480025054282,13.354132081872104,14.035151158668034,14.68224495347426,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_29,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0891197257895639,0.5954110890706703,1.8629887915226884,3.6849479934421216,5.255359236318768,6.21112971727273,6.69127932119615,6.911032943172942,6.992733982914224,3.0586432884175925,0.4295743131684579,0.0040311800005365,9.65806186578554,4.284408646998919,5.331759700363887,0.9428226412710664,9.439226080359807,20.96437992159245,0.8739794384118017,3.4827653310850795,0.7415770639037178,25.72323352058906,7.224341034989808,16.227171336770333,0.5647201456514364,-3.3642434324627004,-0.6941683044547663,12.760252317062555,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0123,10.681705000739704,11.450006389803926,12.206373949264243,12.943045283485684,13.652947817789071,14.330605379430333,14.972350431038922,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_30,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0920857115725774,0.6018778278583584,1.7992683756775876,3.487204781276409,4.994672103715679,5.941479211197127,6.425092734894738,6.64811869098508,6.73129898216675,2.901884603400599,0.4371184481059947,0.004303174130541,9.060448714831372,3.6946538178974193,5.298036843545842,0.8797790957476286,9.658184379384169,21.44526677855129,0.893323442621219,3.603746510211845,0.7698444471964571,26.421763699468187,7.295530657953627,16.402263509833915,0.5734571585056781,-3.5180083858333657,-0.7355491974450653,13.19842171295416,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0123,10.509908812788296,11.250502099647832,11.988372585632092,12.713477489970254,13.417069370968152,14.092407151738648,14.73484747494092,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_31,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0894392503962423,0.595633163338254,1.8613513638307315,3.6838723293053848,5.257471968500312,6.215912526758072,6.697530331914818,6.917975932747953,6.9999368849235095,3.056914148726839,0.4299884961937527,0.0040607471376387,9.632688621228525,4.267545361194284,5.33045473730894,0.947924226577564,9.410001071898526,20.901172035379744,0.8682185483171215,3.396688249346179,0.7375098611880277,25.49438135478876,7.27057342682625,16.327583766662755,0.5716771415816915,-3.274914184457757,-0.688800235232659,13.023854760929444,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0123,10.699793792564265,11.464276211364345,12.217502112119853,12.951643124584306,13.659538981174732,14.335622993988522,14.976144207135416,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_32,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.08940155934824,0.5953057279537219,1.8591219957129352,3.679337739358728,5.251822628519426,6.209873409138205,6.691356615618913,6.911752025681697,6.9936959905382,3.0530373986893653,0.4298048539385279,0.0040576465958106,9.618713510504424,4.256541501487183,5.325346750749562,0.9430483973005432,9.434727210502729,20.956740839361025,0.8699046574915715,3.3876188963268503,0.738603161198271,25.52454295450963,7.306738568038029,16.407909245051012,0.5752448507427005,-3.265372462480224,-0.6897045876596202,13.126918515321655,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0123,10.69375033433927,11.45943708454176,12.213670427934815,12.948643803049684,13.657221422519417,14.333860292164312,14.97483087807328,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_33,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0920959072586884,0.6019926364213647,1.798802797297104,3.4856721117024185,4.992971754831399,5.940012565680907,6.423820723863185,6.646950488883652,6.730171548362788,2.9006314212387125,0.4372154330912274,0.004302595483813,9.06201678625121,3.6905512080924185,5.301745321610017,0.8786761228455777,9.656392432395055,21.44116309964384,0.8930149039157719,3.6016995080231244,0.7699322716192468,26.41488283783743,7.295189117637928,16.40143445050435,0.5735197800506847,-3.515266823604388,-0.7353591978517521,13.202914461140262,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0123,10.499989423622822,11.241872168897723,11.980844472763504,12.706897750175935,13.411308813297037,14.087355262663028,14.730409012499983,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_34,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0890066265583222,0.5949881632807676,1.8605827021076464,3.679917304344891,5.249599842243726,6.205644421622711,6.686119209177466,6.906060831586281,6.987837832455125,3.0543245953859746,0.4292783313718582,0.0040202251732818,9.653276879754106,4.274059868451675,5.33225007367592,0.9378620194198632,9.448467878062331,20.984742544299344,0.8757879657584885,3.5058359391808955,0.742358530415005,25.786035829681403,7.2125434258083345,16.20191258684691,0.5629826636803275,-3.390686873856614,-0.6962989042852924,12.698078419933555,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0123,10.655773422658042,11.42900286352386,12.189256613096036,12.92902922821088,13.641427910898225,14.321107343206576,14.964498252750868,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_35,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0921972267132488,0.6022792875721155,1.802444578206254,3.500100754548359,5.019440638478092,5.974239549037861,6.461943684332586,6.686843301020652,6.770719355347909,2.910814149889184,0.4374065454196896,0.0043185813049885,9.131946916378157,3.7337719152777713,5.323190079723505,0.8818064235642906,9.687324539348294,21.510833894658816,0.8958009847758602,3.6014436065677,0.7708243161621839,26.47262531886263,7.332065852963732,16.48334882673712,0.5766755497783038,-3.515533361628562,-0.7364602181865286,13.278056694264684,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0123,10.496073014089635,11.24070579579174,11.981000639445831,12.707388184614103,13.411496917378456,14.086868631768052,14.729063165196004,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_36,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0986496083084399,0.5979532850118497,1.7307200966730043,3.3818185760830017,4.971141623612823,6.024982253702196,6.578131448599341,6.836366054374152,6.933166802364212,2.795455491660801,0.4399854091301166,0.004977360863854,8.62475220871552,3.335423597982292,5.159504559797978,0.6713145197174163,6.294411453085807,13.898983059825095,0.5750323188763532,3.028714059437497,0.6356206933254845,18.86848324998792,3.756532253978644,8.551023303050302,0.298962786085773,-3.028714059437497,-0.6356206933254845,7.825701938364709,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0123,11.083046764843536,11.7571670482786,12.429544729947091,13.092282298979146,13.738160501763952,14.36131291907798,14.957424201853552,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_37,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0986734355721366,0.5980896089003284,1.7318428796437726,3.3846243611392577,4.975116713545921,6.029532002163177,6.582934176253672,6.841277039799972,6.938116863283702,2.797713929626154,0.4400658341211985,0.0049798374688271,8.632912596534947,3.34331524942777,5.161229869909923,0.6729889576633922,6.295811825223317,13.902329774759837,0.5747042785192555,3.018151837443326,0.6355223887327294,18.850415407463053,3.76706411735906,8.574328688764817,0.3003284121400814,-3.018151837443326,-0.6355223887327294,7.87538075229609,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0123,11.053428200999068,11.73016772034677,12.404886334471971,13.069727130725587,13.717498723920947,14.342356653566798,14.94000446794072,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_38,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0983711250945291,0.5961287081257535,1.720908844679869,3.3601082983379262,4.940378670845628,5.989135975026722,6.539832830584064,6.796965941592154,6.893360408560431,2.777655863966689,0.438827504294927,0.0049506252654025,8.566003768577993,3.2748877693603804,5.135408143615342,0.6484520205696573,6.025338544640637,13.293335730519276,0.5513553333026412,3.0372229943909748,0.6271785016414185,18.37601021733108,3.4288858433275977,7.8238253890637,0.2707511352163358,-3.0372229943909748,-0.6271785016414185,7.151842293878865,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0123,11.122834987061882,11.79656632558502,12.469213646795511,13.132458655450064,13.7788211641199,14.402291697871885,14.998491158084056,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_39,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0983749264770326,0.596121708289886,1.7206071850380396,3.358349272906959,4.93657340609774,5.983894887093474,6.533843621672305,6.790631049724394,6.886896648364304,2.776534889027504,0.4388292543875328,0.004951027694184,8.559177268212952,3.2712857890705056,5.131259753990611,0.6474756078314272,6.0420949706665805,13.330623291625708,0.5536942255716778,3.0574305316503936,0.6280697834930742,18.447574540673926,3.4316283405868084,7.830091046896625,0.2701078014938344,-3.0574305316503936,-0.6280697834930742,7.104117577560192,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0123,11.12229960747834,11.797136197770632,12.470548412935624,13.134314435100402,13.78102214951883,14.404710796441549,15.001036478687857,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_40,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2081056880956512,0.5802006312914837,1.4196683468599034,2.8820327304117765,4.327791702542418,5.274923650983952,5.767460435428823,5.996348356254615,6.081981309847947,2.3499618407857263,0.4761824830545388,0.0435840885228533,6.023219897566784,2.7413085669444017,3.165583744076224,0.4659543547200007,12.894867468718523,28.58280510877944,1.332176787521,8.812122959759199,1.3933036175574365,41.06349688203747,6.180632166622719,14.233541131808373,0.4019595429645679,-8.812122959759199,-1.3933036175574365,8.505893322562349,22.0,49.3806,2.0,-1.0,-0.3999999999999999,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0123,17.596952232701895,18.450688300972853,19.15592453423345,19.74247370816468,20.23383998579639,20.648452885353475,21.000769476717185,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_41,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2081355876314181,0.5808074963700027,1.4218215990736671,2.885613422860468,4.33209997898186,5.2795235930888085,5.772175567307274,6.001110462727862,6.086760046984546,2.3531369213521325,0.4765650387538569,0.043586434987993,6.0465896453299965,2.745887601541791,3.175396086253868,0.4645062403883648,12.923029026413577,28.64668658725243,1.334594831235694,8.80804975119024,1.3948948347591132,41.12238489807141,6.219220053139105,14.319483635372986,0.4056096305418225,-8.80804975119024,-1.3948948347591132,8.607902873785902,22.0,49.3806,2.0,-1.0,-0.3999999999999999,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0123,17.185849890614275,18.09098084683009,18.83966419526876,19.46296523817592,19.985512279685512,20.42669157168878,20.801753705561183,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_42,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2076547596337176,0.578896840185676,1.4132894739654158,2.8746090725374773,4.326268622247224,5.279179657540611,5.775085107656341,6.005602385513805,6.0918540394012055,2.341816568950905,0.475328843294196,0.0433943172798511,5.988597167920575,2.730077149574264,3.156078827961327,0.4747606469878445,12.982328762037334,28.78477888454931,1.3368508173702744,8.71251183814027,1.395315251172525,41.14430066329256,6.383654542839362,14.683579078395878,0.4236931194366979,-8.71251183814027,-1.395315251172525,9.183781235617364,22.0,49.3806,2.0,-1.0,-0.3999999999999999,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0123,18.28593871915765,19.054283178360013,19.68690276833053,20.21177253347089,20.650660469156623,21.02047387341499,21.33438310098901,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0123_43,RSM0123.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2077138225765299,0.579196254170534,1.4131922242549395,2.8740099070055725,4.3256484618716655,5.27860408588323,5.774531394774369,6.00505728161103,6.091311841659136,2.341311482090661,0.4755745266852988,0.0434116190410114,5.970683944113441,2.733745501498764,3.143690895520776,0.4768610921501585,13.027494236197857,28.88730917025499,1.3406676415066188,8.704101461208941,1.3978039708349084,41.23654085804043,6.447337878797499,14.825367863278617,0.4297716416747766,-8.704101461208941,-1.3978039708349084,9.355180863925948,22.0,49.3806,2.0,-1.0,-0.3999999999999999,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0123,18.26600974703804,19.043386114466145,19.6819834622999,20.210822009785456,20.65233636407121,21.023868281821606,21.33887637596304,[N]1C=NN=C1.[OH].[Zn]pcu.cat1,"linker [N]1C=NN=C1, nodes [OH], [Zn], topology pcu"
RSM0531_0,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,31.0,69.723,4.0,13.0,1.81,122.0,0.0074868901752822,0.293556783544493,1.5985590192847987,3.7640807958714175,5.781485543997337,7.07057160978849,7.734352439387757,8.041588643414805,8.156351906849222,2.9969372366012426,0.1663747042257527,1.0475727489362934e-05,10.50011692478721,4.712380519855904,5.641020753784336,0.7615931700708106,23.22000396680724,54.1947686668903,2.03142913811532,3.282862243037881,1.5910278687370034,57.1000198340362,-23.22000396680724,-54.1947686668903,-2.03142913811532,2.5285629282701985,1.5910278687370034,-57.1000198340362,-23.0,-53.7236,-2.0,3.0,1.63,-56.0,-30.0,-68.71506,-3.0,-12.0,0.3900000000000001,-91.0,RSM0531,19.38887641058833,19.94699669116984,20.395159114027308,20.759512616240016,21.059133944018846,21.308120826851138,21.517026424057704,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_1,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,31.0,69.723,4.0,13.0,1.81,122.0,0.0074826492138516,0.2934648082043645,1.598235471496692,3.763513836852757,5.780742629401121,7.069727047540939,7.73345739033409,8.040670537009388,8.155425231075833,2.9964468375928264,0.1663163367375149,1.0464599041090095e-05,10.497110508645433,4.71074896292112,5.639669090420384,0.7612951459380879,23.219752083583067,54.19422922442173,2.031393154797581,3.282538393178224,1.5910724880510003,57.09876041791532,-23.219752083583067,-54.19422922442173,-2.031393154797581,2.5291026780362937,1.5910724880510003,-57.09876041791532,-23.0,-53.7236,-2.0,3.0,1.63,-56.0,-30.0,-68.71506,-3.0,-12.0,0.3900000000000001,-91.0,RSM0531,19.392757126221213,19.95043855768649,20.398214725309195,20.762232337500063,21.061563013509616,21.31029862735242,21.518986707623306,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_2,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,31.0,69.723,4.0,13.0,1.81,122.0,0.0074824936080145,0.293481350157724,1.5983423907139538,3.763669795960484,5.780859775278556,7.069792784218197,7.7334909172658675,8.04068806178942,8.155436615982264,2.996598714980307,0.1663237275725209,1.0463434931005736e-05,10.497726978256203,4.71122495410162,5.6398409596908765,0.7614090940185824,23.220322293720304,54.195450407630894,2.031474613388615,3.283271520497535,1.5909714793981178,57.10161146860153,-23.220322293720304,-54.195450407630894,-2.031474613388615,2.527880799170777,1.5909714793981178,-57.10161146860153,-23.0,-53.7236,-2.0,3.0,1.63,-56.0,-30.0,-68.71506,-3.0,-12.0,0.3900000000000001,-91.0,RSM0531,19.39253967725517,19.950222213023626,20.398006648443307,20.762035880818825,21.061379436622204,21.310128057326008,21.5188286786283,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_3,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,31.0,69.723,4.0,13.0,1.81,122.0,0.0074886670663246,0.2935914296467388,1.598651691682561,3.764217029291085,5.781667437034183,7.070789894561994,7.73459155478896,8.041837843398,8.156604942369912,2.997058908128121,0.1663976638785806,1.047990835101986e-05,10.50050164494977,4.712796367927348,5.6410787602250645,0.7616767522725345,23.21983870001696,54.19441472539375,2.031405528573852,3.282649757164662,1.5910571445684247,57.09919350008481,-23.21983870001696,-54.19441472539375,-2.031405528573852,2.528917071392232,1.5910571445684247,-57.09919350008481,-23.0,-53.7236,-2.0,3.0,1.63,-56.0,-30.0,-68.71506,-3.0,-12.0,0.3900000000000001,-91.0,RSM0531,19.38897984967761,19.947097090203627,20.39525411435305,20.75960128922275,21.059216111466466,21.308196692071004,21.51709637126923,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_4,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409902419277785,0.4999748380907959,1.4181599073491484,3.009839717892253,4.587494414024458,5.626109097459151,6.167512330374323,6.419358570461949,6.513617607997932,2.4313108432959885,0.3918631345130149,0.0201706057203638,9.243410743603793,2.3768824642479447,6.041233305139419,0.2953188301037139,4.463390629293493,9.694167387603198,0.7687648869280791,10.613509724718126,0.5447746670454561,31.49658893849807,4.463390629293493,9.694167387603198,0.7687648869280791,10.613509724718126,0.5447746670454561,31.49658893849807,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0531,3.3326167070990675,3.988480611177116,4.667613241437585,5.352706016390442,6.030138997315938,6.690046544879484,7.325900540182133,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_5,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140915145784633,0.4998922578913956,1.4182480582387749,3.0103411741461894,4.588376373351866,5.6272086658441705,6.168715351982288,6.420607530135666,6.514883416646814,2.4316605577243617,0.3917720833166601,0.0201490269041874,9.24524437070259,2.377692834754076,6.042332348379945,0.2955806657897828,4.462581724273807,9.692402347160174,0.7686176519672026,10.611522940011428,0.5446907698633394,31.49032701633514,4.462581724273807,9.692402347160174,0.7686176519672026,10.611522940011428,0.5446907698633394,31.49032701633514,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0531,3.3309170569598336,3.986616157470953,4.665637421972665,5.350665554789264,6.028072237504935,6.687983539274812,7.323863964483889,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_6,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409505867507469,0.4998771036041665,1.4180075726231691,3.009891596168613,4.58782789402967,5.626629380440559,6.168128190723881,6.4200183809446205,6.514293781671407,2.431269606672,0.3917848566825614,0.0201595032425217,9.24359345245436,2.3767380730552783,6.041446509119822,0.2953140351684069,4.461470407780213,9.690053637002872,0.7684892767736513,10.609384621969424,0.5444369375115987,31.48689733525452,4.461470407780213,9.690053637002872,0.7684892767736513,10.609384621969424,0.5444369375115987,31.48689733525452,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0531,3.330726800560846,3.9864056539640784,4.665418512758011,5.350447222511224,6.0278608474814535,6.6877832989780295,7.323677416156974,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_7,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409060755727499,0.4998352199544367,1.4179504172487596,3.009595295435848,4.58727695694298,5.6259257835243,6.167349796456079,6.419206210219048,6.513469126524244,2.431069229635398,0.3917351404442341,0.0201467435287843,9.242844776841505,2.376549953313967,6.040754566378635,0.2951239915615455,4.463481133905381,9.694299540882232,0.7687179964093793,10.613225105180415,0.5449028613203081,31.492854079129646,4.463481133905381,9.694299540882232,0.7687179964093793,10.613225105180415,0.5449028613203081,31.492854079129646,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0531,3.33290271921678,3.988773755543214,4.667903765405591,5.352986623430377,6.030404745942367,6.690294453715474,7.3261291253527485,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_8,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411136207504289,0.5075651522926108,1.4795214974031077,3.1158058787553347,4.6900883563162274,5.714299634885291,6.246065693675478,6.493075164896268,6.585474967451702,2.528745468962386,0.3952835780423137,0.0201963598049591,9.521172175765331,2.6802533010461955,6.147835895590901,0.3929917697523334,4.237509857533423,9.212398889127634,0.7384226193304158,10.144890812176747,0.5011494753578435,30.502034065461988,4.237509857533423,9.212398889127634,0.7384226193304158,10.144890812176747,0.5011494753578435,30.502034065461988,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0531,3.3403489710172605,4.001932607760423,4.68643686522887,5.376272576149841,6.0576830647719575,6.7207698621447856,7.359039078201582,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_9,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410996487348662,0.5075126609107556,1.479252722504772,3.115310919661732,4.689533821074753,5.713756017233904,6.245537971998202,6.4925567112591525,6.584960255866533,2.5283078481626458,0.3952492303566823,0.0201924251405933,9.520243678965722,2.6794496926562137,6.14694286145488,0.3923613332400272,4.238493058004594,9.214481041725044,0.7385402774886596,10.146815277913872,0.5013663905208071,30.505354134183204,4.238493058004594,9.214481041725044,0.7385402774886596,10.146815277913872,0.5013663905208071,30.505354134183204,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0531,3.3378985525428733,3.9993404848091134,4.6837760582095065,5.373601906846459,6.0550467738170575,6.718199307619961,7.356555143828098,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_10,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411320249902237,0.5076427187150143,1.4797393607248677,3.1161692783108887,4.690595171297211,5.714904617524219,6.246722192352458,6.493755600389423,6.586164350016558,2.529058283490472,0.3953388501333879,0.0202012557383561,9.52241433683512,2.681019766835868,6.148307013463471,0.3930973557416639,4.238040834637918,9.213521114245262,0.7384839872407969,10.145912732564293,0.5012706953373787,30.5036749336662,4.238040834637918,9.213521114245262,0.7384839872407969,10.145912732564293,0.5012706953373787,30.5036749336662,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0531,3.3375514648693567,3.998932292382782,4.683318487193976,5.373106957143358,6.054525709532061,6.717662107884028,7.3560102785411665,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_11,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411860702064284,0.5077033075222667,1.4797715675325462,3.11613659448758,4.6904444456442445,5.714660111093844,6.2464263439671415,6.493435546899091,6.585835200849569,2.5290565211332323,0.3954038550640493,0.020216817215691,9.521971367943276,2.6808709417727954,6.148241435523565,0.3932057186313648,4.23785324469059,9.21320480165966,0.7385400559751889,10.146173692492104,0.5010820889338333,30.50853769481028,4.23785324469059,9.21320480165966,0.7385400559751889,10.146173692492104,0.5010820889338333,30.50853769481028,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0531,3.34079832254996,4.002395954685403,4.686903135428195,5.376732771953473,6.05813042894401,6.721199671674608,7.359448296132425,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_12,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.207226093540633,0.5259914607748352,1.2705589690632697,2.9706664162037493,4.918279025783414,6.267639840487042,6.983733720332973,7.319102821268615,7.444947746010594,2.3088672435445727,0.4435548779882595,0.0439135637223608,8.764677185752824,2.595402569324204,5.196934182668973,0.3871731614906922,4.256155308373375,9.2449292927706,0.6265129866205219,8.465286314107004,0.5790437830784816,23.167802985954108,4.256155308373375,9.2449292927706,0.6265129866205219,8.465286314107004,0.5641314294584857,23.167802985954108,30.0,68.71506,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.3900000000000001,0.0,RSM0531,6.7585366270166585,7.603820441650158,8.388373749164328,9.109464323067042,9.767529134737345,10.365107968568465,10.906001147892344,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_13,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2071459944432009,0.5259082375605626,1.2704346307229823,2.970415404376335,4.917969732094308,6.267324261078438,6.983422416845385,7.318794981394658,7.44464142332362,2.308655739545705,0.4434682230469132,0.0438798294583119,8.762004336489023,2.5947565008373275,5.195431397884208,0.3872655795008589,4.257401081751969,9.247673233939436,0.6265459501760454,8.465160859119285,0.5792508155295154,23.165088307022195,4.257401081751969,9.247673233939436,0.6265459501760454,8.465160859119285,0.5643080987973246,23.165088307022195,30.0,68.71506,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.3900000000000001,0.0,RSM0531,6.759249449521598,7.605266131162382,8.390397693313846,9.111920425084651,9.7702900165949,10.368068321264374,10.909077149715516,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_14,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2072201683020318,0.5260392790487393,1.2708265985428178,2.9710312803758243,4.918564326535853,6.267832157282709,6.9838707671879625,7.319213060199786,7.445047802178821,2.309227081004454,0.4435761152805409,0.0439108330386906,8.76444233782983,2.5961003521689343,5.19648967858075,0.3876113936591807,4.259148012292334,9.251528554534389,0.6267961861800769,8.468087784052587,0.579415469258981,23.174476810383982,4.259148012292334,9.251528554534389,0.6267961861800769,8.468087784052587,0.5644574887877742,23.174476810383982,30.0,68.71506,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.3900000000000001,0.0,RSM0531,6.75242044790518,7.598308583724652,8.38343788749834,9.105055124351429,9.763590359294984,10.361583908290395,10.902840173630194,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_15,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2071644096130079,0.5258839669213019,1.2702146284911875,2.970192423072827,4.917908349456631,6.267386050560226,6.983547168380068,7.318948288216401,7.444805274065777,2.3084008601293644,0.4434675369530488,0.04388768731205,8.763595937378051,2.5944127531914027,5.196266463988547,0.3865995413599166,4.256331456093795,9.245403634802203,0.6265497327593501,8.465138880838262,0.5789454190899094,23.16995028785793,4.256331456093795,9.245403634802203,0.6265497327593501,8.465138880838262,0.5640215966823461,23.16995028785793,30.0,68.71506,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.3900000000000001,0.0,RSM0531,6.7655157164719295,7.610913136167047,8.395463472913896,9.11645870195351,9.774358468015464,10.37172259701953,10.912368164797138,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_16,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410741638562223,0.4797405012648029,1.289836617834283,2.6857605080651874,4.063471172488413,4.968991913154176,5.440920754454853,5.660462574712112,5.742635420410901,2.179200197742389,0.3814818421049962,0.0202704802768857,7.6173945248814,1.7251631846806557,5.159297884786279,0.2372760494687229,4.786442424573555,10.351758331942262,0.7816770763561868,11.039859035423053,0.6643223607673816,30.7851832220653,4.786442424573555,10.351758331942262,0.7816770763561868,11.039859035423053,0.6643223607673816,30.7851832220653,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0531,3.4878773927346174,4.161871263050621,4.8559276656297214,5.55245624758824,6.237904521784565,6.902687112932222,7.540662945599045,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_17,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411041630130622,0.4797744211015952,1.2898498546503605,2.685762891391379,4.063478016257717,4.969005993368111,5.440939533282704,5.660483719343166,5.74265747763442,2.1792040207536867,0.3815181269177605,0.0202791513167419,7.617207469393888,1.7251904986129418,5.1590997314982445,0.2372791991861866,4.786362137381931,10.35157914510588,0.7816585837365533,11.039630807274357,0.6643213066289213,30.78429017464908,4.786362137381931,10.35157914510588,0.7816585837365533,11.039630807274357,0.6643213066289213,30.78429017464908,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0531,3.487776553415787,4.161753426607735,4.855794953630462,5.552311344356317,6.237750271589215,6.902526250790293,7.540497941131209,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_18,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410383813023319,0.4794471113827661,1.287634000393312,2.6775514842828465,4.047707983181531,4.948069114577981,5.417336216971704,5.635653583160229,5.717370824884028,2.173467049218207,0.3813073669889123,0.0202617231586691,7.550895802847972,1.7143442279050116,5.115193437518713,0.2373215376936975,4.814478504777387,10.410125727192083,0.7840569162173997,11.086933834516588,0.6723362167183126,30.81159161133105,4.814478504777387,10.410125727192083,0.7840569162173997,11.086933834516588,0.6723362167183126,30.81159161133105,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0531,3.4974773999720914,4.176028994417783,4.874395996792775,5.574739031402258,6.263378103123251,6.930692542802419,7.570566660638367,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_19,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410379638905951,0.4794259094884157,1.287536613456603,2.6773859299835,4.0475306428648805,4.947905705335386,5.417185695933118,5.635510250288288,5.717230368857589,2.173318352766669,0.3812952564968057,0.0202617545993233,7.550253908741872,1.7140942563885462,5.114854440675012,0.2372964243233162,4.814659826051041,10.410496261739958,0.7840655644999249,11.087184342050438,0.6724006891553537,30.811290384739536,4.814659826051041,10.410496261739958,0.7840655644999249,11.087184342050438,0.6724006891553537,30.811290384739536,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0531,3.49740227908774,4.175953046878885,4.874322433494703,5.5746698453677785,6.2633143823328,6.93063474389143,7.570514824346213,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_20,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1578266151428875,0.7825302852617589,1.8945396131816288,3.507078290429732,5.079220691853044,6.113410671764381,6.652065772179715,6.902480675899895,6.996175369018896,2.928656206377542,0.6052664195140386,0.0098973015648613,8.819154645662321,4.183078701412822,5.2735274798100455,1.2573321078130817,1.986797575136775,4.12907276419287,0.1616890429955515,3.2803099191011875,0.5809579653192057,13.167768735594905,0.3699071451812593,0.5710212947734007,-0.1616890429955515,-0.9236051987831532,0.4677756352223196,-13.167768735594905,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,6.484096908561119,7.277150424685559,8.063786948006653,8.838352290411303,9.596304843203429,10.333787499477982,11.047529993895342,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_21,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1027231379864475,0.7360828633357501,2.182480391247325,3.968089200509251,5.400776635327458,6.263579839613907,6.698367710489408,6.897964495341153,6.972286124236879,3.378071443800493,0.5298802769428375,0.00376391136158,10.704993623770996,5.285537393793442,6.562296683541181,1.73901075921743,0.814010787786384,1.698831313478365,0.0731408025689282,1.39913720833781,0.2250957957482003,5.532869990310485,0.0826027620971011,0.0893299197317629,-0.0731408025689282,-0.5025236584543249,0.1738972339499506,-5.532869990310485,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,7.713245890736813,8.49929631868477,9.270828415159048,10.025576762420403,10.760611166356378,11.47281157393224,12.159289513398743,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_22,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163875003891242,0.8965896339458725,2.153097993895171,3.9138619762332207,5.489393872518426,6.474102217488351,6.975211292475772,7.205863396567325,7.291815968008057,3.3014183639360897,0.705129081421654,0.0232417286962934,11.357908730147065,5.2525779614437695,6.896704751482513,1.6755507813781576,2.1153083440560634,4.6373199042532285,0.406062703838971,5.363809974767832,0.1799446434068775,18.69779579705974,-1.9453186943336471,-4.298301046329327,-0.406062703838971,-5.193820325045414,-0.1042992492804019,-18.69779579705974,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,9.315795843697826,10.094439979566095,10.85065248831656,11.580457171566204,12.280432217306666,12.9480545494728,13.581757615825085,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_23,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1578192648110989,0.7825205744220887,1.894541142749459,3.50699794533994,5.0789861099461975,6.1130531429395685,6.651639590139063,6.902021684317664,6.995703967298701,2.928617288176522,0.605254759070342,0.0098963462841651,8.818463506615808,4.183032492433577,5.27310951221896,1.2573560477915018,1.9875689815883968,4.130749598823234,0.1618232610667359,3.282155070122284,0.5810495823067067,13.174310129276703,0.3693363709210375,0.5697445909539552,-0.1618232610667359,-0.92524971761285,0.4677732995599917,-13.174310129276703,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,6.481387489360023,7.274598561121548,8.061417845143588,8.836173455835288,9.594312629902948,10.331971859092834,11.0458776724428,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_24,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.102755631555898,0.7361772535035155,2.182604795401278,3.968218390289639,5.400912627678188,6.263722877685793,6.698514896655265,6.89811367667994,6.972436059766399,3.378199434074595,0.5299627031783138,0.0037665290518428,10.705249407376328,5.28605506350053,6.562280428019313,1.7392086319093554,0.8138119073454446,1.698435024595025,0.0731411404163269,1.39894103067606,0.2250066604881098,5.531882345053762,0.0824005031821752,0.0889261963407338,-0.0731411404163269,-0.5027286201484402,0.173807862196681,-5.531882345053762,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,7.712750429454162,8.498867279991329,9.270446379930958,10.025227081712687,10.760283305151102,11.472498303948475,12.1589861219372,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_25,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163490760292343,0.8965926095297171,2.153150464215269,3.9140206512741487,5.489719022525464,6.474555565102562,6.97573466421302,7.206419831766048,7.292384841280207,3.3015297977643403,0.7051201665613417,0.0232231092082489,11.35911969679674,5.252762469779498,6.897587894431908,1.6755750169165242,2.114670503910753,4.635964329497635,0.4059817169796855,5.362524239748236,0.1798126549033746,18.692986859147474,-1.9451466658861016,-4.297874463133173,-0.4059817169796855,-5.193000401723585,-0.1043745469824048,-18.692986859147474,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,9.316653534215297,10.095364164358063,10.851629567797357,11.581474986801735,12.281479460447695,12.949120754959973,13.582833317204166,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_26,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1578303720468341,0.7825523164585289,1.8945898421883631,3.5071658713954235,5.079315485014045,6.113491300267464,6.652133300001883,6.9025408338403045,6.99623256539085,2.9287329045922053,0.6052839047453289,0.0098970638022598,8.819278744433525,4.183459325928145,5.273415416402996,1.2573880572098026,1.9879115521336608,4.13150416630899,0.1618924766115013,3.2830513650256714,0.5810722470529139,13.177407292898332,0.368986786018647,0.5689760343850646,-0.1618924766115013,-0.926153026873364,0.4677475134248631,-13.177407292898332,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,6.482281406873095,7.275305822745617,8.06196263494293,8.836582841123189,9.594612712784867,10.33218584238034,11.046025154104717,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_27,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1027151876737496,0.7360722759269653,2.182482944202617,3.968067696278542,5.40071386127218,6.263492385041997,6.698269254672307,6.897861425975738,6.972181413860028,3.378062929824924,0.529868034469414,0.0037630230607634,10.704251803922038,5.285630958466158,6.561626302408638,1.7390165072357338,0.8144526053488798,1.6998391208041643,0.07326366119303,1.4005618948931198,0.2250620446433202,5.537536250604999,0.0818159934185796,0.0876341591477182,-0.07326366119303,-0.5042932961256604,0.1737774818081992,-5.537536250604999,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,7.712566008371046,8.498662667539564,9.270229545090336,10.025004409726993,10.760059784467398,11.4722776998753,12.158771161285417,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_28,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163714738325931,0.8965831947543333,2.152989825848852,3.913700197117768,5.489322001979913,6.474127364900772,6.975293399626072,7.205973004030902,7.291936001461959,3.3012536510611152,0.7051256939309303,0.0232324367238523,11.35758093613423,5.252019424050561,6.896733683561751,1.675336483651192,2.114970280114936,4.636628426242659,0.4060459627893397,5.363337982429653,0.1798255944211342,18.69577065636147,-1.9454893477784607,-4.298624128837411,-0.4060459627893397,-5.193857050093178,-0.1044065795314032,-18.69577065636147,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,9.316792213426638,10.095318806416238,10.8514195867894,11.581122696543009,12.281007845700136,12.948551915702396,13.582187524696048,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_29,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1578360628091299,0.7825453187593077,1.8945419005737727,3.507057257463545,5.079154225615865,6.113301711157051,6.651931232731034,6.902333514127321,6.996023370667817,2.928645711002828,0.6052821377454748,0.0098986433377857,8.819040988270208,4.183047106826801,5.273378434136183,1.2573421978760813,1.9864065518934129,4.128188887136149,0.161588132382345,3.2791116109521727,0.5809731673756718,13.163795407113962,0.3705252280699627,0.5723580082338083,-0.161588132382345,-0.9221798309887972,0.4678614747080304,-13.163795407113962,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,6.482730535953003,7.276002277525814,8.062833750948323,8.837567401125012,9.59566192788583,10.333262482721588,11.047101874319596,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_30,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1027265286801434,0.736073627182586,2.1824188062009537,3.96800299071043,5.400714105806582,6.263547430663212,6.698354014228931,6.89796006046325,6.972285236978885,3.377986714874662,0.5298778658960569,0.0037642409405969,10.704670297892733,5.285244055810095,6.562135098898164,1.738891103401757,0.8145842730852149,1.7000575494942751,0.073220826632891,1.4003508861483431,0.2252009515862498,5.537337898083896,0.0823760067563043,0.0887951846076584,-0.073220826632891,-0.5033906063068241,0.1739463729432262,-5.537337898083896,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,7.7134035481902705,8.499457047634948,9.270983373562723,10.025720498116437,10.760740659547244,11.472925508110478,12.159387721753006,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_31,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163242211048334,0.8965328682393978,2.1530686971404465,3.913844793118555,5.489384727034353,6.47410203029412,6.975217380371783,7.205872804196953,7.29182668471504,3.3013984340521967,0.7050665523551409,0.023219485487884,11.357498680151435,5.252509876868612,6.896308201082095,1.675456161525671,2.1151968567272035,4.637109249125441,0.4060740418730587,5.363789191711673,0.1798737727316205,18.6974651210972,-1.9455435620033827,-4.298761200792988,-0.4060740418730587,-5.194135896987852,-0.1043780565795202,-18.6974651210972,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,9.31659028462392,10.09532532744814,10.851621174453868,11.581496990227976,12.281528839089043,12.949193303162575,13.582924619324167,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_32,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1566964521454814,0.7786918197694677,1.8992526629161173,3.5681966100567872,5.206245982449871,6.280951205648121,6.839264967851634,7.0984588002210565,7.195378685528304,2.966373184408009,0.6020919897588332,0.0097966089809449,9.379312733161813,4.317142605369938,5.599557772520951,1.262869706561258,1.9281828769449976,4.003285813424553,0.1530676645127561,3.1527241930470464,0.5710395092791061,12.70226767498011,0.3975062318174359,0.6349522606358065,-0.1530676645127561,-0.8270350842846133,0.4638921441201769,-12.70226767498011,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,6.519478646705114,7.314599471096079,8.10398197694983,8.881685095306002,9.642872463507304,10.383442418101891,11.099950265804264,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_33,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016882882093849,0.7314533556116273,2.1764240028887043,3.981598754334495,5.444546120749094,6.328567186302383,6.774355701672509,6.979021723571399,7.0552308918720446,3.3823823755235747,0.5262482202003811,0.0037007667673628,10.906223065299107,5.303633852003564,6.676617517203404,1.7244577806147448,0.7482955790415698,1.5518216395581133,0.057670004652291,1.2096556162598977,0.2248602739504529,4.894877988253669,0.1715955325186598,0.2827631987820304,-0.057670004652291,-0.2897645046996681,0.1844912706938493,-4.894877988253669,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,7.727965676182442,8.517311111106544,9.292423718802285,10.050738066324312,10.78909887763525,11.504240487958253,12.193197448908386,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_34,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165589544039992,0.8970909901230095,2.163696687933814,3.9637686490117097,5.574515635217246,6.574754355281021,7.081307541108331,7.313877640008857,7.400448889239707,3.336229558088674,0.7054836944818388,0.0232738556257792,11.663898560897332,5.357568005609587,7.06133766351663,1.6887765382450808,2.10096728592859,4.612131580376455,0.4093728224602787,5.37594986561082,0.1673564001251999,18.692292878848523,-1.992760938674197,-4.3963302517296565,-0.4093728224602787,-5.267743518356427,-0.1192045755969949,-18.692292878848523,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,9.327308055691176,10.104901722482394,10.860069646384536,11.588856892625358,12.287869729925722,12.954607288159432,13.587516025315209,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_35,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1566819090469609,0.778690546798058,1.8994020537304777,3.568632239726306,5.20693984286595,6.281802266670941,6.840194592282967,7.099424257454133,7.196357443049758,2.966707394935073,0.6020807601591475,0.0097939456195569,9.38200873833913,4.318036973246835,5.600947877142985,1.263069635846166,1.9266901356055304,3.99997691912067,0.1527457999202546,3.148656534967567,0.5709787354939833,12.68836667643274,0.3992321364029834,0.638726164059508,-0.1527457999202546,-0.8227342629590537,0.4640566755498052,-12.68836667643274,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,6.517835940786443,7.312890102482924,8.10223901430014,8.879931028935857,9.6411230902891,10.381709261464126,11.09824201172216,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_36,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1017006992542843,0.7315154245471929,2.17655355972703,3.9818014260900862,5.444838066613694,6.3289284327636,6.77475575566657,6.979440372166767,7.055656582379671,3.3825575513585195,0.5262962178382686,0.0037014270880275,10.907307424637253,5.304197020887257,6.676975262851332,1.7246765246383124,0.7492876763681383,1.554018950348125,0.0578821475866662,1.2123448570614683,0.2249039892588222,4.904081333574016,0.1704662005014754,0.2802921939867887,-0.0578821475866662,-0.2925909801918547,0.1843864859481558,-4.904081333574016,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,7.727784365679717,8.5170354822857,9.292043207889156,10.050250940089352,10.78851005784656,11.503559351379126,12.192435933663123,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_37,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165510220208173,0.8970949755412398,2.163742523776848,3.9637841205778384,5.574443170546525,6.574618839256993,7.081140370044121,7.313696243504393,7.400262262635239,3.3362673260902054,0.7054822116177378,0.0232703892658501,11.663442368447877,5.357869546575219,7.060731404842133,1.6888684672392875,2.1014361105684154,4.61311733581628,0.4094220509055774,5.376812517813034,0.1674727237549871,18.695621570953627,-1.9927843984873583,-4.396427793827423,-0.4094220509055774,-5.268160805731977,-0.1191227118789167,-18.695621570953627,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,9.328094000829797,10.105711977878054,10.86089336956508,11.589684995319343,12.28869457220943,12.955422552101457,13.58831662969638,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_38,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1567005249021079,0.7786947106776012,1.899361978063138,3.568618773621909,5.206951502626646,6.281811104034809,6.840195497620504,7.099420023834962,7.196351055935337,2.966679721106018,0.6020933866926773,0.0097978209015378,9.381997195133703,4.318108426364691,5.600821906467989,1.2630157957413115,1.9274453946223324,4.0016392659243145,0.1528972009575716,3.1506230022829054,0.5710309488114912,12.695170992263094,0.3984733850466164,0.6370568523084537,-0.1528972009575716,-0.824704222613956,0.4640029081411912,-12.695170992263094,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,6.518048186078776,7.313101419747367,8.102458607865824,8.880164965430426,9.641374429979615,10.381978657690812,11.098528416959027,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_39,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016774082734134,0.7314268016219697,2.176425818037555,3.981677535796327,5.444738288843127,6.32885234584018,6.774694274775021,6.9793861902194365,7.055605212917257,3.3824290016809884,0.5262221491130802,0.0037001016988768,10.907105327856698,5.303743547924784,6.677142830318844,1.724465460854108,0.7481740125329286,1.5515844866581088,0.0576751387116153,1.2095751222258515,0.2247965504928745,4.89437283689695,0.1714226254167752,0.282413068236883,-0.0576751387116153,-0.2899784842761475,0.1844239533947438,-4.89437283689695,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,7.727723943428649,8.517035259908445,9.292105276287156,10.05037417047893,10.788690839468536,11.503792367337589,12.192714870081907,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_40,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165898343920612,0.8971575455261163,2.163823397764518,3.9639292955206304,5.574656812698995,6.574873290546678,7.081414256847849,7.313978715117912,7.4005478716537025,3.336387145398045,0.7055423814515623,0.0232798569636549,11.66433922491336,5.358059697761945,7.06145738577925,1.688981406916474,2.100454872427997,4.610888762675131,0.4091585802740561,5.373723514620446,0.1675300802166036,18.68544596762111,-1.9911309303125628,-4.392858558717214,-0.4091585802740561,-5.2643995725050114,-0.1188809259752353,-18.68544596762111,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,9.327653208046064,10.105168516536557,10.86025696521393,11.588969259450373,12.287914614094875,12.954593370938433,13.58745214355559,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_41,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1567126426609282,0.7787300942236811,1.899377865752454,3.568521826504317,5.206788040111871,6.281639986005738,6.840030788806764,7.0992605267081945,7.196193857645028,2.9666223870458746,0.6021239060613607,0.009799040938315,9.380922934864955,4.3178704264956425,5.600283687233637,1.2630551065557225,1.927882567075217,4.002600892097202,0.1529842527722724,3.1517565892533974,0.5710622684004613,12.699097890821536,0.3980400393524937,0.6361028580319054,-0.1529842527722724,-0.8258339828256853,0.4639732914598705,-12.699097890821536,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,6.518968583880456,7.314076916323607,8.10343708732526,8.881111540703852,9.642267664199426,10.382806962726644,11.099287045207191,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_42,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016907252098527,0.7314780765217697,2.1765033359911814,3.9817252131029264,5.444715558264949,6.328769880564958,6.774577592860242,6.979252981889141,7.055465726907769,3.382493816750166,0.5262642975216105,0.0037009818446601,10.906837227212328,5.303997481281652,6.676844303653019,1.724601631121344,0.7478608896228082,1.550886969565474,0.0576042951535164,1.2086952508509394,0.2247900424693062,4.891390351184368,0.1718179380876438,0.2832745004788651,-0.0576042951535164,-0.2890164231404876,0.1844670358618448,-4.891390351184368,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,7.727887152275115,8.517152315617626,9.292186630633848,10.050427007698588,10.788720195545372,11.50380195430422,12.1927076058488,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_43,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166225842217654,0.8971659708977354,2.1637761292163225,3.963853248968907,5.574582029998857,6.574803212128906,7.081346686951406,7.313912240659256,7.400481790716987,3.3363157542525554,0.7055600102283485,0.0232936974046919,11.66417299759486,5.357836077911005,7.061536104753629,1.6889335651593136,2.10032283156245,4.610602979462026,0.4091368079217993,5.373417294936845,0.1675121451919164,18.684350316248235,-1.9910452476555425,-4.392665229997285,-0.4091368079217993,-5.264139711029937,-0.1188836203533427,-18.684350316248235,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,9.328078802757783,10.105699966993903,10.860894640124965,11.589703474263231,12.288730659053384,12.95547481665282,13.58838283691332,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_44,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174163333101969,0.8940626186316148,2.099041327167978,3.731211559969352,5.15419268148946,6.027009009169677,6.466610393558583,6.66796310581566,6.7428415987084005,3.168800730413317,0.7051781194122343,0.0233979327658244,10.124484941333554,4.86518103564364,6.218331537278809,1.6081933818411358,1.5822763560371451,3.406052574196793,0.2429071721264718,3.52553373304892,0.2486620306993946,12.76952522271516,-0.8467953652275737,-1.939246060175725,-0.2429071721264718,-2.790052742239348,0.0786270102108645,-12.76952522271516,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,9.347334009843795,10.126970371566784,10.884628242088,11.615743732691303,12.316637713602091,12.984713179296342,13.618422192072408,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_45,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1032422801836795,0.7280572917207923,2.2147106972783512,4.217259141974482,5.883182295407583,6.885201098475223,7.386635904700884,7.615800548529761,7.700953369414384,3.5408835974457182,0.5253616290754889,0.0037783095376619,13.02056139846588,5.788568388566665,8.068456294964188,1.7608816725158185,1.2588869579758823,2.770246213147744,0.2517773915951765,3.2731060907372944,0.0881220870583116,11.329982621782944,-1.2588869579758823,-2.770246213147744,-0.2517773915951765,-3.2731060907372944,-0.0881220870583116,-11.329982621782944,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,7.45388134593574,8.279699836759573,9.086851490399988,9.87242328646296,10.633616823789104,11.367775099174002,12.072573855070893,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_46,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174110975186051,0.8940002980598827,2.0989368829428945,3.731089456645373,5.154067656539705,6.02688772947364,6.466492693897793,6.667847432766838,6.742726741697831,3.168682704848381,0.7051287929789213,0.0234037570119674,10.123881283584067,4.864843409708376,6.217932836659269,1.6080614917009126,1.5824327467006798,3.4064162219892884,0.2429573656965379,3.526091672272983,0.2486375116007937,12.77131104743416,-0.8471409102646997,-1.939986947993192,-0.2429573656965379,-2.790799835837003,0.0785673556132173,-12.77131104743416,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,9.34721065477468,10.126855191987824,10.884520316615568,11.615642469555532,12.316542670429126,12.984623980211104,13.618338490670498,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_47,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1032427402416013,0.7280479783855566,2.214664754456406,4.217169459833823,5.883069531566277,6.88507921112824,7.386510505688474,7.615673746023991,7.700826075294696,3.5408066979988373,0.5253559372148,0.0037787051708268,13.019520665519211,5.788429013979055,8.06769660775229,1.7608397808974878,1.2587569826960008,2.76996019578565,0.2517513965392001,3.2727681550096013,0.0881129887887199,11.328812844264004,-1.2587569826960008,-2.76996019578565,-0.2517513965392001,-3.2727681550096013,-0.0881129887887199,-11.328812844264004,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,7.453842308925718,8.279642277563841,9.08677986398772,9.8723408412726,10.633526098067286,11.367678173679488,12.07247247819365,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_48,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166679191687016,0.8916199386855821,2.092780228307331,3.718957755766695,5.136460805289026,6.005647337699696,6.443312799014363,6.643751750296564,6.718285911875525,3.158631722177505,0.7031878575985733,0.023331853243276,10.0543326487167,4.833202984540639,6.177229349294308,1.5991417506401393,1.531346109811602,3.2934979663631805,0.2322556059208078,3.389390957178065,0.2459697577646482,12.301842667474167,-0.7912099493964759,-1.8174074148392745,-0.2322556059208078,-2.6492547967629383,0.0833908336200828,-12.301842667474167,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,9.346031464907377,10.129138357010078,10.890220726576796,11.624543091117248,12.328318580494903,12.998894649606504,13.634706655848868,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_49,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1035445398592333,0.7298892799144431,2.216827578751305,4.2216577895309,5.900256464296968,6.91661314344177,7.427281629477253,7.661131072607701,7.74809918023129,3.5434102341633165,0.5267689560486832,0.0037987618493169,13.08182731920392,5.80018942372401,8.113547718116108,1.7649872610768709,1.297905860599911,2.856109337354855,0.2595811721199821,3.374555237559768,0.0908534102419936,11.681152745399196,-1.297905860599911,-2.856109337354855,-0.2595811721199821,-3.374555237559768,-0.0908534102419936,-11.681152745399196,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,7.446501158153238,8.274411321908682,9.08300379046723,9.869457613800348,10.631097580687197,11.365387888131822,12.070108281812342,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_50,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2166527477073465,0.8915656044992892,2.0926599635472147,3.7187999110770193,5.136306774840183,6.005505783728389,6.443179644629296,6.643622846962699,6.718158649721193,3.1584804297490514,0.7031443581036391,0.0233306761356843,10.053908410916591,4.832762928225824,6.1771123102516725,1.5989675865425037,1.531462213659363,3.29371469919601,0.2322412327566751,3.389392075712764,0.2460483736596505,12.302135723430318,-0.7909501139073886,-1.8168743930556603,-0.2322412327566751,-2.6488799759607904,0.083479510729978,-12.302135723430318,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,9.346188812085156,10.12928125309145,10.890353295919104,11.624668138901743,12.32843795816394,12.99900953127441,13.634817748556411,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_51,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1035476487920639,0.7299206000692356,2.216884057567684,4.221709409030437,5.900306549138132,6.9166670492676126,7.427338873891385,7.661190151369254,7.748158988908298,3.543464326158753,0.5267918456972452,0.0037985957695425,13.082465613425695,5.8002730939545,8.114085529205136,1.7650755304265484,1.2978063117043768,2.8558902748336896,0.2595612623408753,3.37429641043138,0.0908464418193062,11.68025680533939,-1.2978063117043768,-2.8558902748336896,-0.2595612623408753,-3.37429641043138,-0.0908464418193062,-11.68025680533939,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0531,7.446552848162345,8.274458870214783,9.08304407305905,9.869488885249972,10.631119112199224,11.365399671465848,12.070110789757983,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_52,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681170810442101,0.3855455907343946,1.3638534640897682,3.142173868085812,4.8850042354672,6.011205242009645,6.591932286900091,6.8606930416325,6.961066260413188,2.4950118552017955,0.2799878652014851,0.0046259334776705,9.052476689909478,2.876825540958343,5.587047069683403,0.5477450990988806,4.519315117307959,9.892543308455656,0.4446837092834132,5.460022258498066,0.8244137695709247,18.307992546218827,-1.1756741028204254,-2.082437551676422,-0.1539323167192799,-5.460022258498066,-0.8244137695709247,-2.6435683638754366,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.526908969046946,15.330811712575532,16.04987770423518,16.695638636613623,17.277694067946452,17.80402547128805,18.2812997598034,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_53,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0682757725150899,0.3860143844459461,1.3332854795286446,3.031175133702914,4.741509071277089,5.875779917354673,6.468822124132655,6.745024526740421,6.848448875749594,2.409701549902584,0.2807985491796634,0.0046310019159497,8.443075389315522,2.5370427644962983,5.311641119879453,0.5090814160490582,4.51739902535933,9.990423622042574,0.4500278839663616,4.90293399600375,0.732903874659784,17.318478516682706,-0.4097420073043929,-0.3957226405131755,-0.0928403171789758,-4.90293399600375,-0.732903874659784,-1.6819085234041038,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.414019956681631,15.210958920733871,15.928273048383064,16.57547968967664,17.16088622649056,17.691650495583108,18.17391632625516,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_54,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.068106563330508,0.3855114487569793,1.3637325269870275,3.1418854360935344,4.884566015700394,6.010676247244096,6.591357619790226,6.860097416839843,6.96046283204187,2.494782918210703,0.2799614444911849,0.0046245074964026,9.051179282981364,2.8763466047488127,5.586287213361487,0.5476845166251346,4.5201569647525,9.894367138445526,0.4448426753668993,5.462253963495941,0.824506261269955,18.312395383559352,-1.176666892729705,-2.084613954387968,-0.1541044082344823,-5.462253963495941,-0.824506261269955,-2.650752542489012,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.526330304736591,15.330211954921271,16.049195761964064,16.694852729889448,17.276804071625836,17.80304235793878,18.280239388835497,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_55,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0682795997851676,0.3860234650173587,1.3332562736512932,3.030962997506081,4.741050286530021,5.875145115517258,6.468093722245067,6.744252348374615,6.847660286076788,2.4095672724495,0.2808070585348636,0.0046315107929894,8.44179205804954,2.536558554228772,5.311018294627337,0.5090912842443552,4.514829810245804,9.98481612004064,0.449639941570235,4.8977809925670375,0.732558060103572,17.306484255001298,-0.4078369182716446,-0.3916664099857259,-0.0925101248768297,-4.8977809925670375,-0.732558060103572,-1.668768070645967,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.41577151660018,15.21246520565415,15.929574167066985,16.57660758711538,17.161867226906672,17.692506664600867,18.174666281416204,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_56,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0681511664178045,0.3855642245757998,1.363677906543701,3.1418185797606304,4.884533353195611,6.010656839635487,6.591340325494701,6.860079931428191,6.960445083245163,2.49470747829484,0.2800253396436104,0.0046308001407532,9.05173874933792,2.876251504116918,5.586677713504652,0.5475873929538906,4.519338015406151,9.892441582523336,0.4447417106808269,5.4617970726827725,0.8244888948912614,18.31021776975216,-1.1773426571889358,-2.086179763970361,-0.1541334186619385,-5.4617970726827725,-0.8244888948912614,-2.6504117572446373,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.525297088066534,15.329463229785896,16.04874013458128,16.694671838954775,17.276866777779247,17.80331300505377,18.280682429717,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_57,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.068236060626382,0.3859582992900589,1.3333276843547646,3.0312821426329704,4.741588525235854,5.875816722027555,6.468832109127685,6.745021232774091,6.848440497387435,2.409799813251065,0.2807362683248097,0.0046254412738446,8.443358968660704,2.537215358749548,5.311706216290601,0.5091123286825068,4.515504981904011,9.98629813732798,0.4497342585923119,4.898972958678476,0.7326496049621062,17.30947048102345,-0.4082083088388603,-0.3924388527591576,-0.092578026151864,-4.898972958678476,-0.7326496049621062,-1.6714594850227114,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.41254773023659,15.20953304952804,15.926923060387915,16.574220314095662,17.15972281298397,17.6905826137629,18.172940132858628,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_58,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.068118146028767,0.3855542167079461,1.3639186274481696,3.142324696602933,4.8852018842673015,6.011418260839653,6.592149549260292,6.8609115117604365,6.961285065176245,2.4951364210591223,0.2799927407502373,0.0046260744182575,9.052989728895456,2.8771563752760523,5.587245815637577,0.5478250196660717,4.520126306720105,9.8943911416955,0.4448063564278139,5.461170729700695,0.824457949019253,18.310993220320707,-1.175662537044316,-2.082363586193143,-0.1539834199342671,-5.461170729700695,-0.824457949019253,-2.646648952352132,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.527792639937358,15.331458731400913,16.050257179002443,16.695754602806755,17.277568792659384,17.80368943633024,18.28078580159069,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_59,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0682849248977744,0.3860360162066726,1.3332761303840626,3.030979722026439,4.7410507456697255,5.875130781002719,6.468070790611173,6.744225247631046,6.847631599602349,2.4095871578888914,0.2808182091196354,0.0046322263564453,8.44178679307984,2.536733172268709,5.310822730650698,0.5090131179757011,4.516268514072311,9.987924044911251,0.4498755679927428,4.901131357541692,0.7327600777814995,17.313721450142634,-0.4093096745795925,-0.3948538749385998,-0.0927487123846804,-4.901131357541692,-0.7327600777814995,-1.6781283630671866,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.414809589151028,15.211756926938396,15.92905944552558,16.576241861398067,17.161616924238224,17.692346146373993,18.174575749703795,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_60,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664809319430874,0.3908303163085796,1.441068930987397,3.3192062015411734,5.1199685477358186,6.269310407919697,6.858526261607163,7.130512515772949,7.231982234693198,2.6415082213834835,0.2803498263138279,0.0044192224892302,9.786934105403228,3.329402802142118,5.876884122879571,0.6214032597675239,4.844890265160924,10.622622064457536,0.4873550316865239,5.8983854880774045,0.8584590912664598,19.561246970138868,-1.2091716149808498,-2.130278826422137,-0.1712055838447785,-5.8983854880774045,-0.8584590912664598,-3.4883745734567166,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.6131448925323,15.413753069902182,16.131032574138608,16.775896684716923,17.35749834961469,17.883513378550976,18.360413704111064,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_61,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0689685748349761,0.3825844753818497,1.3318744004526597,3.068844634874514,4.820071697671019,5.976844450240359,6.580039003952605,6.8606018225392935,6.965600070762847,2.4315540705269423,0.2790269543454276,0.0047659128006061,8.769437984541625,2.6176245157776217,5.505805240539891,0.5064237699166401,4.647176315059967,10.26345921164353,0.4723665404330974,5.2662275655331,0.7561611244070042,18.057187594563526,-0.6095504995706419,-0.8323377220338655,-0.1212686434340256,-5.2662275655331,-0.7561611244070042,-2.7200438407857783,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.568848433652336,15.35343392980288,16.05815677529977,16.693132021039162,17.267015813633208,17.787145794246612,18.2597351294576,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_62,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664388557652221,0.3908116884673263,1.4413763248126696,3.320045288436086,5.121252353429803,6.270864427870119,6.860217431783339,7.132266926603114,7.233760243083304,2.642166456408817,0.2803068231449696,0.004413212401956,9.790476283827864,3.331209239008456,5.878561792902529,0.6217164983520996,4.846178464778407,10.625750435026108,0.4874420347200117,5.897451009668252,0.8584755899740062,19.562904539465794,-1.2067303616664211,-2.124695908402322,-0.1709682866233173,-5.897451009668252,-0.8584755899740062,-3.481456707550728,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.610112340962903,15.411036524933513,16.12857472771873,16.77365376902847,17.355436836729645,17.88160740774913,18.35864310368668,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_63,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0689886316210861,0.3826344882130453,1.3320490385800772,3.0692394397702225,4.8206739372567045,5.977579317330802,6.58084184743057,6.86143601899513,6.966445958208032,2.4318705575514272,0.2790672244440381,0.0047687796300332,8.771575752904159,2.618415267607019,5.506998103338802,0.5065231572238003,4.648728537621521,10.26683487040423,0.4726173133637573,5.26965273651402,0.756363695978275,18.06473034996772,-0.6109324773768615,-0.8353157216146643,-0.1215046124729173,-5.26965273651402,-0.756363695978275,-2.729537054315894,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.568690343903825,15.35266607222741,16.05701030126686,16.691755759993928,17.265506781236507,17.785567980683805,18.25813114503717,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_64,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664822727383842,0.3908654747080117,1.4413157539531989,3.3198801830256723,5.121007043890655,6.2705612953607055,6.859881687059229,7.131915410860048,7.233402726636344,2.642032529045904,0.2803705514062675,0.0044191830840781,9.790360831372102,3.330924697304573,5.878501115070417,0.6215804243765274,4.846045760667025,10.625381950245126,0.4874643487542357,5.898285204291479,0.8584810205043621,19.56353309671967,-1.2076050402549734,-2.126680476891695,-0.1710781991531877,-5.898285204291479,-0.8584810205043621,-3.4854560800401533,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.609776582283146,15.410701503584557,16.128263211554117,16.7733787205051,17.35520432136329,17.88141887264089,18.358497083834653,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_65,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.068980917841129,0.3826266942309299,1.3320223961272326,3.069155372791902,4.820480783368099,5.977290603819496,6.580497389944243,6.861064420393979,6.966064015894375,2.431813330637857,0.279059625088529,0.0047675352305517,8.77124018061381,2.618433844802724,5.5066386737969895,0.5064802182154975,4.647969612341826,10.265135059350012,0.4724995517754746,5.268354731498858,0.7563011279838742,18.06159621704916,-0.6106885131154055,-0.8348187609847731,-0.1214316301036119,-5.268354731498858,-0.7563011279838742,-2.725995148718874,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.569460479376954,15.353623393915315,16.058065587510253,16.692854137639806,17.266614330567876,17.786663698728045,18.259202105109704,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_66,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664860148242785,0.3908339659593769,1.4411005620721875,3.3194007906105254,5.120352175031157,6.2698194414073,6.859100384494244,7.131116837233583,7.232597845748778,2.641636902627585,0.280355537685502,0.0044199148684662,9.788150739187667,3.32971874929017,5.877561983163276,0.6213792579652054,4.84388740772239,10.620465268805162,0.4871505263691432,5.895410303237669,0.8583509154262406,19.555681549422108,-1.2077390602184477,-2.127118340024172,-0.1709637135427135,-5.895410303237669,-0.8583509154262406,-3.478316847492878,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.6138607164181,15.41443370853284,16.131653956404964,16.776446049115243,17.35797099264372,17.883910009499573,18.36073841441802,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_67,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0689824083122273,0.3826407625714959,1.3321017729667972,3.069345814661548,4.820833515675021,5.9777781326188215,6.581062592897517,6.861667309869142,6.966681251669597,2.43195847016716,0.2790671431444619,0.0047677676748925,8.771577085304228,2.618598681500297,5.506919663693632,0.5065969260442843,4.648570917179979,10.266576507501137,0.4725686743542646,5.268446273274557,0.7562957810063874,18.062861022410097,-0.6099318676794574,-0.833088297077387,-0.1213826700498713,-5.268446273274557,-0.7562957810063874,-2.725436031734663,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,14.566304557019157,15.350967969435096,16.055803738132497,16.690906176832,17.264920086293746,17.785177141494692,18.2578875655526,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_68,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2096333529845059,0.5952650707414774,1.556874833084714,3.4862874552412406,5.523562096629316,6.883398092938312,7.593790536646086,7.9243055502277855,8.048001062480868,2.760826411992404,0.4859157830071371,0.0439172528526833,9.80506645678464,4.146818324857601,5.304278661623141,0.7996243269020348,9.830316701685442,22.30195151452876,1.0405356779348731,8.059507805747703,1.0620508994341291,32.6068455960498,3.068970484235928,7.828315662061036,0.0811414686669851,-8.059507805747703,-1.0620508994341291,-0.9719517283262776,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,16.839261497329506,17.757277721494663,18.523822833882843,19.16754472274307,19.71150625055437,20.17410232104377,20.569975643850924,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_69,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2095500367212684,0.5951143169396885,1.556540006288076,3.485720381473259,5.522844518416982,6.88260790751265,7.592968642157659,7.923470138758465,8.047160780346957,2.760331776846565,0.4857860640715277,0.0438835097361021,9.801770597641225,4.145112449222566,5.302684030343366,0.7991839303695265,9.82941857352503,22.299889698059705,1.040435095987443,8.05884267679574,1.0619797628318202,32.60405555615011,3.0685427201673727,7.827280447932169,0.0811267556379829,-8.05884267679574,-1.0619797628318202,-0.9717363560810108,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,16.84275495266511,17.760728265153098,18.52713675571939,19.17067883757141,19.71444458907573,20.176843570635487,20.572526246274336,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_70,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2096251272270848,0.5952260720372566,1.5567543022090011,3.486065844718868,5.523267762843553,6.883066264016063,7.593441865836999,7.923949619696448,8.047642504769094,2.760637506029078,0.4858877103954141,0.0439145170941679,9.804306614665949,4.145980981917761,5.30399905431919,0.7992277502664589,9.828421304784184,22.29737571781102,1.0403983396547436,8.060579663004612,1.062013297025483,32.60403226886444,3.06567048729376,7.820756012661962,0.0808270335694255,-8.060579663004612,-1.062013297025483,-0.9809634441216982,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,16.839182929859373,17.757132838216595,18.523641283637147,19.167346110075563,19.71130298432516,20.17390195413721,20.56978255886992,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM0531_71,RSM0531.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2095701557005631,0.5951777155867752,1.5568196748414824,3.4862352889364785,5.523455016324355,6.883244633523487,7.593612100003981,7.924115492952279,8.047806666338081,2.760783305987509,0.4858307229517373,0.0438913716830363,9.803779317282542,4.146803431574846,5.303264347884436,0.7996525982076018,9.82981927513886,22.30094117073573,1.040436060355744,8.057688775797743,1.0619455709776002,32.60349859933216,3.0701383132112814,7.830891937676784,0.0812993821094858,-8.057688775797743,-1.0619455709776002,-0.9662851392868712,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0531,16.847008004735176,17.764562177099947,18.53059354706288,19.17379893498489,19.71726569580185,20.17939998593032,20.57484862921325,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].cat0,"linker [O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [Ga], [OH], topology "
RSM1868_0,RSM1868.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,23.0,50.9415,4.0,5.0,1.63,153.0,0.0215599326320081,0.360505954759701,1.4018958775817911,3.1183110681638246,4.943727746017712,6.216464220371731,6.898967676800151,7.220455544991188,7.341400859645292,2.4839980268980204,0.2323956172164896,0.00015772592177,7.076476181942974,3.2391660761272645,3.738360718459039,0.6169935154884508,15.365870042283431,35.723757602289744,2.05236364988751,10.61656677755882,1.7421711494134582,88.82124412826741,-15.365870042283431,-35.723757602289744,-2.05236364988751,10.186849467592426,1.7421711494134582,-88.82124412826741,0.0,0.0,0.0,11.0,1.81,0.0,-22.0,-49.93356,-3.0,-4.0,0.0,-122.0,RSM1868,17.786910664802708,18.503831683732773,19.12590489955028,19.66662635576952,20.13763786783271,20.54894899966161,20.9091278347892,[Ni].[O-]C(=O)c1cnccn1.[O].[V].[V][V].cat0,"linker [O-]C(=O)c1cnccn1, nodes [Ni], [O], [V], [V][V], topology "
RSM1868_1,RSM1868.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,23.0,50.9415,4.0,5.0,1.63,153.0,0.0284679840174769,0.4010693447561651,1.3171979061101555,2.597446865375559,3.970107868330997,4.963243674498871,5.507584127433698,5.7666509413066045,5.86453810463583,2.130723280637828,0.2675543296964547,0.0002574339647924,4.070544309597515,2.327952096745756,2.2073288183767854,0.5369836363805417,15.102862741586245,35.16208123701826,2.0143940414550383,10.897137258413752,1.7913096080353612,87.49326919392145,-15.102862741586245,-35.16208123701826,-2.0143940414550383,10.781984926773449,1.7913096080353612,-87.49326919392145,-15.0,-34.9421,-2.0,11.0,1.81,-82.0,-22.0,-49.93356,-3.0,-4.0,0.5700000000000003,-122.0,RSM1868,16.32390680528098,17.143253631361077,17.864566723693816,18.499596682765112,19.058971928906782,19.55223284462052,19.987861177164127,[Ni].[O-]C(=O)c1cnccn1.[O].[V].[V][V].cat0,"linker [O-]C(=O)c1cnccn1, nodes [Ni], [O], [V], [V][V], topology "
RSM1868_2,RSM1868.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,23.0,50.9415,4.0,5.0,1.63,153.0,0.0179796176866082,0.3371957400248772,1.29545703440548,2.728952518593283,4.169688074806118,5.155212638982532,5.680475121892258,5.927366288167158,6.0201751524005225,2.21320999855049,0.2149902618052932,9.052173610406951e-05,4.884067491482096,2.4792745517317383,2.6094829736325167,0.5451433727364621,15.235025403476005,35.43387259500531,2.034161512838178,10.658239750351752,1.7500284744622394,88.12586478068515,-15.235025403476005,-35.43387259500531,-2.034161512838178,10.319264665386488,1.7500284744622394,-88.12586478068515,0.0,0.0,0.0,11.0,1.81,0.0,-22.0,-49.93356,-3.0,-4.0,0.0,-122.0,RSM1868,18.07636288791534,18.81227799046493,19.44527221719196,19.989740586486214,20.458774484027547,20.863861352268174,21.21485617164285,[Ni].[O-]C(=O)c1cnccn1.[O].[V].[V][V].cat0,"linker [O-]C(=O)c1cnccn1, nodes [Ni], [O], [V], [V][V], topology "
RSM1868_3,RSM1868.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,23.0,50.9415,4.0,5.0,1.63,153.0,0.0219321190311012,0.3634703936111407,1.396241150475334,3.08708090726136,4.889961408139391,6.150009706044239,6.826501542807158,7.145321598922511,7.265288509123944,2.461989405700433,0.2348873823970662,0.0001596288725,6.879362553685406,3.183369943029981,3.624893239778036,0.6112769539129969,15.343898292366674,35.67579087394728,2.049271029447729,10.630129949680072,1.7446185834225287,88.70750449662417,-15.343898292366674,-35.67579087394728,-2.049271029447729,10.219979093819314,1.7446185834225287,-88.70750449662417,0.0,0.0,0.0,11.0,1.81,0.0,-22.0,-49.93356,-3.0,-4.0,0.0,-122.0,RSM1868,17.665384419803683,18.39162589736854,19.02279727713914,19.5721374098068,20.051148939290982,20.46978623962074,20.83661592941625,[Ni].[O-]C(=O)c1cnccn1.[O].[V].[V][V].cat0,"linker [O-]C(=O)c1cnccn1, nodes [Ni], [O], [V], [V][V], topology "
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RSM0183_3,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399252685833339,0.4897819896701817,1.2986572388055526,2.536033698257704,3.66233713676798,4.375204490167665,4.740878290425477,4.909867689813701,4.972951377184009,2.1024198436454657,0.386586872319994,0.0198787597947023,7.27447203347145,1.6318312479752446,4.944868872286058,0.1929118996953154,1.7360300593063642,3.813000703309643,0.3401430491358092,4.457174452392837,0.1363543258749189,15.129863142974823,1.7360300593063642,3.813000703309643,0.3401430491358092,4.457174452392837,0.1363543258749189,15.129863142974823,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0183,3.531006073696038,4.1755355958393645,4.83906908631887,5.506294253797378,6.165159440888064,6.806903365458009,7.425702555249212,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_4,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1356132004049796,0.4643378364782942,1.213614476897127,2.5118187462943538,3.770866372889949,4.577586979235069,4.991487892357013,5.182574771432522,5.253864981579911,2.0411677830091164,0.3705163005607814,0.0187646398848588,8.07304687237636,1.7636304257534343,5.389511513425851,0.1260504530964707,4.160932743600331,9.194888426894291,0.5959130320159788,5.642717610535799,0.2304659140103773,23.33427473894932,4.160932743600331,9.194888426894291,0.5959130320159788,5.642717610535799,0.1835299227362007,23.33427473894932,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0183,3.3852634141109346,4.072779646464317,4.7814987045194615,5.4922887112893175,6.190956547993535,6.867797118751944,7.516812063295007,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_5,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.14438761825212,0.4991718473784781,1.3214303726085812,2.5723353988073985,3.707335139916089,4.425305713163057,4.793622120050472,4.963849616661374,5.027398869688562,2.134726353060384,0.394360929705071,0.0211487224730939,7.421389385977418,1.6951701316412813,5.0320822503490215,0.2089282869777564,1.6089922082891082,3.53430746132279,0.3155764926060169,4.133604149137244,0.1256955475890273,14.045393440975642,1.6089922082891082,3.53430746132279,0.3155764926060169,4.133604149137244,0.1256955475890273,14.045393440975642,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0183,3.8613365786432032,4.526758230062594,5.20340858501527,5.87694471973593,6.536430821408977,7.174179457574118,7.785313536874574,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_6,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1355717267313285,0.4922607220923721,1.5135115289730623,3.4090622646224182,5.252419803321097,6.429969910605517,7.032878489749896,7.310931241244527,7.414618571822539,2.719290520653741,0.3829912733414336,0.0186888978722594,11.555378566171257,3.125413898504135,7.702390971577636,0.5640621511352137,4.290785660071048,9.39816764220172,0.7690432963471646,9.889514778261344,0.3936427454291101,32.78772470180814,4.290785660071048,9.39816764220172,0.7690432963471646,9.889514778261344,0.3857339275350098,32.78772470180814,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0183,3.2397560046760083,3.9125411159863432,4.608128798610414,5.308203947504805,5.998872000246146,6.670381296705448,7.3164879626342225,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_7,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1382521161050767,0.4927900926728873,1.3315348596608687,2.6579769743355484,3.951357562119162,4.815692928693244,5.271977007487052,5.485643111529725,5.565846066142505,2.183451112288779,0.3869465922514721,0.019397966894359,7.749785173986203,1.768598549047879,5.247367377283779,0.2043787677491552,2.029624795004365,4.465170416268544,0.4048254971252599,5.268228772006444,0.1443826055890928,18.18966082374637,2.029624795004365,4.465170416268544,0.4048254971252599,5.268228772006444,0.1443826055890928,18.18966082374637,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0183,3.350826116588401,3.986706048996041,4.645525498569379,5.311365799513958,5.971548295992846,6.6167399563242775,7.240629542893913,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_8,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140901713363528,0.5006780577267812,1.5103110677340956,3.3700824351736896,5.18105142818618,6.340324190949428,6.934593948829548,7.208820357877835,7.311105748278663,2.6934169092248093,0.3910958222981334,0.020168716155046,11.27396025289369,3.038792793704978,7.543367308725038,0.5553993097805149,3.977978252130479,8.706223377361727,0.7268021562094192,9.52463652760001,0.3775332941625956,31.183891297825536,3.977978252130479,8.706223377361727,0.7268021562094192,9.52463652760001,0.3737081659596553,31.183891297825536,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0183,3.471615403590613,4.160767488815269,4.867471398007711,5.573833113650703,6.266555676782388,6.93651813434512,7.578068462999244,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_9,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1334549218563496,0.484112761786354,1.3140507521723868,2.6201522291387724,3.884434470415623,4.725340223832086,5.1682423721946025,5.375431671290431,5.4531709202606535,2.154076652720418,0.3792799929005164,0.0180841697963989,7.610899656612117,1.726923112073266,5.152316355445406,0.195377500021893,2.113349269984123,4.64593166479861,0.4181689955711019,5.458701234552938,0.157386251592906,18.70508334005652,2.113349269984123,4.64593166479861,0.4181689955711019,5.458701234552938,0.157386251592906,18.70508334005652,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0183,3.084915886483178,3.689831847636905,4.32574333004366,4.976237177599978,5.627768246303474,6.270028090372689,6.895760110798785,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_10,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1752188175055651,0.5510901980397598,1.4144810635380474,2.828247430841277,4.158382719333211,5.001682409658291,5.432716352422678,5.63142165357999,5.70551191109709,2.323245848997967,0.4420680627933611,0.0309006927843946,9.166091139842026,2.2766437799444166,5.670372155659419,0.1464310824202991,4.146731300662964,9.13553881922397,0.5989264801148849,6.052311503532623,0.2849355561571208,23.321215694715978,4.146731300662964,9.13553881922397,0.5989264801148849,6.052311503532623,0.2437093898992719,23.321215694715978,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0183,4.065895409974308,4.724402665768027,5.388341930496497,6.046440646443793,6.689289387334821,7.309671307544309,7.902506755914305,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_11,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1374203730843563,0.4780794184303112,1.2589087610484049,2.538351352869685,3.790683505862455,4.6177235120414455,5.050602922856172,5.252441135994685,5.328064249016963,2.0773985079317345,0.3789342229031173,0.0192037937516227,7.5152831653846,1.616031651916786,5.089662066013837,0.1457595666765695,1.915659143848021,4.213445763760395,0.3811159144273777,4.964586459267044,0.138329560188037,17.099818290676335,1.915659143848021,4.213445763760395,0.3811159144273777,4.964586459267044,0.138329560188037,17.099818290676335,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0183,3.457405078964148,4.1027653813468925,4.767787348340157,5.436938795127628,6.098075584116158,6.74241675636461,7.364153068373343,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_12,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1718402662699185,0.5486714795963112,1.4274714215475657,2.864707423223544,4.212155983855933,5.065061935764992,5.500755833448591,5.701567568876462,5.776437481961933,2.352060984595166,0.4385934258865959,0.029727427775505,9.356932375843936,2.363507279431217,5.785206040744121,0.1627723978447241,4.037863340139745,8.889926743425164,0.5822743790038627,5.942502304873916,0.2889835264948224,22.602276450671628,4.037863340139745,8.889926743425164,0.5822743790038627,5.942502304873916,0.2496470112477261,22.602276450671628,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0183,3.780183369746013,4.436920514269543,5.10243491243569,5.764809162750581,6.414335875713996,7.043773700737597,7.648239834157069,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_13,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406336695153352,0.4871662426794328,1.285958899828893,2.567149991807805,3.7905291051032735,4.586626805243943,5.000475111730734,5.192870827993429,5.264869602864977,2.109761855112733,0.3857605015090179,0.0200919218445309,7.653680226964361,1.6855370579116775,5.15828765635521,0.1614023440201515,1.913041706229794,4.206801964027117,0.3797281066843139,4.950866559704304,0.1399614120155397,17.015758936753,1.913041706229794,4.206801964027117,0.3797281066843139,4.950866559704304,0.1399614120155397,17.015758936753,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0183,3.673608714384737,4.337265779013404,5.014469147069612,5.690388399726506,6.353732678687743,6.99655549887378,7.613787059457645,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
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RSM0183_15,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1366103790784709,0.4908949886520745,1.4042587262823996,3.0604659190406185,4.754976170954331,5.884081090641852,6.47506944584235,6.750386640998175,6.853486515431912,2.449830004141384,0.3844153931091524,0.0189483991725321,9.75635648990367,2.2456635081234806,6.678478416296713,0.3728903351151856,3.0439503466019504,6.683397742791719,0.5941499970415607,7.797150322934437,0.2438206760476779,26.3707480598995,3.0439503466019504,6.683397742791719,0.5941499970415607,7.797150322934437,0.2438206760476779,26.3707480598995,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0183,3.3081144207823843,3.935609613816081,4.587449744859182,5.247853761182355,5.9041263160014665,6.546838678466489,7.169548496111612,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_16,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1781774578051212,0.630960655084882,1.8013528640976966,3.680868157185947,5.438448295417974,6.557516144242446,7.131507215606398,7.396587533332697,7.495502883382745,3.0132551278712563,0.4892718610046636,0.0309312602091854,11.48466873349988,3.8154965092668327,7.785398494387756,1.2785707678027312,3.7963602813537,8.25537693215332,0.6129749878166549,8.103124211453432,0.4717572509786565,24.36711714862209,3.7963602813537,8.25537693215332,0.6129749878166549,8.103124211453432,0.4632281656581777,24.36711714862209,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0183,3.081901474126175,3.734907785703567,4.398985053888625,5.0608905703773965,5.711098737792083,6.34304558468021,6.9524998819901205,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_17,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1341038654679948,0.485565850078913,1.369320505028262,2.949551962236284,4.564684136132674,5.642448554072521,6.207181505698764,6.470416754950621,6.569016775026371,2.367694667075974,0.3803796317057399,0.0182488779319909,9.229663216177803,2.048913388201759,6.332360626570378,0.2992034009347128,2.9578303365972114,6.488022643423624,0.5711929402553784,7.527373858640238,0.2498316903963385,25.194354134890435,2.9578303365972114,6.488022643423624,0.5711929402553784,7.527373858640238,0.2498316903963385,25.194354134890435,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0183,3.176856027864718,3.78342364846999,4.418564202522588,5.066508720511182,5.714290170648966,6.352070746677692,6.972951864220387,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_18,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2068128297126116,0.9182335414345169,2.2166347158004367,3.919425613759404,5.389502565416869,6.294831318057913,6.752880196623181,6.963224807891283,7.041538680834756,3.336979477999982,0.7145451514854473,0.0191929655177702,10.381546743011311,5.758079875912831,5.6733545948182,1.7770631790547713,2.302485747950742,5.016015834467541,0.410902148654483,5.589702937186607,0.2653235043214491,19.73047171284337,-1.806535738594088,-4.02609961579166,-0.410902148654483,-5.093752927829954,-0.0223079997366887,-19.73047171284337,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,9.193957393539945,9.90966580195443,10.621112818467978,11.320936817028912,12.002345557081917,12.65983740336923,13.289407157428032,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_19,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160713845447332,0.9120890484929126,2.144721354413475,3.72662698300966,5.106562517744769,5.970162824942172,6.411285303754496,6.6147762609623335,6.690683489855042,3.185626535064653,0.7147397485619426,0.0230119880193492,9.864846367502352,4.929443629231451,6.036527350912255,1.6748198077550676,2.14829199689072,4.727428250341865,0.4296583993781438,5.58555919191587,0.1503804397823501,19.33462797201647,-2.14829199689072,-4.727428250341865,-0.4296583993781438,-5.58555919191587,-0.1503804397823501,-19.33462797201647,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,9.502147412842572,10.2754518254028,11.01882161930902,11.730022494417955,12.407694558194343,13.051124211877989,13.660128322792149,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_20,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2223611776294061,0.9418922114069816,2.237638387425892,3.942545883745218,5.417014406321465,6.325748665879527,6.785707649262559,6.996971129283768,7.07563380376853,3.3588656263397536,0.7380184424907276,0.0227225582547729,10.556746756448188,5.859177118982758,5.7501113821871765,1.8245869352388977,2.283580701337274,4.976494540247489,0.4091550905180988,5.556821425482065,0.2597288535672565,19.601005317048344,-1.8079702038437149,-4.027175987250345,-0.4091550905180988,-5.081210927988506,-0.0266797097954124,-19.601005317048344,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,9.143106217850136,9.844566097692066,10.54235627289264,11.229820879972388,11.900601110165727,12.549367827673706,13.172089472652988,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_21,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2210792615758602,0.9200780381232984,2.157395365183563,3.7531749485189936,5.1540178622990656,6.035053886887225,6.486327982446556,6.694776027983458,6.772575864716422,3.206291759299429,0.7222393872498468,0.0243522693948786,9.980712521196812,4.998754229031173,6.0851162467573845,1.695028093300448,2.175230064465832,4.786706868820415,0.4350460128931664,5.655598167611164,0.152266104512608,19.577070580192487,-2.175230064465832,-4.786706868820415,-0.4350460128931664,-5.655598167611164,-0.152266104512608,-19.577070580192487,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,9.550022446111846,10.322584613598064,11.064583595123056,11.773676494555795,12.448593372761042,13.088792890230303,13.694276013050391,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_22,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2236025116781038,0.9311518503251284,2.1820968157063176,3.938474620705141,5.579273830978257,6.63576378518044,7.181255673384484,7.433958990798052,7.528379232359383,3.3190191690613946,0.7334498770727014,0.0228476487667307,11.291461854144297,5.328484210423849,6.6724811215627655,1.7378103129391391,3.70402021914996,8.15169502311079,0.5582809037256221,6.285897557629991,0.3065340456067252,24.50370196911864,-0.831916656259069,-1.8298699399443008,-0.3489064713561837,-5.821599966987641,-0.0790282261919739,-18.641217862774365,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0183,9.035086305547432,9.765927387623575,10.485488187292496,11.188975200973983,11.8716150623889,12.529296751772277,13.158868774111044,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_23,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2159158874505656,0.9169434563481444,2.1701006512091445,3.7727605552476544,5.150317794463402,6.0044107572710415,6.438901457676485,6.638997862463192,6.713589453876224,3.227381100988898,0.717743732645799,0.0226379204221856,9.967692252166746,5.061484821287751,6.023340393301548,1.7142889674255963,2.192329247748521,4.8243345107915045,0.4384658495497044,5.700056044146155,0.1534630473423963,19.73096322973669,-2.192329247748521,-4.8243345107915045,-0.4384658495497044,-5.700056044146155,-0.1534630473423963,-19.73096322973669,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,9.584383019222388,10.346689922781168,11.076808021685348,11.774106610399311,12.438264989499231,13.069186588980887,13.66700790183535,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_24,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2309619617817829,0.9427221924572649,2.1850711573245323,3.932490465776484,5.569691993076858,6.624305600057854,7.1687409446549015,7.420918770592441,7.515135952245986,3.3152620754353084,0.745067021110202,0.0245110624704262,11.257904168249764,5.325846579857152,6.657917018314883,1.7459940622587504,3.304743466045729,7.255020715756984,0.5091399127784525,5.990593440701267,0.3027341181106354,22.89152493497447,-1.015950479754306,-2.252890988061173,-0.3549988763815544,-5.474422372974171,-0.0498102949243586,-18.575575915861325,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0183,9.057372116681307,9.77700909931108,10.485086859991252,11.17741790023508,11.84967443894886,12.49802494066798,13.119454456516785,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_25,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2126313235612667,0.9144831109279736,2.168972466339816,3.78791073531057,5.2010154980225325,6.085892963478836,6.538175438990366,6.746896556572309,6.824769069407547,3.2339965182811845,0.7149035131852665,0.0214555748031601,10.069123782529456,5.078837605870032,6.084826471454539,1.7098027534916216,2.212658840099546,4.869070835898737,0.4425317680199093,5.7529129842588205,0.1548861188069681,19.91392956089592,-2.212658840099546,-4.869070835898737,-0.4425317680199093,-5.7529129842588205,-0.1548861188069681,-19.91392956089592,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,9.641347522439144,10.39149711557972,11.109299783813132,11.794679248664067,12.447699112076949,13.06850947845885,13.657382952879567,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_26,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2116714012360185,0.9013125713270242,2.1304028838910987,3.7259308377543343,5.1312923137947095,6.015383822214158,6.4681161243663965,6.677205555629728,6.755239335513011,3.178063687662319,0.7053784215389446,0.0221936324286982,9.942579702604856,4.944055645705454,6.0488166225926205,1.652162947779561,2.119665435932224,4.664434014371527,0.4239330871864447,5.511130133423781,0.1483765805152554,19.07698892339001,-2.119665435932224,-4.664434014371527,-0.4239330871864447,-5.511130133423781,-0.1483765805152554,-19.07698892339001,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,9.62828636482825,10.408444450797017,11.156757007319486,11.871240383064322,12.550754012350374,13.19478878396363,13.803355547448556,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_27,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2176647818156901,0.9156305600418788,2.15060766985375,3.755784285232212,5.17148415219764,6.061700664981438,6.517305229111882,6.727649551263146,6.806139448283408,3.2041360190142334,0.718048369501252,0.0233027226793821,10.079346345709316,5.028791903635206,6.098961388992581,1.6780031635733168,2.274190372088152,5.004474171679326,0.4548380744176303,5.912894967429194,0.1591933260461704,20.467713348793364,-2.274190372088152,-5.004474171679326,-0.4548380744176303,-5.912894967429194,-0.1591933260461704,-20.467713348793364,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,9.671670497028884,10.444010970098985,11.182693596674287,11.886607782650051,12.555346188842304,13.18895133236686,13.787806316024968,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_28,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2138982732805758,0.9100026126732432,2.1437747795913022,3.7400029007479416,5.152690582074808,6.05087092274639,6.51439505770335,6.72933762691007,6.809699118076612,3.19206102905779,0.7127928768817883,0.0221546152759845,9.98411016958054,4.910809946090279,6.160525898122101,1.664532243793902,2.2539758695773213,4.9580932587315845,0.4489395586992551,5.845492339171363,0.1616751028244515,20.24867052187171,-2.23541971741523,-4.921055179016049,-0.4489395586992551,-5.826936187009271,-0.1525825882650267,-20.24867052187171,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,9.505846285040038,10.277040582216962,11.016954015827954,11.724287040207807,12.398219658033382,13.03831930644394,13.6445238851743,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_29,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2134622985581939,0.9135001060025554,2.1543002031983622,3.753609178814808,5.166442823693925,6.06478542166303,6.5285193467587215,6.743592198547484,6.824007821488933,3.20522908799812,0.7150543297130482,0.0216354418499797,10.02758540748662,4.960058561959855,6.157112763524861,1.6813228305999324,2.261651544445989,4.976639847390514,0.452093711795847,5.878401238812764,0.1588124620072556,20.35013195814689,-2.2592855735124813,-4.971917369407233,-0.452093711795847,-5.876035267879257,-0.1576531362498369,-20.35013195814689,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,9.609954965888502,10.363816631656334,11.086267074138584,11.776670636829335,12.434700868408491,13.060255789110489,13.653460643969565,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_30,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0998934534355243,0.7106548572333784,2.1461961813330164,4.14439015808667,5.859738290027251,6.902419693319185,7.425413051880855,7.664527390990511,7.753381915645082,3.4596578979814416,0.5136196005981416,0.0034733458589411,13.139913739289725,5.438683844125874,8.443751847472106,1.642283318603642,0.65953944600169,1.4293407830385043,0.1103876264413266,1.5426404575323034,0.091360313014042,5.505449758834983,-0.4443368184115769,-0.9997963383686388,-0.1103876264413266,-1.3274378299421905,0.0140889745051134,-5.505449758834983,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,7.85611076939395,8.622628020484841,9.384502661712144,10.136152898829504,10.871867049201024,11.58641948053858,12.27546160323159,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_31,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1156057017202862,0.7713698112155627,2.292084690111351,4.306966279762611,5.986906660406989,7.008362189848151,7.523701659630779,7.76023256376894,7.848289035793961,3.627874035748808,0.5608419548871023,0.0047141863808847,13.03039211865987,6.086147347580452,7.7515267167302415,1.8516897126348169,2.121807270408784,4.661438523236551,0.2486617950049684,2.3824540123680924,0.2092203010988585,10.828491302422076,0.5955491081815648,1.3028280718311205,-0.0565898374404752,-1.8739251457694155,0.0399588435344931,-5.45047649061627,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0183,7.475914991681185,8.23058664057374,8.978602915162705,9.716087836056294,10.43877622999922,11.142462239398482,11.823386034390367,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_32,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005404802754261,0.712290480195008,2.154944708393682,4.175840996793027,5.915875452632736,6.974125026249232,7.504891320703752,7.747535790982639,7.837697380656561,3.4822126047875472,0.5150051312453539,0.0035182946536896,13.362518771347997,5.515981079199653,8.586111812869625,1.6553287558517598,1.0930382254433657,2.404365335548554,0.2177060479130943,2.8346866087481204,0.0784060298497509,9.819312085478716,-1.0840222536875777,-2.3863694559240014,-0.2177060479130943,-2.8256706369923323,-0.0739882036894149,-9.819312085478716,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,7.81738059423509,8.576577059312768,9.332273132601044,10.078724230366335,10.810137436060346,11.521233786427976,12.207612894180295,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_33,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1181312777675393,0.7832397847663775,2.319505877471116,4.349812480426492,6.045774166929162,7.078794060742137,7.600399863962711,7.839889338086856,7.929059379005916,3.665299836602859,0.5698383972349557,0.0049045692833418,13.262718317386549,6.246414405183621,7.855184954008164,1.8915663463736725,2.3723773497111047,5.226066746286296,0.26638229619922,2.308764253140043,0.2116790012073526,11.154186140586663,0.9278163133660274,2.047235068635064,-0.0225299110697954,-1.8128730190512945,0.0313077034961343,-4.326319356962775,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0183,7.51979386488787,8.244594383971192,8.964553230627628,9.676452921267728,10.376463423718995,11.060584160883256,11.725064782929676,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_34,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1043300410643124,0.7232998692385144,2.1794674715690667,4.24310844973717,6.031751127112146,7.122604656316476,7.670409373342049,7.920983457124542,8.014113271693779,3.532562305776228,0.5246977334811459,0.0037862450196137,13.53115215398985,5.73855574961963,8.563376732985908,1.6978428926476312,1.0066940654516607,2.215245894275981,0.2013028859502383,2.617117153053566,0.0705440315758133,9.05952804626307,-1.006334794050722,-2.214528788559708,-0.2013028859502383,-2.616757881652628,-0.0703679885893533,-9.05952804626307,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,7.694937457458701,8.462836232828828,9.222845578450563,9.970547774360886,10.701312098057995,11.41077502451606,12.095198285139992,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_35,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1083350167627005,0.7598777703293133,2.3054004600849094,4.368319229322984,6.083830171926169,7.120251468865061,7.640868549001993,7.879298500559078,7.967977758327269,3.6725993330039297,0.5480806831967773,0.0040757365909706,13.269144830060544,6.280962032685284,7.873824066742671,1.8900254907143497,1.5393067883081342,3.3603547236912323,0.2814916248466862,3.791239787081624,0.1631279140929446,13.326366438474391,-1.275609460158728,-2.8340148567050174,-0.2814916248466862,-3.527542458932217,-0.0339162232997355,-13.326366438474391,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,8.025301617327926,8.773081152102126,9.511522872315313,10.23760252786686,10.947489006639284,11.63725226712292,12.303362395776617,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_36,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016435053467457,0.716169731223326,2.1808197115124024,4.273320620568974,6.094801966530258,7.208334731994677,7.768208963115045,8.024448865423977,8.119707244664532,3.551502169507214,0.5180626257157612,0.0035893558931116,13.759016808288347,5.8162339130913,8.681905482779161,1.6998178019324124,1.0416815656691312,2.292209776173974,0.208273075891107,2.707866172797987,0.0730505078065493,9.373869346167796,-1.0410491932419397,-2.2909475608092995,-0.208273075891107,-2.7072338003707954,-0.0727406453172254,-9.373869346167796,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,7.710593956312636,8.480629805663092,9.245141233615046,9.998696194924529,10.735865735887346,11.451705949692297,12.142089911630896,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_37,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1077187799473015,0.7592820364236711,2.316657846584869,4.407233117958599,6.1508275716473175,7.206169522773582,7.736847027535213,7.980008581450054,8.070467533939809,3.701317360852813,0.5470387542646146,0.0040417665615174,13.494389250176384,6.41262512080774,7.958293988287497,1.89970999258084,1.4522829807008657,3.168744215455213,0.2639792189529161,3.564116732324195,0.1572623007423003,12.540999282562652,-1.1875092088282957,-2.6402557667975626,-0.2639792189529161,-3.299342960451624,-0.0275231525247407,-12.540999282562652,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0183,7.9319255677164415,8.687566811519096,9.433584176281949,10.166939005151738,10.88377745572277,11.58013259795359,12.252433745460095,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_38,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0997918247789416,0.6355594810800224,1.890290737636876,3.6344134141001976,5.187557811111592,6.169576888135051,6.674036462551332,6.907391441817056,6.9945430820155465,3.031879504974983,0.462634450801293,0.0050452562355855,9.836226236084745,4.362894621846508,5.6244344141648375,1.0016665491997738,6.2689547557990615,13.975011962229132,0.620018107060468,3.368859531591232,0.5121113926039053,21.5932911564318,3.9031206427429743,8.930328710088752,0.304716020079717,-3.368859531591232,-0.5121113926039053,8.98120767720175,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0183,9.607659363543132,10.383572173685184,11.15185638423185,11.90433813126398,12.633497274661034,13.333302044394523,13.999458956309065,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_39,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2619521318452566,0.9994729579584252,2.268072905185547,4.010685151863747,5.641598573592972,6.69834992211254,7.24614702923662,7.500410535332546,7.595492539245918,3.397101586270625,0.7950381034995252,0.0343532715715531,11.298579368543525,5.551795567727638,6.795801027623551,1.91505901854634,4.050769734006954,8.826086618003625,0.5410148969609888,6.599789601826317,0.5640899967863633,22.05347257367613,-1.7484059238241276,-3.641655186104077,-0.3317090960352774,-6.599789601826317,-0.5640899967863633,-12.855487146174513,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0183,10.422022552122089,11.14382869896338,11.850608822485585,12.536790029460576,13.197168684468224,13.827653472532804,14.425494051355438,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_40,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1020717884347545,0.6465838259367787,1.913434396046404,3.668380745291144,5.234200476180965,6.226006331263953,6.735935721130096,6.971909763877729,7.060053028436658,3.061897546204383,0.471042741565311,0.0052075406726432,10.054314136562486,4.455444376130481,5.738334889566822,1.0078705540982718,6.135913048187804,13.675663624886306,0.6048976883517394,3.288875771937429,0.5065172427830849,21.13003930000241,3.810958318130689,8.72256567863468,0.2993633449499418,-3.288875771937429,-0.5065172427830849,8.908665563930507,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0183,9.588931339378576,10.339858358726303,11.086617073935022,11.821239969879624,12.536135193852685,13.22500519501266,13.883180569629449,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_41,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2686320963674057,1.012235321253775,2.281754331166092,4.030078273447668,5.666420875194507,6.725454480683376,7.273984301585107,7.528481800462519,7.623634055851647,3.4141746398925887,0.8071729135013025,0.035590272584786,11.378319114024404,5.634018925966025,6.8159782633669925,1.938609369358016,4.072636923076506,8.874853910669392,0.5426540740456577,6.602079045652044,0.5661320616452512,22.11285646126585,-1.7279669033486285,-3.595157933019154,-0.3295022540703961,-6.602079045652044,-0.5661320616452512,-12.773396663376303,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0183,10.440550134971328,11.134240788540152,11.81504430700215,12.47827659474121,13.1191537470507,13.733641405126091,14.318803970868895,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_42,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.098331458130642,0.6127249713437558,1.8109694612608749,3.5489108963157365,5.134564043292389,6.140008492674896,6.655557121926731,6.893686175505229,6.982555203284772,2.9405508304754635,0.4485444481517501,0.0048731242953728,10.145740439791869,3.857787637554764,6.148861015856541,0.8948044850095055,7.999215677543843,17.84258555588483,0.8138549782316205,4.602056306623404,0.6252403562263363,28.02721803540705,4.822900930045268,11.030081774039676,0.3517919860946626,-4.602056306623404,-0.6252403562263363,9.544698349928732,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0183,10.352873420204672,11.190864656903305,11.99687199649175,12.76713445441016,13.4984257486225,14.188545307089312,14.836428641841062,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_43,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2372301906966073,0.9638177564981468,2.331233130569634,4.137856716107017,5.716053001898836,6.695873693223995,7.193466169421922,7.422331389978298,7.507594772336933,3.51755716403418,0.7525094358459771,0.0328491922110055,10.9429690639329,6.34452348186536,5.937854727260535,1.6622383024737983,3.330753208159855,7.170674116120336,0.5108634602773534,7.417660890378682,0.5592558054158867,21.762400643572807,-3.330753208159855,-7.170674116120336,-0.5108634602773534,-7.417660890378682,-0.5592558054158867,-19.106676178615466,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0183,11.353034582771294,12.308565264053392,13.198281548400171,14.020430637937602,14.775607730312728,15.466200909528228,16.095788843124577,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_44,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0986940251112551,0.6151122252726632,1.8175710139024288,3.5539642696331315,5.13484398741423,6.136729250400493,6.650390143150679,6.887639690661351,6.976179643827849,2.9468312422998646,0.4501469706958378,0.0049096854834761,10.150377381194742,3.869064531251362,6.14627077709156,0.9053962402463162,8.111893237590671,18.0977830416554,0.821356169299772,4.560012349989926,0.6303428921700801,28.22984003689444,4.9881106049961685,11.400626974665617,0.3695532709353951,-4.560012349989926,-0.6303428921700801,10.157724102319364,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0183,10.425532048051236,11.24844043471125,12.040782394256675,12.798917875744808,13.519659576572112,14.20076630857052,14.84107386525248,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_45,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2353957512224532,0.96919361079997,2.356559213777902,4.188927968721235,5.786064263829944,6.776371040641177,7.2790207823854365,7.510162640520666,7.5962669749618525,3.560284780370731,0.7552910609916081,0.0317571045475143,11.2032613509975,6.528178144102577,6.063964442322304,1.7158345879221537,3.288423106434918,7.07887179472873,0.5037147270959285,7.318140923202346,0.5535263952516601,21.47926280313388,-3.288423106434918,-7.07887179472873,-0.5037147270959285,-7.318140923202346,-0.5535263952516601,-18.8179153645404,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0183,11.276830434655908,12.227378059838417,13.113574102151643,13.933497301776391,14.687600398650432,15.37813968022546,16.00857398363779,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_46,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0808068714873764,0.5946937012047065,1.834657312983232,3.5427809024906285,5.070060306398603,6.03940802599119,6.538134505224095,6.768972872502816,6.855203590575694,2.952448019211241,0.4240464299979805,0.0033030595126283,9.764422173160783,3.965685668714345,5.853427317795745,0.9763278232959436,7.552083378877212,16.867404354465325,0.8038224721765546,4.762340414014595,0.5372420253150612,27.08681016859341,4.38009899347874,10.001321200028002,0.2809213798558047,-4.762340414014595,-0.5372420253150612,6.170766475763418,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0183,10.835805308642438,11.706299930957572,12.544761782649198,13.344318248365203,14.09967432158832,14.807619128974869,15.466902231818622,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_47,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0807283423646651,0.5952596099678471,1.831111803972315,3.5366374350852405,5.066823524289146,6.040153986099713,6.541482286352768,6.773641565247943,6.860383911085361,2.9464667911041897,0.4246945766365672,0.0032762288177473,9.791569603879834,3.949118664916618,5.894970045470288,0.974390527637602,7.816080739462004,17.463780877138102,0.8281980401622181,4.798856071114567,0.5478142396524949,27.793154090534628,4.662848541255292,10.636101909963644,0.306250076266627,-4.798856071114567,-0.5478142396524949,6.915235534710982,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0183,10.801998643706296,11.677489200387866,12.520140722132432,13.323067424453797,14.081084629690448,14.79112223497852,15.452061015958398,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_48,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1044707592870715,0.5944149881952231,1.657018690042769,3.274279844868744,4.8339945631336665,5.849311715615964,6.375437945195483,6.619484283855927,6.710713494658765,2.694997522029981,0.4441636343180908,0.0056167918714132,9.767962516512302,3.134464137493544,6.014790567998225,0.5216539131299949,6.795597458726487,15.091552030260326,0.7913828347945397,6.309680028325403,0.57722198430626,28.057356009099568,2.026376799665447,4.773649305137648,0.0106148250592722,-6.309680028325403,-0.57722198430626,-3.1733643803111327,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0183,10.527751172461588,11.294799100916562,12.04731879617938,12.77851052133314,13.48210220458107,14.153204179394828,14.788539880444926,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0183_49,RSM0183.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1065979601975191,0.6043422109658667,1.6831015749035003,3.317484274766856,4.886743804772889,5.906025473695605,6.433728755371881,6.678417116487812,6.769873150722479,2.7331114899387403,0.4516767853230341,0.0057996044375196,9.96498850968188,3.2413699176977846,6.0930054733246495,0.5385652698905873,6.823003936143759,15.149289338793652,0.8020500568534771,6.497187379454831,0.5802120874754615,28.452785725881352,1.902218078760262,4.498046614067017,-0.0088480554985659,-6.497187379454831,-0.5802120874754615,-3.983138768200368,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0183,10.484827514074166,11.222276568792884,11.950908473772756,12.66364991006052,13.353670814640628,14.015388942641678,14.6448102676101,"N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1.[Cu]pts,.cat0","linker N1=C[C](N[N]1)c1ccc(cc1)c1[nH]nnc1, nodes [Cu], topology pts,"
RSM0388_0,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0102077452279059,0.2972114884989149,1.4807048838593848,3.554996902682552,5.647766763025659,7.045036592227252,7.778392807990467,8.120552077983898,8.248769235212349,2.7977084303190107,0.1759535185318677,2.526839484361376e-05,9.939667227846543,4.020337157490434,5.558463505862977,0.6616334402518906,17.000081020045837,38.93881851553949,2.000011574292263,8.999965277123211,1.8899856478775936,73.0004051002292,-17.000081020045837,-38.93881851553949,-2.000011574292263,8.999826385616055,1.8899856478775936,-73.0004051002292,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM0388,18.77337212520281,19.46045982374624,20.024888428197794,20.4926445277306,20.88359538940143,21.213007396527264,21.492692769945847,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_1,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0100149991181957,0.2950410495392977,1.4769863895024908,3.551901774668887,5.645557829633918,7.043367693235288,7.776992969989368,8.119275219898936,8.247538108730252,2.794295133710562,0.1743629414601214,2.418839181700704e-05,9.935660007948911,4.00861181825439,5.559623269188645,0.6582558526679804,17.000066906271464,38.93878828895606,2.000009558038781,8.999971325883658,1.889988148031912,73.00033453135734,-17.000066906271464,-38.93878828895606,-2.000009558038781,8.999856629418288,1.889988148031912,-73.00033453135734,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM0388,18.882151161148848,19.557002617145542,20.11094305864636,20.56966633232344,20.952801503213525,21.27542050859821,21.54917609006718,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_2,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,31.0,69.723,4.0,13.0,1.81,122.0,0.0087592580264411,0.2808474970642956,1.4140183401180773,3.3222844903590865,5.205254082541865,6.453692790032082,7.1075620941339,7.412421638584287,7.526632937497837,2.63315380098154,0.1639429948772915,1.978537253585512e-05,8.3661584821925,3.6367262728818974,4.53364635010442,0.5997528441908769,23.0,53.7236,2.000000000000001,3.0,1.63,56.00000000000001,-23.0,-53.7236,-2.000000000000001,3.0,1.63,-56.00000000000001,-23.0,-53.7236,-2.0,3.0,1.63,-56.0,-23.0,-53.7236,-2.0,3.0,1.63,-56.0,RSM0388,20.468083175829992,20.925933500767645,21.29295252731613,21.591063439250448,21.83610237157739,22.03969646963047,22.210513197739346,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
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RSM0388_7,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.071053388288399,0.6474148988865145,1.8643285221822188,3.6233278584307502,5.447457923893337,6.702359336000382,7.3702810563063474,7.683781060834093,7.801543143531585,2.981269708799048,0.4597437917480209,0.0013809532508094,8.699242733316662,4.73102618905237,4.532852324964996,1.0209845320316486,7.19412777874587,15.390179571430526,1.0277240904671734,1.4130659140364017,1.204670364956685,41.94372106999122,-7.19412777874587,-15.390179571430526,-1.0277240904671734,0.5138758468992137,1.204670364956685,-41.94372106999122,0.0,0.0,0.0,1.0,1.25,0.0,-14.0,-29.965822,-2.0,-14.0,0.0,-76.0,RSM0388,11.38652422448746,12.32759076846109,13.215059001544011,14.044784565145433,14.814908676088107,15.525591193188708,16.17855156338522,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_8,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0725671681927788,0.6368285709367584,1.7780087333694483,3.3623197423277253,4.950130027162864,6.026501302243571,6.596298266681504,6.863185944106012,6.96335855418388,2.792231019001574,0.456257166411591,0.0014334274144489,7.357639071301976,4.148697059525775,3.821160170155716,0.9257878448495716,7.124890867503067,15.241832920648225,1.0178415525004385,1.231940182505698,1.2278764748994566,41.62445433751534,-7.124890867503067,-15.241832920648225,-1.0178415525004385,0.7323767124934252,1.2278764748994566,-41.62445433751534,-7.0,-14.974362,-1.0,1.0,1.25,-41.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0388,11.51272728498184,12.544416005360349,13.499938122197118,14.37810361471668,15.180548874724677,15.91080424166725,16.573541855615517,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
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RSM0388_10,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0710956367311446,0.6475507246447209,1.8650470376564945,3.626035501055669,5.4519107314853645,6.707693266646544,7.375993460893628,7.689651883315581,7.807470483001155,2.9832382706191,0.4598640998698276,0.0013825124114495,8.713944939375715,4.7372046392384135,4.540815720982752,1.0221290276219543,7.1926829710575335,15.38708486679567,1.027517218276229,1.4104010527773376,1.204920339996158,41.93645181645519,-7.1926829710575335,-15.38708486679567,-1.027517218276229,0.5169429958174889,1.204920339996158,-41.93645181645519,0.0,0.0,0.0,1.0,1.25,0.0,-14.0,-29.965822,-2.0,-14.0,0.0,-76.0,RSM0388,11.38366749384024,12.328614381248814,13.218753579537106,14.05027595903586,14.821567144163376,15.532964332189866,16.186315470187555,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
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RSM0388_17,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1679776868572709,0.7193936838519731,1.6383090877961513,2.9254362770540814,4.210859010131512,5.080933795589665,5.54159076903423,5.757415581352635,5.838434268972821,2.4625030733161286,0.5668635814832512,0.0142527676332229,5.805512054714808,3.3183359276403985,3.1579372091446616,1.0775986265040467,1.7027334587847365,3.3958677920394003,2.102599837235327e-05,1.7025652507977576,0.7576397493951408,8.513372929946469,1.7027334587847365,3.3958677920394003,2.102599837235327e-05,1.7025652507977576,0.7576246106763126,-8.512069318047383,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,0.0,0.0,0.0,0.0,-0.3599999999999999,-10.0,RSM0388,10.306924281784946,11.090282274978456,11.796059010249817,12.435606297733807,13.019592954152154,13.557176518929513,14.055787027469568,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_18,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1601706180078902,0.7867513609922847,1.888851516771327,3.5042599064826683,5.156854951015781,6.280186688121444,6.874710378087613,7.1530793395453145,7.257541168170151,2.915854481428732,0.6084498923321515,0.0106352824381258,8.103793809825593,4.407292551957615,4.382033275873702,1.2924304422023625,1.4347088124133462,2.866658444660489,0.0051861035527621,1.4761976408354434,0.6287214773625099,7.277266133121974,1.3828477768857244,2.7525355392081106,-0.0051861035527621,1.3413589484636268,0.6250912048755765,-7.277266133121974,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0388,7.394588650843946,8.139707545448033,8.87096282325304,9.586888602048072,10.28569985461662,10.965370364194213,11.623834028784474,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_19,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1589797929837541,0.7831283010255378,1.8538576886564035,3.333316652589025,4.80189552378243,5.792515157954787,6.315925516627894,6.560903321161322,6.652825537229531,2.8027061002532405,0.6057857126747638,0.0104412856214866,7.466587469557252,4.0796584204467,4.069952893262474,1.239861901373805,1.7260559776750233,3.4969535439247457,0.0529517704470016,2.1496701412510366,0.6688103404772571,9.689315297315147,1.1965382732050065,2.3317223003178413,-0.0529517704470016,0.7729241096289928,0.6317441011643559,-9.689315297315147,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0388,7.463774517236826,8.216889785422465,8.956433410406362,9.6806288814274,10.387370703989372,11.074354240549804,11.739304847387611,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_20,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1612894491150132,0.7214182934163598,1.841408764456587,3.64894925386366,5.450778575914075,6.638294450927192,7.256686264357014,7.54411704323526,7.651652538534523,2.991084496407342,0.5609015398869047,0.0131177040552457,8.963797317044126,4.777223508126368,4.835200336337416,1.258704057775644,1.7736200003764375,3.595672484613736,0.0566953151404808,2.2271825215002847,0.6829571842791133,10.002006304691806,1.206666848971629,2.348062593383581,-0.0566953151404808,0.7531043278477818,0.6432704636807768,-10.002006304691806,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0388,10.184952873716965,10.99703663197977,11.74081922112534,12.425201549679944,13.05856169312359,13.648053779115926,14.199448720246751,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_21,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1678858965466807,0.7195058729441838,1.639053844040664,2.92786472748111,4.2152994019156536,5.086643334185791,5.547915788231488,5.764013919329658,5.845132654454119,2.4642415020291697,0.5668923211143754,0.0142325691986357,5.819434659901704,3.3238531660249,3.1642838612710475,1.0779580270917728,1.703385042124295,3.3971684829225173,2.221510538402832e-05,1.7032073212812229,0.7579253696861866,8.516614199146098,1.703385042124295,3.3971684829225173,2.221510538402832e-05,1.7032073212812229,0.7579093748103101,-8.515236862612287,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,0.0,0.0,0.0,0.0,-0.3599999999999999,-10.0,RSM0388,11.18376560689673,11.968084421557368,12.675372416573502,13.316749707699932,13.90274436742516,14.442417366884696,14.94312689945237,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_22,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1601800988623082,0.7868113217948683,1.889030479268587,3.504539220454869,5.156672819978089,6.279457913901536,6.873641890522713,7.151842506327816,7.256239813800833,2.916160408592689,0.6085018647623393,0.0106333778930828,8.10606974349707,4.410232412272305,4.381776216323014,1.2920282550780775,1.4347193530192524,2.866680656822384,0.0051872582501021,1.4762174190200696,0.6287240028746259,7.277341930098305,1.3828467705182308,2.752532341654596,-0.0051872582501021,1.3413487045174135,0.6250929220995544,-7.277341930098305,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0388,7.382546354622879,8.127158245475922,8.858218930424668,9.574175777907122,10.27318198910422,10.953166479636536,11.61202968183028,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_23,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1589800236292907,0.7832190976549753,1.8543250034050944,3.3348683613726684,4.804155427646784,5.794932810154289,6.318334171194054,6.563287987271968,6.65519811654009,2.8038736014045176,0.605849093818902,0.0104370186339002,7.476035919328707,4.084820140156937,4.074028271808138,1.2401511010697954,1.726963540835628,3.4987875460373417,0.0529750520090077,2.15076395690769,0.6691705531549651,9.694318744358297,1.1972130207455505,2.333043979552081,-0.0529750520090077,0.7734126046734884,0.6320880167486597,-9.694318744358297,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0388,7.4625812843266015,8.212057304079972,8.948545456909397,9.670199298017112,10.374860565683084,11.0601764014166,11.723824689627234,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
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RSM0388_25,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0216769112529156,0.2529669773491296,1.1170972844508251,2.795799917288848,4.530507738765311,5.685636808082927,6.28969153086078,6.570968368666079,6.676280058493294,2.172302238921432,0.1664977382535552,0.0004003376981149,7.422056017316686,2.203920442804099,4.475524323538594,0.3719703681147767,3.4647216077195586,7.906751687254706,0.353294107272836,0.4679160404194817,0.3484607925141868,11.65963448472515,3.454737972342033,7.886840824039536,0.353294107272836,-0.4679160404194817,-0.3484607925141868,11.65963448472515,23.0,53.7236,2.0,0.0,0.0,56.0,-2.0,-3.9887,0.0,-3.0,-1.63,0.0,RSM0388,14.496313488970298,15.378186410220238,16.17312656523402,16.889832413500177,17.535764999308935,18.11766397042688,18.64176441789736,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
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RSM0388_28,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.022959143729028,0.2532666931040796,1.1433370360324988,2.948000704505362,4.835584518849331,6.093395569677793,6.750675398232049,7.056588847980263,7.171098960781646,2.2726830537397458,0.1673513727636876,0.0004784060261578,8.20662011920601,2.5114117466649204,4.89020618478854,0.3837482741765018,4.134336926963398,9.395577977142084,0.4272973162256696,0.9155572465984464,0.4429643130014599,14.360763390532275,3.7329157811052576,8.546534489131266,0.380285914038849,-0.9155572465984464,-0.4429643130014599,12.71536431399356,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0388,14.181775071535522,15.090341768375533,15.904396679430482,16.635528659886063,17.293151152344397,17.885224205915556,18.418693152112027,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_29,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0218763147801305,0.2500187096347503,1.202298282202256,3.197676911951615,5.265506779851644,6.625600164393559,7.3308761971103,7.657915860157472,7.780141325925321,2.451027719403385,0.1636005365947709,0.0004348508990945,9.759229304946528,3.04190814108524,5.671494790343476,0.4239894268176116,4.220763028871327,9.589018490206591,0.4402990588987571,0.8316959758375465,0.4550398162035967,14.934821805758771,3.972891788570428,9.067629729952662,0.4140658000944453,-0.8316959758375465,-0.4550398162035967,14.01665774760786,23.0,53.7236,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0388,14.281115403436276,15.195423259393714,16.014704289752817,16.74992528099989,17.410240857148818,18.00359887204204,18.53707412905342,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_30,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0148419337517171,0.2449077116506872,1.345057184101636,3.5425636239054525,5.7477567533332525,7.186081253076313,7.930874448401278,8.276204551115478,8.405272573148947,2.733298962687114,0.1500627976056381,0.0001850808041246,10.710912512370609,3.648272213960848,6.122106817905042,0.5725275024139785,6.881837301174123,15.613167233138563,0.7660631169636226,2.8162257086161584,0.7852566204454321,26.89156088912794,5.909092581171218,13.5412446587215,0.6381020476439556,-2.8162257086161584,-0.7852566204454321,22.4129234629396,23.0,53.7236,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0388,13.80584983919247,14.887387916327151,15.84847623285244,16.699278152199422,17.450930145791375,18.11458494332245,18.7008168950826,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_31,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.206755117461234,0.6444039789173949,1.5023505016318195,3.05230285285493,4.714001403881599,5.847324094699375,6.446364532699323,6.726579826287772,6.831687153660025,2.470339512482403,0.5257632293872143,0.0373899528666432,7.777030367077568,3.0458305441651583,4.605467441539842,0.6932255464652256,3.183975658614357,6.825941656053109,0.4522284627452705,5.01080177527186,0.5602545258744888,16.535480329534444,-1.372555829534736,-2.932495421565121,-0.1987046069903142,-5.01080177527186,-0.5602545258744888,-6.247177111211024,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0388,15.604631991444572,16.361134072115696,17.040849992089658,17.65185497713196,18.200986478799543,18.694402854332687,19.13779152403807,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_32,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.022943993128186,0.2587606817120407,1.0788941366269598,2.494636563724616,3.8681558691279454,4.768143153134307,5.237698876547956,5.456370083448473,5.538261960490503,1.9850411492009268,0.171375515971531,0.0004492449268393,5.834256835733738,1.76891717789854,3.5565093824257303,0.3736709173048144,2.6539063947590136,6.044056652622756,0.2748330602329881,0.3578007644261027,0.2729660910345183,9.158257879026426,2.6520581320245755,6.040098344500926,0.274569022699497,-0.3578007644261027,-0.2729660910345183,9.14901656535424,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0388,14.592925181543178,15.437720802461484,16.199399958040605,16.88775912502854,17.51045296536855,18.073903824964585,18.58378623073452,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_33,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0222570032297344,0.2552425226340363,1.1336990630960462,2.7094356924516485,4.220607428317447,5.192250931610817,5.693408945280651,5.925509254883333,6.01222576283858,2.1418603726611045,0.1673502282650061,0.000443388524587,7.079354618040903,2.249900574645244,4.134843035130448,0.3622276931921367,3.2825103740642163,7.393118416833952,0.3638561812830658,1.774799892622634,0.3827707972159139,12.223610702193293,1.9532907855116204,4.546412374976425,0.173967668632695,-1.774799892622634,-0.3827707972159139,5.577512759430314,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0388,14.28577253452702,15.192913489488076,16.00546306442415,16.734978235315804,17.390776794152444,17.980757693422838,18.511855213342148,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_34,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0199947612691754,0.2459370429088153,1.1508152137766234,3.017575208841331,4.990659450909936,6.309934127607384,6.999809551359944,7.320920403250396,7.441118217007155,2.315721543997689,0.160176344141104,0.0003395421784926,8.903430304327186,2.6380186131575565,5.322581483559956,0.4271922046673704,3.5556058083784787,7.911807906961097,0.4477150730461206,2.249703092618538,0.5100960624722998,17.16267461410804,2.548065626037427,5.770750082735002,0.3200052917886946,-2.249703092618538,-0.5100960624722998,12.692832270098132,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0388,15.648796820263938,16.539455991825466,17.325714889396348,18.019953631124583,18.633246863379508,19.175524561461373,19.6556459797262,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_35,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0263613378889549,0.3589297685852585,1.4922101843205362,3.4401495991093567,5.348011372535965,6.593826696900715,7.240384339620137,7.54052269858589,7.652757691033758,2.7352359506248773,0.2341046789951291,0.0003158175511119,9.324888770457976,3.6726810201439912,5.3321498910742005,0.7393537934707638,5.134119892205915,11.35358947003388,0.6723311663869975,4.856758814053423,0.7511517327140085,24.91664823215885,1.947896275365664,4.5298546267601765,0.2171563639812474,-4.856758814053423,-0.7511517327140085,8.985530147957597,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0388,14.281330078524713,15.297937041829291,16.20413581439041,17.008706225205096,17.72146665180643,18.35237738540697,18.9109749158453,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_36,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0777677558305741,0.3812733308047493,1.2524996181241572,2.903573472389507,4.63316388783201,5.802548877400109,6.419408365856076,6.707836791486627,6.816015070583815,2.289113397077111,0.2848410407200865,0.0061740831128218,7.922022117548371,2.405005646756652,4.849616144203292,0.3947879712798507,2.401924955223626,5.449212274779315,0.1732268595650086,0.698891735407295,0.3413633489447586,7.158896379474956,1.5165132191456232,3.683391378932151,0.1732268595650086,-0.698891735407295,-0.3413633489447586,7.158896379474956,23.0,53.7236,2.0,0.0,0.0,56.0,-2.0,-3.9887,0.0,-3.0,-1.63,0.0,RSM0388,15.041907018633433,15.796118860952934,16.464717835586782,17.06085997283973,17.59547811157614,18.07752439592388,18.51427961409772,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_37,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0761283682606284,0.3704918509671456,1.2086718131793344,2.8025771128514467,4.429501276315653,5.500924751392046,6.057732354935181,6.316249883880005,6.412920726765176,2.212522633778823,0.277777796509424,0.0059449239793309,7.650263833220263,2.2352113056443894,4.772794816307695,0.338099469650619,2.2886652135560808,5.1790976917468585,0.1631974990470848,0.7331070594465098,0.3381866937656584,6.9308624133673575,1.343502875739192,3.288155301385299,0.1574188141299197,-0.7331070594465098,-0.3381866937656584,6.7286084412665765,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0388,14.997566994190704,15.77871385910362,16.467443309201403,17.078822722424526,17.62508470585588,18.11607231556448,18.5596879300796,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_38,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0751559744333616,0.3768596170223846,1.2335386041693142,2.8946799432307024,4.619094558902529,5.7625347143770735,6.358136631779047,6.634884577909098,6.738401795495264,2.275247184310482,0.2816525242854963,0.0057067238641695,7.813610155294427,2.5314349398216587,4.654412037942644,0.4286033218123677,2.7524919955198075,6.246319068326138,0.2021647569621746,0.7816107770226164,0.3859808163930837,8.249151013445312,1.7830731245799605,4.312958543067255,0.2021647569621746,-0.7816107770226164,-0.3859808163930837,8.249151013445312,23.0,53.7236,2.0,0.0,0.0,56.0,-2.0,-3.9887,0.0,-3.0,-1.63,0.0,RSM0388,14.878222702200134,15.623585172664235,16.291783384417823,16.895042110546587,17.442452885958115,17.940975276949683,18.396132083940905,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
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RSM0388_40,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637873916133932,0.3741079036691656,1.2464297574133094,2.722657670365101,4.173402604515087,5.127752542908534,5.625579656642913,5.857281559827936,5.944024369437089,2.188738844401771,0.2717997380928885,0.0040142409639043,7.005991147211841,2.127602615007746,4.330834244150603,0.3820298417879014,3.083636080944453,6.749824613707462,0.3503649988383289,3.959038170311027,0.5606806848617644,14.454421454052236,-0.3529857207127047,-0.4952466727553336,-0.0291120152816526,-3.959038170311027,-0.5606806848617644,1.172725959852882,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0388,14.357349381587708,15.187437174866362,15.93981656798477,16.62149395824914,17.23910612914286,17.798835706145756,18.30637468981129,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
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RSM0388_42,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0951122833838012,0.4649540494215918,1.3560168599273308,3.0097674163216896,4.759137495847543,5.935288356138286,6.551890272756602,6.839194797047207,6.946782433064813,2.390178734424895,0.3525796275966972,0.0079356255282268,8.314136756468303,2.7022125714072285,5.217544679834431,0.4942619043645637,2.057455734128681,4.345870909085477,0.2352877913171943,3.939758064666237,0.474403192967524,10.287278670643408,-2.057455734128681,-4.345870909085477,-0.2352877913171943,-3.939758064666237,-0.474403192967524,-6.182866721560194,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0388,16.553922607055092,17.09124568604314,17.566865883027578,17.993612507879803,18.38076471614205,18.73506232988029,19.06144857050706,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_43,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0908175780784086,0.357747502925355,0.8680500242452587,1.7059464437492735,2.579333846332053,3.1780922508845046,3.496812537951302,3.646495959191693,3.702741911950401,1.397363771251822,0.2841445217691407,0.0085352157812371,3.5665270014432284,0.6220620175675492,2.504267321936325,0.0441110155395369,0.3843642174436741,0.7665567770587912,0.0,0.3843642174436741,0.1710420767624349,1.9218210872183703,-0.3843642174436741,-0.7665567770587912,0.0,-0.3843642174436741,-0.1710420767624349,1.9218210872183703,0.0,0.0,0.0,0.0,0.0,10.0,-2.0,-3.9887,0.0,-2.0,-0.8900000000000001,0.0,RSM0388,10.793375053623055,11.22223426838503,11.609398646749453,11.963860873112374,12.29172736026161,12.597163531735731,12.883054671937312,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_44,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.021019030799408,0.2480629087017716,1.1235732988355898,2.814172076388193,4.520553863551809,5.63823555339468,6.217918670098366,6.486851305285351,6.5873873650127095,2.190928978751068,0.162401591579701,0.0003889871076222,7.662802141320907,2.2723399755333085,4.615242199463606,0.3965426613207484,3.205455758024655,7.2933589846438736,0.3339651927969985,0.6618071726847443,0.3334135737028064,11.086701038506408,2.974024823519761,6.797717899302054,0.3009036307248707,-0.6618071726847443,-0.3334135737028064,9.929546365981938,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0388,14.780363363569784,15.661400462856031,16.450607936904145,17.15844820045883,17.793606308065556,18.36367495944105,18.87548237717229,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_45,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0216297074128132,0.2528095939081266,1.115953216619692,2.7912173523911483,4.522761292319125,5.676205174813255,6.279506958262089,6.560461448356657,6.665656916240355,2.169012971765446,0.1663603444327554,0.0003984729806279,7.397448883845506,2.1970583970732416,4.459423505866005,0.3701838154983057,3.456004869021557,7.887602147899901,0.3521607210887014,0.4668457385095215,0.3472112132089577,11.61675978631903,3.445683535174873,7.867017795742768,0.3521607210887014,-0.4668457385095215,-0.3472112132089577,11.61675978631903,23.0,53.7236,2.0,0.0,0.0,56.0,-2.0,-3.9887,0.0,-3.0,-1.63,0.0,RSM0388,14.505903702232258,15.382813798333196,16.173739464674806,16.887136730182437,17.53029903615486,18.109847528241627,18.631931523121,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_46,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0218124953591079,0.2554644748497313,1.1765343056637485,2.8801609731918547,4.535290198789644,5.602830861705927,6.153657423042869,6.408743470190091,6.504041199213269,2.2624340563980785,0.1663245595510928,0.0004295295167981,7.757326355690992,2.428801781315052,4.574945166682203,0.4035063111136468,3.2667762129781788,7.381505987287196,0.3521950270602914,1.2743563892964656,0.3709250843127122,11.90113322533756,2.415740775311884,5.563647710492787,0.2352264703201702,-1.2743563892964656,-0.3709250843127122,7.807233739433316,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0388,14.652764301747233,15.530907198643844,16.317889216164176,17.02460782775474,17.659868227127248,18.231190345796463,18.74523297906774,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
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RSM0388_48,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0229962565504753,0.2533597614263513,1.1440602595193805,2.950875016207517,4.840505407207945,6.09944203909208,6.757232320632935,7.063365506951208,7.177954995852129,2.274743033443185,0.167435136890776,0.0004802350719963,8.228772215574567,2.517958623922456,4.902852199110483,0.3841724337356304,4.142551671271676,9.414950014292142,0.4281941128439785,0.9200643234187068,0.443208444388696,14.380001607086346,3.739143435316204,8.561277629251002,0.3805367965586401,-0.9200643234187068,-0.443208444388696,12.711995537099504,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0388,14.194960879436625,15.10050452964884,15.912145059351449,16.641369395994282,17.297494385031342,17.888396226381815,18.42095086879958,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
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RSM0388_51,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2068298195780278,0.6445721547908622,1.5029235405697796,3.055013398197997,4.719792669207232,5.8553486582469,6.455578279952186,6.736349224956398,6.841664713805804,2.4721100274983185,0.5259137292560299,0.0374085579921972,7.792524734477734,3.051054381142924,4.615689721399344,0.6947559489999563,3.184303670856852,6.826077257860828,0.4524369200278176,5.012763702163104,0.5606231034669127,16.546489603582213,-1.374106974538197,-2.936384292712611,-0.1987646007429036,-5.012763702163104,-0.5606231034669127,-6.245563623393034,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0388,15.44023135322127,16.217702151663634,16.914503436438526,17.539655356445543,18.1006614973412,18.604160183093377,19.05619263995798,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_52,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0229834118699226,0.2588881402221372,1.0796626344732043,2.497024755673647,3.872862053459453,4.774702810322222,5.24530547524466,5.464479825528223,5.546562454089399,1.9867586567019653,0.1714660992522846,0.0004515492065834,5.850443431468028,1.7747419009871186,3.564034484324303,0.372667892057595,2.650709735071948,6.036467564611178,0.2745902030956099,0.3583726804246115,0.2728064959562567,9.152203962047585,2.647880403676577,6.0304081634054,0.2741860128962712,-0.3583726804246115,-0.2728064959562567,9.138057305070731,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0388,14.632285789040328,15.471233908547433,16.22813967044108,16.91257723490409,17.5320310044084,18.092790995387222,18.600427601284824,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_53,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0223525908163896,0.2556239118624865,1.133287502004204,2.707941384819928,4.21921772908451,5.191392572978982,5.692936938577652,5.925238777786706,6.012034021598537,2.140606919588388,0.167702798526628,0.0004468871251946,7.0812923162368575,2.248047334612698,4.138375384412046,0.3624567330021815,3.283620068083616,7.395988559158073,0.3638720475830721,1.7704404562270422,0.3826973003379382,12.22329897314778,1.958886741106547,4.558890461723266,0.1746244294434908,-1.7704404562270422,-0.3826973003379382,5.599632338262437,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0388,14.421166686877566,15.3093261477198,16.106131053755373,16.822548430733683,17.46740656576088,18.04820504560991,18.571555198037647,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_54,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.01974001542983,0.2461869728201681,1.1543366740018457,3.025091726692474,5.000354413963335,6.320487769912288,7.01068879378168,7.33192818299948,7.452170723614056,2.3220480606528744,0.1601002461806522,0.0003254139287651,8.932292833861283,2.653814565111075,5.33610430801798,0.4313663044687056,3.5609095906446484,7.924011062382873,0.4482480522710468,2.251857785794548,0.510760193745229,17.184315054770575,2.553789386106139,5.783996590086767,0.3207378512305817,-2.251857785794548,-0.510760193745229,12.721458018354296,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0388,15.7262606848078,16.616777125737467,17.402302939420103,18.09511857997912,18.706376807062725,19.246150162478926,19.7234475262164,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_55,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0265327915714214,0.3592414351325743,1.491843001956091,3.4406840760689854,5.3504704525757445,6.597653930400298,7.244918314778081,7.545381524829613,7.65773733947145,2.735233110675789,0.2344724891556364,0.0003224266146619,9.334068134570328,3.673692637071441,5.338150324930846,0.7388017443176704,5.1449602611371406,11.377043934402964,0.6738367842733998,4.864434328096211,0.752968637518502,24.97513223683864,1.953269183502131,4.541599774014088,0.2178809160398268,-4.864434328096211,-0.752968637518502,9.01667684866359,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0388,14.17224306034975,15.194019134177855,16.105353207079066,16.915091809579792,17.633019168569025,18.269027925564,18.83258666286428,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_56,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0777361586516973,0.3810554353452761,1.2515493840292589,2.9022773855056925,4.632028177626759,5.801587010505656,6.418542216881429,6.7070153881557735,6.815210402735861,2.2878441258733,0.2847027658326123,0.0061696502978227,7.919752575284998,2.40194193149224,4.848818661508159,0.3938190297915277,2.40706725882656,5.461069620865039,0.1737663754043887,0.6993485115396373,0.3417628384929621,7.174990154671396,1.5221831102712096,3.6963009191936766,0.1737663754043887,-0.6993485115396373,-0.3417628384929621,7.174990154671396,23.0,53.7236,2.0,0.0,0.0,56.0,-2.0,-3.9887,0.0,-3.0,-1.63,0.0,RSM0388,15.023648493627649,15.778714192300042,16.448792507913275,17.046690681886265,17.583134110217784,18.066956691788803,18.505376349228072,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_57,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0760651603023077,0.3706207050230218,1.2095785823941771,2.8050569876607763,4.433311133518269,5.505342539072845,6.0623774256649146,6.320980070688132,6.417679451353891,2.214426573138464,0.2778148124320833,0.0059338284199097,7.657597423535361,2.239795659956048,4.776397535724668,0.3391617590071329,2.30365146130951,5.213422193860184,0.1645334099147532,0.740187433532257,0.3397862462542664,6.974452295978067,1.3523913428159455,3.3096802291566725,0.1581354628668378,-0.740187433532257,-0.3397862462542664,6.750524149301028,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0388,15.292493973113354,16.036063419158765,16.694012204195744,17.279855518578874,17.80467981382592,18.277474185691137,18.705497910281657,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_58,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0750699173409201,0.3764505071597228,1.2325073639392918,2.8930242237342534,4.617422082237585,5.7611460061232505,6.35697338152743,6.633842319647359,6.737407305872763,2.273750308485596,0.2813438627163295,0.0056956380087837,7.820700381848609,2.530199869424541,4.658847353512798,0.4262189799872633,2.735481696558768,6.207335649880619,0.2006545753340305,0.7785059253407186,0.3841797524497352,8.198032101774963,1.768041076348858,4.277920448964987,0.2006545753340305,-0.7785059253407186,-0.3841797524497352,8.198032101774963,23.0,53.7236,2.0,0.0,0.0,56.0,-2.0,-3.9887,0.0,-3.0,-1.63,0.0,RSM0388,15.42670924344677,16.100686508840084,16.71075439613456,17.26608058150033,17.773521952647183,18.23837723126656,18.66491597996628,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_59,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0716328499015536,0.3674849863593018,1.3253553482203253,3.3016403940403944,5.368884243364935,6.739026684584014,7.45229610843303,7.783626022336526,7.907545348256693,2.560408807382592,0.2716393152459799,0.0052550736258835,10.230439101410372,3.3236087341359344,5.912055682827322,0.4573658516181245,4.476073088478339,10.101499003336588,0.4387769132574855,3.1229882244733504,0.6014031650814523,16.241638381998897,1.958181807539764,4.823971503855586,0.1905048079033616,-3.1229882244733504,-0.6014031650814523,7.552114694604559,23.0,53.7236,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0388,15.176528601743204,15.905625020824782,16.5593039233643,17.149628895950958,17.68541831693291,18.173364796618795,18.6187690194298,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_60,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.063805920396927,0.3738397025639916,1.246012526234464,2.7233104671190818,4.175237084652867,5.130175520191966,5.628234712482523,5.860026699118056,5.946800307718151,2.1889339028175714,0.2716304569377152,0.004019769146829,7.019652085817809,2.129895221944436,4.338969815894724,0.3816220629243449,3.06945017940054,6.718316459038341,0.3485351301207467,3.940950226183829,0.5586601519484374,14.38886039991136,-0.3540104376417372,-0.4985785694361243,-0.0290716310902993,-3.940950226183829,-0.5586601519484374,1.1726237575247462,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0388,14.260324985711472,15.09439103264527,15.850927349138114,16.53689933473012,17.158854310509458,17.722884508443506,18.23460856336481,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_61,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637541944078719,0.3772674787849753,1.3168479182839832,3.1094969912389425,4.991971770733368,6.259793349005961,6.926400272873575,7.237550770781731,7.354162281312634,2.440570803757645,0.2735397206220986,0.0039813668192822,8.815168192828304,2.820800251327112,5.319699549314573,0.4415542314455353,2.6716068740317,5.895678391265215,0.2254592272382318,1.7697699650787726,0.5491245016556237,12.00527900672911,1.1611999890182412,2.883398420138624,0.2254592272382318,-1.7697699650787726,-0.5491245016556237,12.00527900672911,17.0,38.938645,2.0,0.0,0.0,73.0,-2.0,-3.9887,0.0,-9.0,-1.89,0.0,RSM0388,14.039423510020352,14.898892323790085,15.676577635680282,16.380462078745463,17.017796602981914,17.595176032368464,18.11858968416377,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_62,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0951471731400793,0.4657219948757798,1.3580549935320914,3.0122161293404366,4.761373922392959,5.937393956612145,6.55396055775415,6.841258292934405,6.948845063495915,2.392617132064769,0.3531144245001369,0.0079212507175211,8.313612512649614,2.705346629518537,5.217545819030628,0.4976387142366187,2.060314179466132,4.351844208423478,0.2355521523604984,3.94473139835012,0.475179524186494,10.30157089733066,-2.060314179466132,-4.351844208423478,-0.2355521523604984,-3.94473139835012,-0.475179524186494,-6.187079767904232,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0388,16.501634122983685,17.065243177042912,17.562294463943978,18.006713907368457,18.40859101739173,18.77527253292898,19.112162045649583,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM0388_63,RSM0388.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0907677157460793,0.3576942147630962,0.8682614869898313,1.7073755200312992,2.582762597881654,3.183116519413735,3.5027311603347457,3.652842774631748,3.709250811433515,1.39823861586145,0.2840787726623597,0.0085258513722426,3.573468864450434,0.6243104771150728,2.5080369074633984,0.0441468614911711,0.382700482396421,0.7632387070673021,0.0,0.382700482396421,0.1703017146664073,1.913502411982105,-0.382700482396421,-0.7632387070673021,0.0,-0.382700482396421,-0.1703017146664073,1.913502411982105,0.0,0.0,0.0,0.0,0.0,10.0,-2.0,-3.9887,0.0,-2.0,-0.8900000000000001,0.0,RSM0388,17.234512754398082,17.66665000070458,18.05631239405984,18.41275233304743,18.74223159260595,19.04901166105638,19.336039055528587,[Ga].[Mn].[O-]C(=O)C(=O)[O-].[O]P(=O)(O)[O].[O]P(=O)([O])O.[O]P(=O)([O])[O].cat0,"linker [O-]C(=O)C(=O)[O-], [O]P(=O)(O)[O], [O]P(=O)([O])O, [O]P(=O)([O])[O], nodes [Ga], [Mn], topology "
RSM1532_0,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.001978588747267,0.1528014020652861,1.1855514693166926,3.4739043938099923,5.8980303861172745,7.510547627310179,8.350760230699716,8.741148862081479,8.88716587166291,2.6100843462733643,0.0781283304166633,7.640510517113542e-07,11.28499081959867,3.5219741452615634,6.957366467198304,0.3757951745791619,23.04814538113873,51.47760504242183,2.008024230189789,3.0641938415183145,1.3832596466405769,51.32096920759156,-23.04814538113873,-51.47760504242183,-2.008024230189789,2.887660777342949,1.3832596466405769,-51.32096920759156,-23.0,-51.37329999999999,-2.0,3.0,1.39,-51.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM1532,21.408385548226374,21.763322754339228,22.03914463803092,22.25754362691567,22.433323578201584,22.576840098594865,22.695500481752298,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_1,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0025663026363359,0.1730647428373347,1.2731639202254676,3.655386347825068,6.174004362437179,7.856901528665709,8.73695742840809,9.146645053937416,9.300010967177547,2.7586888836665526,0.0902572988733995,1.2744986462877362e-06,12.281882615767984,3.960931918670657,7.514510696690488,0.4459908739814948,23.0,51.37329999999999,2.0,3.0000000000000004,1.3900000000000003,51.0,-23.0,-51.37329999999999,-2.0,3.0000000000000004,1.3900000000000003,-51.0,-23.0,-51.37329999999999,-2.0,3.0,1.39,-51.0,-23.0,-51.37329999999999,-2.0,3.0,1.39,-51.0,RSM1532,20.939348308678337,21.365467722133832,21.697998942714587,21.96214813181969,22.175282244696746,22.34964013452906,22.494027600489897,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_2,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1435122648282873,0.4751369048394503,1.1994180440442612,2.6091003438377944,4.199902437048794,5.31547228131891,5.912793138354708,6.193793362321648,6.299440963486552,2.0691548825208974,0.3823645472339683,0.0209399970568041,7.513090783723693,1.6104173058197773,5.261447434334835,0.2122200425641536,2.9612755309638383,6.4554248029544645,0.5325969368675384,7.222051025904147,0.33257144275045,22.47540792590849,2.9612755309638383,6.4554248029544645,0.5325969368675384,7.222051025904147,0.33257144275045,22.47540792590849,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.6565549043942767,4.3370026910929385,5.0383935343552455,5.741458476520395,6.431862517562987,7.09975225046837,7.738989280828971,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_3,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432243467337818,0.4760886773029245,1.1756518850588549,2.4271441268518945,3.780829423306344,4.717546599597039,5.217144229426802,5.451876435377002,5.540090230181889,1.9574590597005588,0.3828204580608177,0.0208542328916988,6.544573877344461,1.3677825560861494,4.645126392947358,0.1797039304815689,3.352150486300595,7.293959827716855,0.5873009612568287,8.021088418392733,0.4040574953954763,24.368558039975632,3.352150486300595,7.293959827716855,0.5873009612568287,8.021088418392733,0.4032856684012206,24.368558039975632,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1532,3.5252243500527194,4.194718460467846,4.888735092271179,5.58758241288013,6.27641918493439,6.9448890595261785,7.586397898506678,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_4,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1435323385817013,0.4758061379086512,1.2057111746006408,2.6272464004886107,4.232380579769195,5.358897540244748,5.962356194766575,6.246304627065835,6.353070249497465,2.082742397212436,0.3826707158466423,0.0209448718567859,7.609563616089363,1.631870971750768,5.335725273008426,0.2230413761232092,2.994473756983844,6.528138532164966,0.5389034702424945,7.305701518923799,0.3355948534128445,22.7508741320554,2.994473756983844,6.528138532164966,0.5389034702424945,7.305701518923799,0.3355948534128445,22.7508741320554,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.656812193001435,4.3374999424172,5.039051230477519,5.742218197948836,6.432680659940324,7.100596084801686,7.739834302970829,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_5,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432291594521498,0.4754831424092611,1.1707325644673596,2.4125881465723267,3.754789897987621,4.683229962348378,5.178351055230578,5.410969740360136,5.498387865644983,1.946667689642398,0.3825355790157249,0.0208568909722594,6.485274307609334,1.3468768804652724,4.602341859714385,0.1727261313102959,3.330673196281522,7.247404103607407,0.5836845043239535,7.970535604306756,0.4011029715850563,24.222881566286425,3.330673196281522,7.247404103607407,0.5836845043239535,7.970535604306756,0.4003273766035555,24.222881566286425,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1532,3.532366282305392,4.202579522263987,4.897256883611514,5.596656445681977,6.285914656002919,6.954672327694053,7.596344407721384,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_6,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410324369216749,0.5779300989932808,1.6742888868982642,3.4457365667187494,5.186701942321892,6.338957924146733,6.942046452883627,7.223162919301568,7.328470223294348,2.80724329442814,0.4407342243121633,0.0188461974932931,12.57153783613103,3.367897224268982,7.692008694151834,0.3497393173460329,1.8622736808389373,4.05090288454797,0.3263762931611034,4.473284026127765,0.2271238879727621,13.534972117082557,1.8622736808389373,4.05090288454797,0.3263762931611034,4.473284026127765,0.2271238879727621,13.534972117082557,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.1454377372794657,3.6217880774127815,4.131481838288985,4.666168689210095,5.216753652747908,5.7746600600847815,6.332543565039683,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_7,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406842842453439,0.5779209670774265,1.743548977248861,3.696514118940448,5.562191373958408,6.760564452859773,7.377638790073734,7.663111553047117,7.769713388506317,2.9956977141006176,0.4397240693404247,0.0187638998285674,13.792041455474664,3.745787915540297,8.605822462761184,0.5767333059998808,2.864113723559292,6.226530953488878,0.498416012812911,6.8514418260625805,0.3567420976369393,20.56855227910732,2.864113723559292,6.226530953488878,0.498416012812911,6.8514418260625805,0.3567420976369393,20.56855227910732,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,2.956703094110417,3.403292684851267,3.886374690920104,4.398811919714242,4.931996247444522,5.477323536602486,6.027102298850437,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_8,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411967840181674,0.5732681826671933,1.7363662817537924,3.7512341835284375,5.713911987205475,6.985672184870644,7.64290642059543,7.947410227624495,8.061185933686279,3.02195961748376,0.4377224243548994,0.0187925359785693,15.669741855664656,4.206549086812439,9.341342536519026,0.3029533298312307,3.592049809336199,7.818035069375194,0.6338766181119131,8.663062754231502,0.4289635085397204,26.41111422115292,3.592049809336199,7.818035069375194,0.6338766181119131,8.663062754231502,0.4289635085397204,26.41111422115292,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.3708238171341915,3.840152939884964,4.344773177389361,4.875183317463938,5.421578250629066,5.974989554549037,6.527898324238321,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_9,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401402982031905,0.5698425636156669,1.6390921390047355,3.330187361871949,4.924023792608939,5.948949926548646,6.477710057908172,6.722577383581245,6.814057260513157,2.729046372446278,0.436051740525876,0.0184982241231701,13.48980003909574,3.290477729172184,8.140185922102644,0.1520641845280283,1.771828022085475,3.8635197164648862,0.3196751773458852,4.329229440852557,0.1968778583955235,13.518122303784596,1.771828022085475,3.8635197164648862,0.3196751773458852,4.329229440852557,0.1968778583955235,13.518122303784596,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.4324609218523667,3.9303046571016806,4.463139939897638,5.019263674727786,5.587714008241615,6.159113067422242,6.726010972012599,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_10,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410978732718288,0.5735511771881532,1.7643867412236298,3.961543386998289,6.180636134448977,7.6368488101655165,8.392547265037878,8.743191582721138,8.87427950696621,3.15254247382834,0.4380995856246374,0.018777814699263,15.840966395626936,4.39773804620252,9.608952052103554,0.4851866642114603,3.3788270762234647,7.346962218717349,0.5894084385147178,8.094094584341208,0.4178675464685902,24.36445531491293,3.3788270762234647,7.346962218717349,0.5894084385147178,8.094094584341208,0.4178675464685902,24.36445531491293,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.10001174788812,3.5420716858881924,4.021725179588219,4.53092388569199,5.060633726884713,5.602103770926305,6.1476418136615685,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_11,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412907496851376,0.5673623372223727,1.596674063632143,3.299966997059923,5.007688901960406,6.1466913721679495,6.744524653738929,7.023495132403982,7.128042606943266,2.680431851672462,0.4363646124479906,0.0188318575787652,12.85612690836204,3.1324865515647704,7.828330095074348,0.158049005669063,2.1088231549245138,4.58778585924791,0.3701502229443675,5.070024938479454,0.2560078777298398,15.366399831483156,2.1088231549245138,4.58778585924791,0.3701502229443675,5.070024938479454,0.2560078777298398,15.366399831483156,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.26026234339578,3.724542273965863,4.2255523787867695,4.753825982388765,5.29947715195817,5.853386511942957,6.407848532908129,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_12,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405737936720485,0.5767323064953347,1.7343934445345366,3.6691931826774686,5.515236737474939,6.700110083164467,7.310003339675013,7.592106187012212,7.697442246110111,2.9752367059255294,0.4390455106047918,0.0187427801538369,13.647487589385442,3.685350492782571,8.513673704714847,0.553154532593993,2.863438795625406,6.22486193706893,0.498101315069635,6.848249316182486,0.3570722482102151,20.54989807674742,2.863438795625406,6.22486193706893,0.498101315069635,6.848249316182486,0.3570722482102151,20.54989807674742,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,2.949049154611372,3.395137809317877,3.8779901172189737,4.390404995280526,4.923716254040383,5.469271755940477,6.019342646878993,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_13,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408467778110512,0.5772489022238331,1.6722180595084992,3.439638465629157,5.173511004248286,6.319567915867273,6.919003345807506,7.198329600777263,7.302952596165622,2.802966820404563,0.4402203929579452,0.0188041586089286,12.526553541388456,3.3481837866328674,7.669864832873674,0.3470332857380108,1.8415857546404903,4.00595692452732,0.3228047227745513,4.424023536836902,0.2244871019472826,13.38840182101614,1.8415857546404903,4.00595692452732,0.3228047227745513,4.424023536836902,0.2244871019472826,13.38840182101614,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.1433575671597502,3.619256044385263,4.128831180855543,4.66364026310234,5.214506274292293,5.77278812987182,6.331095129970894,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_14,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412164510469719,0.5730811778074902,1.732100896564879,3.731872071787148,5.676164853434517,6.93541694444748,7.586125547663249,7.887600345995079,8.000243853918459,3.008768856190328,0.4376696628527875,0.018796910206456,15.543259781666142,4.166419796916791,9.262072986219582,0.2961383895336064,3.5650175249419447,7.75826197732534,0.6281894066459554,8.590532778109589,0.4276608332650465,26.14817084050716,3.5650175249419447,7.75826197732534,0.6281894066459554,8.590532778109589,0.4276608332650465,26.14817084050716,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.372867317017504,3.842085475719361,4.346598981778529,4.8769024079662575,5.423189573825011,5.976491239093607,6.529287330217076,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_15,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401065932372145,0.5697031354569504,1.6359288991100878,3.3154037165997443,4.8952588640153705,5.9109296553885,6.43496987544609,6.677674421119659,6.768350636934564,2.719013661317508,0.4359842951983736,0.0184878263572999,13.418040047302934,3.261318783564013,8.102656187302562,0.148725494924466,1.8100743036196063,3.946909340741535,0.3265683354030279,4.422620986843829,0.2011429044272482,13.809411960113923,1.8100743036196063,3.946909340741535,0.3265683354030279,4.422620986843829,0.2011429044272482,13.809411960113923,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.439858130756475,3.93737560838493,4.469756814493708,5.025358002950039,5.593260416039498,6.164113668775898,6.7304833029343545,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_16,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413441671235472,0.5676004907618586,1.595064401334089,3.2860378702679105,4.97736355745952,6.104891283596152,6.69666358720538,6.972805075648464,7.076292657097918,2.671783445316371,0.4365254313112009,0.0188484726616684,12.779579845582846,3.109663993514754,7.786501123965368,0.1557951357689753,2.096867107989917,4.56181751295945,0.3680929694274079,5.04161086340918,0.2544696471175026,15.282172319968966,2.096867107989917,4.56181751295945,0.3680929694274079,5.04161086340918,0.2544696471175026,15.282172319968966,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.2494988128690068,3.715143826535181,4.217356120411127,4.746672318431683,5.293215949592481,5.847880084048337,6.402972693673458,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_17,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140856885314659,0.5726084838745508,1.761055496479541,3.957324654059924,6.17828922664043,7.636666442162983,8.393720699226215,8.74504322787211,8.876392398285086,3.14823063531094,0.4374413000666476,0.0187176173385305,15.808341029077145,4.374105591701581,9.599523134463126,0.4845844622325045,3.3244584574516254,7.22858519824265,0.5797705396859528,7.962622774939249,0.4114665108107956,23.96164549075857,3.3244584574516254,7.22858519824265,0.5797705396859528,7.962622774939249,0.4114665108107956,23.96164549075857,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.08703487818078,3.5294992529150258,4.009441171440413,4.518873306352328,5.04880881166822,5.590529227493881,6.136362183529513,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_18,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434565482584913,0.4750564928642904,1.1993469828644656,2.6090585208019688,4.199891951094698,5.315483741788252,5.912816426286363,6.193822235866684,6.299471940683823,2.0691021411880426,0.3822863162373415,0.0209238516276439,7.513034120273476,1.610383345061952,5.261411242435923,0.2122052834444703,2.961271275580929,6.455414030684377,0.5325947090469331,7.222028947956392,0.3325740360360958,22.475273255380667,2.961271275580929,6.455414030684377,0.5325947090469331,7.222028947956392,0.3325740360360958,22.475273255380667,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.656651440194418,4.337098381223471,5.0384870526156185,5.741548786059717,6.431948890505932,7.099834235539914,7.739066651351731,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_19,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432756335891812,0.4761722548215279,1.1757439190002026,2.4272112437777573,3.780869417553941,4.717571906021627,5.217163077003018,5.451892561332147,5.5401053834662335,1.9575365991100595,0.382898392897631,0.0208689622891153,6.544821971178937,1.367797231410337,4.645317182923392,0.1797078939359312,3.3521025421415285,7.293854675973368,0.5872940273247748,8.021014029513735,0.4040536506048622,24.368294416595063,3.3521025421415285,7.293854675973368,0.5872940273247748,8.021014029513735,0.4032825838346577,24.368294416595063,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1532,3.525375238181968,4.194877572312178,4.888899760903392,5.587750183165281,6.276587923185005,6.945056990792122,7.586563599898091,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_20,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1435343150037316,0.4758040839101322,1.205712720531543,2.627264710811323,4.2324127146038775,5.35893782501071,5.962400583318436,6.246350904305783,6.353117231118635,2.0827548991921305,0.3826700372092366,0.020945521841296,7.609620008672966,1.6319197047077143,5.335766004463915,0.2230672215743783,2.9946365623135462,6.528491406897075,0.5389307643232403,7.30608267689947,0.3356173104548328,22.751970691059093,2.9946365623135462,6.528491406897075,0.5389307643232403,7.30608267689947,0.3356173104548328,22.751970691059093,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.6569084433043177,4.337604549948659,5.039162699847537,5.742334856558822,6.43280083696055,7.1007182314851365,7.739957059780628,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_21,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432335713311544,0.4755002607867586,1.1707827997990792,2.4126852629792888,3.7549285375104615,4.683394203343169,5.178528194675727,5.411152784603367,5.498573104950629,1.9467485368673847,0.3825482263055346,0.0208580549081107,6.4858000979207215,1.3469962479741873,4.602694792344587,0.1727349403775631,3.330731979926086,7.247533059974039,0.5836930958002478,7.970628274789503,0.4011076273041227,24.22321062210126,3.330731979926086,7.247533059974039,0.5836930958002478,7.970628274789503,0.4003311197162079,24.22321062210126,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1532,3.532358042612468,4.20256314344778,4.897232977107332,5.596625982697997,6.285878758466523,6.954632125233119,7.596300952011655,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_22,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410131176546977,0.5779346564836331,1.674355991729659,3.4458607959632817,5.1868669498906375,6.339146111949204,6.9422459000066175,7.223367435451471,7.328676610577023,2.8073497763973343,0.4407283373511779,0.0188400666435918,12.57230961170526,3.36817285361877,7.692370337952555,0.3497495254542702,1.862107655793384,4.050539988840649,0.3263454846465003,4.472871532965386,0.2271072335811073,13.5336456462881,1.862107655793384,4.050539988840649,0.3263454846465003,4.472871532965386,0.2271072335811073,13.5336456462881,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.145407656093175,3.621741895218972,4.131422625561823,4.666099429264427,5.2166770551130215,5.774578481022417,6.332458993128181,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_23,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407278207076247,0.5780045598180136,1.7436503616335426,3.696621481219287,5.562307462133382,6.76068755457076,7.377765759453303,7.663240352179057,7.769842876241234,2.995802752383623,0.4398000612710938,0.0187751678428992,13.792733979193306,3.7459289179950632,8.606324681938935,0.5768143631415941,2.8640763806221075,6.226449590513669,0.4984093382532975,6.851351086648488,0.3567378161729078,20.56827177462029,2.8640763806221075,6.226449590513669,0.4984093382532975,6.851351086648488,0.3567378161729078,20.56827177462029,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,2.95685433315947,3.40344966514475,3.886537061963462,4.398978785199203,4.932166325483108,5.477495326484117,6.027274221304358,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_24,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411528115013822,0.573200347626469,1.7363174350304629,3.751222176417078,5.713925982462139,6.985700603632012,7.642941953246577,7.947449012354655,8.061225928525374,3.0219358101783738,0.4376564181102955,0.0187808241490796,15.67006643379358,4.206549142770699,9.34160369209472,0.3029440333126852,3.5919658828802,7.817851861288909,0.6338612764089591,8.662856094151874,0.4289546021524843,26.41045993422613,3.5919658828802,7.817851861288909,0.6338612764089591,8.662856094151874,0.4289546021524843,26.41045993422613,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.3707316207446625,3.840053709776112,4.344668253165255,4.8750742145093255,5.421466503261468,5.974876616520407,6.52778551297847,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_25,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401360697669623,0.5698344016889446,1.6390780642830154,3.330155217965056,4.923987406664557,5.948917835170004,6.477682035829344,6.722551633712004,6.814032419587206,2.729019502435284,0.4360435712899916,0.0184974218692265,13.489860505449938,3.2903600925307708,8.140337021588994,0.1520450096320673,1.7716790894600167,3.863195742666085,0.3196490673314279,4.3288716281114406,0.1968597124394093,13.517039265899877,1.7716790894600167,3.863195742666085,0.3196490673314279,4.3288716281114406,0.1968597124394093,13.517039265899877,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.4324398701085443,3.9302873859745726,4.463126615127272,5.019254174317835,5.587708020011508,6.159110172550971,6.726010706999909,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_26,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410471587593704,0.573478381302982,1.7643176752327876,3.9614797593941984,6.180586558810914,7.636813156144438,8.392520055385152,8.743168542213132,8.874258063601967,3.152476106238826,0.4380279244182248,0.0187640594002935,15.84097982979651,4.397507079827782,9.609125392921529,0.4851179848972439,3.378768425623418,7.346832842965192,0.5893964032821473,8.093939651880596,0.4178640816629653,24.36390610163322,3.378768425623418,7.346832842965192,0.5893964032821473,8.093939651880596,0.4178640816629653,24.36390610163322,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.0999931294546856,3.542044126923148,4.021689669181557,4.53088162164031,5.060585987969045,5.602051825534511,6.147586859400919,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_27,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413438336077672,0.5674543549601492,1.596817181284385,3.300128386542456,5.007830371326191,6.146808954853329,6.744627415914782,7.02359053437205,7.12813518360676,2.6805929225948706,0.4364474424449133,0.0188465788983775,12.856945076605118,3.132802397372118,7.828740138432918,0.1580735568137871,2.108836865642401,4.58781630773922,0.3701532362597152,5.070062755720124,0.2560082680193746,15.366542209968056,2.108836865642401,4.58781630773922,0.3701532362597152,5.070062755720124,0.2560082680193746,15.366542209968056,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.2602513367688246,3.724524433269435,4.225528795713047,4.753797782373689,5.299445393894362,5.85335213881665,6.407812353323828,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_28,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405500832993766,0.5766963157800377,1.734352949739198,3.6691548283852287,5.515207654393185,6.700090171015223,7.309989043663674,7.592094685477895,7.697431819302344,2.9751966206372145,0.4390112164728289,0.0187362627525101,13.647603319269356,3.68530330131194,8.51371322025104,0.5530358826795598,2.8634124757640524,6.22480019771865,0.4980923150041077,6.848150995796914,0.3570782516157593,20.54939967146728,2.8634124757640524,6.22480019771865,0.4980923150041077,6.848150995796914,0.3570782516157593,20.54939967146728,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,2.9490625887832453,3.3951496160572634,3.87800077544375,4.39041483339641,4.923725468014133,5.469280443521104,6.019350840279017,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_29,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408678511210124,0.5772766201624395,1.6722402818903468,3.439656950912158,5.17352810946499,6.319584544301473,6.919019836323263,7.1983460530097245,7.302969038339192,2.802986177848657,0.4402482830718201,0.0188100257323257,12.526758750771966,3.348202956299589,7.670039093754877,0.3470355352570277,1.841563753365696,4.005910271311521,0.3228020450482939,4.423980113752047,0.2244819445477734,13.388324386552098,1.841563753365696,4.005910271311521,0.3228020450482939,4.423980113752047,0.2244819445477734,13.388324386552098,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.1433347263063265,3.619231620713386,4.128806043301429,4.663615138545657,5.214481744210855,5.772764648905341,6.331073051115723,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_30,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412170289347601,0.5730867288181586,1.7321002154002174,3.73185739620863,5.676146540784566,6.935400434815475,7.586110971138927,7.887586867150762,8.000230816071278,3.0087580267630574,0.4376742218600784,0.0187968170162702,15.543504782026051,4.166352613856319,9.262326742579182,0.2961164979892583,3.5648790249040654,7.757960193980405,0.6281646332198079,8.590196090662527,0.4276449924413953,26.147129200866218,3.5648790249040654,7.757960193980405,0.6281646332198079,8.590196090662527,0.4276449924413953,26.147129200866218,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.372804216992804,3.842017329582979,4.34652705026677,4.876827910325894,5.423113626371255,5.976414827787299,6.52921130307922,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_31,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401536475273744,0.5698007885204855,1.636113102385439,3.315659227823306,4.895535313755445,5.911204114142559,6.435239698056235,6.6779413719712855,6.768616404336975,2.719251018453768,0.4360683262793212,0.018500254134898,13.419162295226538,3.261851450790653,8.103126048037712,0.1487744766431604,1.810145743019867,3.9470620348805183,0.3265782117142475,4.422771436733848,0.201157169479815,13.809746104897991,1.810145743019867,3.9470620348805183,0.3265782117142475,4.422771436733848,0.201157169479815,13.809746104897991,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.439870874823283,3.9373954437173793,4.469783636899967,5.025391160038934,5.5932989227720205,6.164156377631223,6.730529023534937,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_32,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413697987477172,0.5676416952015799,1.5951323465654652,3.286133559341111,4.977469133708175,6.104998556807397,6.696770869886262,6.972912214434215,7.076399721320953,2.6718718131797083,0.4365634885394687,0.018855486596959,12.780154052886594,3.1098461471769614,7.786808171589406,0.1558052677926883,2.096842716408654,4.561763876397912,0.3680881286384272,5.041547745516072,0.2544678608995431,15.28195542264664,2.096842716408654,4.561763876397912,0.3680881286384272,5.041547745516072,0.2544678608995431,15.28195542264664,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.2495989008677326,3.715235792311931,4.217441357155748,4.746751948107239,5.293290815756032,5.847950795149639,6.403039677285316,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_33,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408582314869838,0.5726141759633356,1.761087137379332,3.9574157334988014,6.178433427715666,7.636840982055569,8.393909757454864,8.745238765895962,8.876590319081616,3.148300233912204,0.4374453483908208,0.0187179039320506,15.809094853091288,4.374311194199632,9.599976684317534,0.4845982955339479,3.324474144924006,7.228619075943291,0.5797730481002146,7.962658529725723,0.4114689300023121,23.961742642394995,3.324474144924006,7.228619075943291,0.5797730481002146,7.962658529725723,0.4114689300023121,23.961742642394995,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.0870581984743426,3.529500984127448,4.009423581994256,4.518839038207358,5.048760606134436,5.590469743652768,6.1362938867531085,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_34,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434584979524247,0.4750508625996792,1.1993193246275486,2.609003809406106,4.19981155253304,5.315386578324813,5.912710619770137,6.193712437542973,6.299360653438812,2.069056920082003,0.3822839498083322,0.0209245038449541,7.512857936589378,1.6103171628005546,5.261326343857737,0.21219443495121,2.961194907464773,6.4552484318023176,0.5325818339616616,7.221849579158066,0.3325636533382495,22.474753839992445,2.961194907464773,6.4552484318023176,0.5325818339616616,7.221849579158066,0.3325636533382495,22.474753839992445,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.656494789443022,4.3369382731215405,5.038325836580858,5.741388496087945,6.431791176218715,7.099680363388205,7.7389175419543506,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_35,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432792994836067,0.4761669536704226,1.175704108105562,2.4271239269026315,3.7807369384468257,4.717409080138039,5.216984175864015,5.451706122730148,5.539916114226606,1.9574659147255484,0.3828973411695703,0.0208701191980971,6.5443367091894205,1.367681321608908,4.644979121072042,0.1796856653389364,3.3519920432464,7.29361491999742,0.5872776460820831,8.020802522452525,0.4040391712194098,24.367681626792724,3.3519920432464,7.29361491999742,0.5872776460820831,8.020802522452525,0.4032688912576099,24.367681626792724,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1532,3.525314261631871,4.1948084876418426,4.888824106954044,5.587669540528769,6.27650378804945,6.944970701554936,7.586476303967238,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_36,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1435284604899808,0.4757912122235183,1.2057049881127395,2.6272842534668155,4.23245388166781,5.358988764351757,5.962455362263009,6.246407203943179,6.353174058735727,2.082764597572057,0.3826587743888255,0.0209438899582812,7.609779039338704,1.6319979621875582,5.335855693913111,0.2230796498499521,2.994547648420145,6.528299485725707,0.5389166368249617,7.305880743019838,0.3356034103934513,22.751426335646595,2.994547648420145,6.528299485725707,0.5389166368249617,7.305880743019838,0.3356034103934513,22.751426335646595,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.656803163384162,4.337499770095163,5.039059912360537,5.742235146568921,6.432704933200089,7.100626576258696,7.739869877676999,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_37,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1432543757313267,0.4755429111704717,1.170853931748819,2.412759351171732,3.754979511808046,4.683423791391767,5.178545682335115,5.411164507709589,5.498582653806769,1.9468259129989087,0.3825850752350661,0.0208639402330556,6.485992248281542,1.3470787336008117,4.602794070634099,0.1727410832517114,3.330776650994167,7.247625502976676,0.5836995113546409,7.970764578414832,0.4011231069817962,24.22341140292137,3.330776650994167,7.247625502976676,0.5836995113546409,7.970764578414832,0.4003476550827937,24.22341140292137,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM1532,3.532386183634909,4.202592786331273,4.897263996319648,5.596658127019477,6.285911716473921,6.954665573427952,7.596334585486606,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_38,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410596205277838,0.5779625272789193,1.6742963924788792,3.44573249276322,5.186699364417727,6.338958026662768,6.94204806325288,7.223165228913549,7.328472792744088,2.80724080348488,0.4407691379928612,0.0188536511349069,12.571524725568862,3.367882933992657,7.691970833412415,0.3497253633960441,1.8622498999482355,4.050850438915583,0.3263714249862185,4.473221299837984,0.2271224585035764,13.534750249294117,1.8622498999482355,4.050850438915583,0.3263714249862185,4.473221299837984,0.2271224585035764,13.534750249294117,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.14541248646003,3.621756767752263,4.131445188074083,4.666127519542835,5.216708826606868,5.774612428531236,6.332493927629827,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_39,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406846066860024,0.5779126689315057,1.7435205223279973,3.696471172354825,5.5621397891908,6.760507930291831,7.377579781834523,7.6630514004525985,7.769652809106338,2.995658819564792,0.439719204249766,0.0187640713722382,13.791833668783498,3.7456740559680406,8.605750036652621,0.5767198625245198,2.863984855549128,6.2262531239339385,0.4983958624289945,6.851151754981083,0.3567212681181841,20.56778609228397,2.863984855549128,6.2262531239339385,0.4983958624289945,6.851151754981083,0.3567212681181841,20.56778609228397,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,2.956673897720429,3.4032582229428714,3.8863358440088014,4.398769637323042,4.931951493042896,5.477277245701701,6.027055350307712,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_40,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411948003938464,0.5732485537951718,1.7363426605621974,3.751243894992027,5.71395787688995,6.985741178582738,7.642987235494485,7.947496496267502,8.061274236696711,3.0219560791929005,0.4377077318110395,0.0187925987225351,15.670073687041963,4.206593234819963,9.341582406573556,0.3029526152757273,3.592159111290294,7.818273629210705,0.6338965574282137,8.663331570716002,0.428975193932995,26.411963463523488,3.592159111290294,7.818273629210705,0.6338965574282137,8.663331570716002,0.428975193932995,26.411963463523488,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.370877880256506,3.8402140759344032,4.344840830475896,4.875256591985646,5.4216560470075255,5.975070688924095,6.527981618463526,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_41,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400902567323662,0.5697606046031135,1.6390066571133708,3.3301165172877574,4.923979209756362,5.94892652040029,6.477698513169244,6.7225715092856975,6.814053530875876,2.7289684965155905,0.435973823063068,0.0184851010043604,13.48969559166202,3.290388444581036,8.140191554847656,0.1520515887304272,1.7717570999686585,3.8633644220532415,0.319661749106143,4.329051092817803,0.1968713058617422,13.51753693758672,1.7717570999686585,3.8633644220532415,0.319661749106143,4.329051092817803,0.1968713058617422,13.51753693758672,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.4324328237415385,3.930272982225509,4.46310533739786,5.019226865933161,5.587675710904429,6.159073953334402,6.725971645900106,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_42,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410453352304289,0.5734752186961625,1.7643124404748698,3.961458588529533,6.180541411969263,7.63674908998253,8.392445353466613,8.74308873505291,8.874176321516131,3.152461883479341,0.4380244967516495,0.0187638302472489,15.840716944624418,4.397452705309265,9.6089605455839,0.4851338755173877,3.37872310005381,7.3467325986257235,0.5893868462966086,8.093817870426678,0.4178619418034885,24.36346374049356,3.37872310005381,7.3467325986257235,0.5893868462966086,8.093817870426678,0.4178619418034885,24.36346374049356,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.1001124371854183,3.542156904200368,4.021796884923371,4.530984015735427,5.060684073202613,5.602145929893812,6.1476771764805775,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_43,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413129294056415,0.5673983567966049,1.5967461004317551,3.30004212126114,5.007737425705312,6.146716173082615,6.744535987825301,7.02350000793622,7.128045037214729,2.680511313227228,0.4363958483737209,0.0188384992292029,12.856553141181315,3.132651757376268,7.828535096847093,0.1580611616267936,2.108802447139141,4.587741385030634,0.3701471513756,5.06997965814394,0.2560041812094191,15.366288360596291,2.108802447139141,4.587741385030634,0.3701471513756,5.06997965814394,0.2560041812094191,15.366288360596291,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.26041307432828,3.72468634248609,4.225690741675828,4.753959296094108,5.29960576827599,5.853510537577745,6.407967902049166,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_44,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140577316006806,0.5767334589413345,1.73439484257399,3.669202975610112,5.5152526709128304,6.700128217859528,7.31002209026741,7.592125110026758,7.697461215844724,2.975243478107107,0.4390476734363785,0.0187438163518146,13.64757794374568,3.6853607118887393,8.51375807355181,0.5531621099984512,2.863479859887582,6.224952304682162,0.4981095314116193,6.848356111180537,0.3570751153805149,20.550267899375434,2.863479859887582,6.224952304682162,0.4981095314116193,6.848356111180537,0.3570751153805149,20.550267899375434,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,2.9489729841107417,3.3950580181265413,3.877908221410818,4.3903222698505,4.923633756672685,5.469190358924297,6.019263068019175,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_45,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140846287786051,0.5772574168058288,1.6722512509042264,3.4396809245142648,5.17354586872859,6.319593580326937,6.919023370326899,7.198346843263049,7.302968773913808,2.8030088264562547,0.4402250550834488,0.0188039375298461,12.526737639509872,3.3483081800386696,7.669913874077514,0.3470405817498946,1.8416156974991635,4.00602268278189,0.32281058173331,4.424100351365643,0.224489470134639,13.388662233835884,1.8416156974991635,4.00602268278189,0.32281058173331,4.424100351365643,0.224489470134639,13.388662233835884,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.1432532672217586,3.619145072580636,4.128715669930204,4.6635221475259545,5.214387257309258,5.7726696801288,6.330978494836418,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_46,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411704521006765,0.5730130202836479,1.7320217310289487,3.7317882618663374,5.676087742326436,6.9353489088459295,7.5860634593159135,7.887541280885102,8.000185960330441,3.008685205768411,0.4376043875025296,0.0187841409479867,15.542876518362409,4.166276551170785,9.26188580096399,0.2961120794371975,3.56493319962271,7.758074717247301,0.6281708815365996,8.590300251915505,0.4276584165882687,26.14729570944842,3.56493319962271,7.758074717247301,0.6281708815365996,8.590300251915505,0.4276584165882687,26.14729570944842,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.372779185405557,3.841996342423698,4.346509779335912,4.876813973014669,5.423102583719039,5.9764061940476125,6.529204561329122,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_47,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401961553352679,0.5698417773874721,1.636085590795736,3.315563683010099,4.895409091590173,5.91106925611099,6.435102972333047,6.677804301733569,6.768479284884719,2.7191744440192114,0.4361163896317411,0.0185120890469372,13.418486323767672,3.2615783531022355,8.102792185091136,0.1487531727257844,1.810170299191893,3.947118891962436,0.3265858801433532,4.42285734033872,0.2011530983029859,13.81016011407526,1.810170299191893,3.947118891962436,0.3265858801433532,4.42285734033872,0.2011530983029859,13.81016011407526,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.439847345432669,3.9373731559659713,4.469762565563284,5.0253713313642825,5.593280377959684,6.164139157038934,6.730513161389109,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_48,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413737763598068,0.5676300785480765,1.5950571930335302,3.2859961672047984,4.977301846592549,6.104820671662326,6.696589370780517,6.972729397706837,7.076216465560816,2.671751895662541,0.4365594507108117,0.0188566661062003,12.779129610774802,3.109565912134048,7.78622511118294,0.1557931460315101,2.0969088207142392,4.561907770057144,0.3680998121861651,5.04170731820356,0.2544757165590305,15.282442749460358,2.0969088207142392,4.561907770057144,0.3680998121861651,5.04170731820356,0.2544757165590305,15.282442749460358,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.249620683142921,3.715262425121445,4.217471819854104,4.746785245776554,5.293325992550386,5.847986948855703,6.403075970245252,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_49,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408539764613139,0.5725825552581447,1.7609658165735682,3.9571915799492543,6.178144355628268,7.6365214911491295,8.393577295798487,8.744900850282583,8.876250450612341,3.14810780232193,0.4374247983664444,0.018716911392808,15.807678268212026,4.373817791148009,9.599169968354929,0.4845186649676906,3.3243416007455218,7.2283309182464945,0.5797499737557512,7.962341390791532,0.4114524394782279,23.96079015917498,3.3243416007455218,7.2283309182464945,0.5797499737557512,7.962341390791532,0.4114524394782279,23.96079015917498,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1532,3.087043042209259,3.529490026293037,4.009416225052384,4.518834772490293,5.04875899701786,5.590470426401965,6.1362965627980905,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_50,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2435936110703549,0.9741259801472124,2.085831792376072,3.593448777306827,5.193014736439042,6.319455191385706,6.926321516065577,7.21273204507226,7.320563541220993,3.041599529930275,0.7756397694482581,0.0261914471324791,8.776147784206238,4.646218754355921,4.9645095728215525,1.580586458271921,2.869428487938327,6.2053734320058505,0.4673571219845817,6.60828546381498,0.4245700029221585,23.694284879383265,-1.80414273190749,-4.079063062968301,-0.4673571219845817,-5.542999707784143,0.0974200175329516,-23.694284879383265,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.29516860260038,9.919296126704197,10.560528328736613,11.208511812162834,11.853611212715084,12.487609625626789,13.103985505518075,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_51,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2427741121687378,0.9724778674876158,2.0657663274805538,3.4176250616497748,4.746252122321697,5.6570331172712,6.143707189073111,6.372767822371145,6.458924243070517,2.939582131313918,0.7741382926106982,0.0260524551379181,7.540876461121208,4.272917123143841,4.292561466445704,1.5539800787775384,2.557022733741921,5.501932519339346,0.3892556834354803,5.671068201225763,0.4355042043190327,20.57022733741921,-1.3355341006128818,-3.0638412076137835,-0.3892556834354803,-4.449579568096724,0.1630252259141968,-20.57022733741921,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.31727967839168,9.934348117885676,10.571366457979474,11.217120426518925,11.8612947902083,12.4951697029083,13.111871182039522,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_52,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2435975963683133,0.9739560863911766,2.085808705583526,3.59582340842454,5.200926914419147,6.332752849338276,6.942932176435098,7.230995070331223,7.339462622196558,3.0427615943192547,0.7755286970264285,0.0261961487500707,8.831720256068312,4.651161602791679,5.001561667238788,1.580429716652692,2.8871861227184565,6.245358120663919,0.4717965306796139,6.661558368155367,0.423948485704854,23.87186122718456,-1.830779184077684,-4.136769871136938,-0.4717965306796139,-5.605151429514595,0.0936909142291246,-23.87186122718456,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.29939750930806,9.925796955060669,10.568664201699733,11.21779183136318,11.863653545599725,12.498118161912908,13.11473281413031,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_53,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2427908325564014,0.9724282242586784,2.064866847776222,3.4129977657103048,4.734809877875689,5.639505677149988,6.122554483092911,6.349829930660719,6.435302608331699,2.9366682232461523,0.774125596362478,0.026056136883132,7.50860308646483,4.268185694221132,4.266894095545428,1.552612567320485,2.565544776555617,5.52112151792252,0.3913861941389045,5.696634329666853,0.4352059328205534,20.65544776555617,-1.348317164833427,-3.0915352049250258,-0.3913861941389045,-4.479406717944661,0.1612355969233205,-20.65544776555617,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.32710374344948,9.94263688466978,10.57816811227998,11.22253300655098,11.865447409849262,12.498206200829854,13.11393782491681,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_54,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3204262502576336,1.243567117940365,2.8191067603340194,4.7918154849000345,6.516063625805576,7.606818020287777,8.168205437059607,8.42817849389396,8.525318595157033,4.119031658810782,0.98573530768968,0.0389191365757341,14.79316696037536,9.256686898621831,7.621494249662462,2.4172741061036938,3.0256429929352207,6.609578769195794,0.55770205649135,7.4872594448660195,0.3113907479064231,26.282256094503097,-2.551377571978278,-5.662944988965736,-0.55770205649135,-7.012994023909077,-0.0790006916375213,-26.282256094503097,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.453178045950478,10.310740200033829,11.139837970839672,11.93258306832156,12.68382418489682,13.390739794225158,14.052361289383231,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_55,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3098529874854976,1.244344033968522,2.950755566926986,5.022802150180502,6.736154850837364,7.782804752089446,8.312480250882997,8.555935960815331,8.646623525737684,4.330384098715739,0.9743531224547533,0.0380682745898086,16.041345453569022,10.205875847392235,7.853455246847388,2.5889681379585032,2.9465693680793086,6.479042535307135,0.5843893744581667,7.621684363744642,0.2166013039967108,26.42063432955988,-2.897324376502359,-6.380749532119544,-0.5843893744581667,-7.572439372167692,-0.1924712581240054,-26.42063432955988,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,10.67345624025542,11.3369069976809,11.998313471272542,12.649625927546536,13.283302802477552,13.893307526787025,14.475378330839808,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_56,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3199297070090752,1.2392779186641634,2.804046451873824,4.786556952981108,6.53117376197328,7.631908012969744,8.196531974499138,8.457495658236018,8.55491972576176,4.1073565768959055,0.9829565950775576,0.0388851748937424,15.000688387797382,9.117926781164856,7.794805892167971,2.308308258780226,3.0565732004281543,6.679142552295593,0.5653549652323107,7.579412922286639,0.3104754412219428,26.589965306786983,-2.596976451894953,-5.761787442223324,-0.5653549652323107,-7.1198161737534384,-0.0852730344406742,-26.589965306786983,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.843617983735998,10.611240324961049,11.369641050256384,12.107237726030489,12.815622345586428,13.48928637753069,14.12511822879255,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_57,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3202291545695603,1.2433628612654926,2.817643230165045,4.781879526797837,6.492571800650378,7.5727238800857775,8.128219609504256,8.385382486530448,8.481460499908113,4.112945408332916,0.9855215636247106,0.0388584645497298,14.693633728194545,9.225406031458586,7.564788663474497,2.413143977975617,3.030754198449769,6.620944742957576,0.5588401607922056,7.501475484787415,0.3115052195767551,26.33057420809296,-2.557647409472286,-5.67662359215852,-0.5588401607922056,-7.028368695809932,-0.0796828929777883,-26.33057420809296,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.45719643082158,10.313854888848214,11.142058552261307,11.933974217649766,12.684481713117156,13.390771204023476,14.05187308894218,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_58,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.309858641437425,1.2444276135771728,2.9490377147398994,5.011649749602162,6.71191136584718,7.749229585813727,8.273977640124787,8.515140192010698,8.604970161503987,4.323312599504638,0.9744312898261492,0.0380632472003783,15.937271609341412,10.171756742681222,7.7987318287590846,2.585849157297481,2.947377738863961,6.480835650519209,0.5845649846950824,7.623897616424621,0.2166286241836675,26.428188388221457,-2.8982721080868643,-6.382820811488124,-0.5845649846950824,-7.574791985647524,-0.1925668651028898,-26.428188388221457,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,10.69264085848727,11.355159767428082,12.015526904271892,12.665747906035424,13.298327903951703,13.907263634099952,14.488314435096756,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_59,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3198077462986266,1.2390617496031862,2.8025931841344978,4.781557913430401,6.521941407582948,7.619648357202315,8.18264048786417,8.442834814506064,8.539969411836458,4.10375581976207,0.9827882187586842,0.0388436658231116,14.952382573062067,9.09914573451328,7.770877326179476,2.306015103676295,3.057275573442627,6.680630323872428,0.5654388901413272,7.580786694573245,0.3106433616901002,26.59515567003968,-2.597113327970644,-5.7621464819103485,-0.5654388901413272,-7.1206244491012605,-0.0851638614088283,-26.59515567003968,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.80637619517136,10.57487423553208,11.334256041574974,12.072946337776836,12.78252154741964,13.457447475353517,14.094584734086135,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_60,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2435523841499184,0.9740968822436548,2.085850249795206,3.593529435267704,5.193154072512951,6.3196322961287335,6.926518034098609,7.212937529446923,7.320772371011995,3.0416582072821208,0.7756034322306025,0.0261767653556433,8.776692066164577,4.646359721361931,4.964808434099453,1.5805433564739482,2.869353063603913,6.205203599786297,0.4673382659009783,6.6080591908117405,0.424572642773863,23.69353063603913,-1.8040295954058696,-4.078817957263001,-0.4673382659009783,-5.542735722613696,0.0974358566431785,-23.69353063603913,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.295111729688411,9.91924336281779,10.56048327675929,11.208476402751907,11.853586142296754,12.487594752011487,13.1039801656028,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_61,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2428371665549741,0.9725695418213216,2.0658352351150886,3.4176726328923843,4.746297141533288,5.657082738680401,6.143760693504335,6.372823432929042,6.458980687763362,2.93963464817838,0.774229543660295,0.0260685273215381,7.5409652222684995,4.273108722664636,4.2926298789243305,1.5541156367509978,2.5570746736574246,5.502049471927686,0.389268668414356,5.671224020972272,0.4355023864219901,20.570746736574247,-1.3356120104861362,-3.064009996237795,-0.389268668414356,-4.449761357800985,0.1630143185319411,-20.570746736574247,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.317277001570032,9.934344768049105,10.57136418594614,11.21712043940759,11.861297801591986,12.495176030291503,13.111880852778745,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_62,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2435833284002742,0.973919516485948,2.085773095710888,3.595811279270372,5.2009399104169205,6.33278214322483,6.9429698646571145,7.231036640660561,7.339505641912105,3.0427403520434195,0.7754957336801079,0.0261949657536522,8.831869242399856,4.651092110241493,5.001716217700905,1.580398675118305,2.8871641398252645,6.245308622003152,0.4717910349563162,6.661492419475795,0.4239492551061156,23.87164139825265,-1.8307462097378973,-4.136698433548765,-0.4717910349563162,-5.605074489388429,0.0936955306366946,-23.87164139825265,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.29935282451181,9.925752583409135,10.56862256744202,11.217754343447782,11.86362087215203,12.498090466515876,13.114709940107373,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_63,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.242821662801304,0.972501509952336,2.0649547796011247,3.413099343274542,4.734930824379801,5.639641174774605,6.122697914522622,6.349977115533405,6.435451207134829,2.9367640246518247,0.7741919624499941,0.0260599606647933,7.508963194449882,4.268462483847515,4.267064093088254,1.5526989033266354,2.56552996502334,5.521088166943404,0.3913824912558349,5.696589895070018,0.4352064512241831,20.655299650233395,-1.348294947535009,-3.091487072036696,-0.3913824912558349,-4.479354877581688,0.161238707345099,-20.655299650233395,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.327108694233424,9.942641621946324,10.578173482588085,11.222539592877984,11.86545553965295,12.49821599519899,13.113949256904274,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_64,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3204562555478836,1.2436422314616296,2.819239681967077,4.791984533038384,6.516240003868755,7.606992298546153,8.168377240655373,8.428348887482857,8.525488422620064,4.11919259684568,0.9857994219395788,0.0389249177771117,14.793905982143876,9.257395643061672,7.621786720548322,2.417524273495315,3.0255593591232457,6.609396797545697,0.5576873525907331,7.48705817984911,0.3113806455298508,26.28154384743089,-2.551314166784085,-5.662803393636731,-0.5576873525907331,-7.012812987509949,-0.0790005012836619,-26.28154384743089,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.453110896669724,10.310661739681152,11.139753232615597,11.932495700942075,12.68373673138282,13.390653955031684,14.052278144098407,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_65,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.30982369054093,1.2443538030926036,2.9508248458263964,5.022889005281341,6.736232548694364,7.782872136708013,8.312541717940782,8.555994605544779,8.646681106004635,4.33046983137024,0.9743494033481324,0.0380564588306148,16.041903379172208,10.206195354973394,7.853833482486666,2.589086983544352,2.9464028950661807,6.478674613045068,0.5843545254927548,7.621239099008219,0.2165929150476432,26.419104985186,-2.897142359861367,-6.380350584776259,-0.5843545254927548,-7.571978563803405,-0.1924552527972847,-26.419104985186,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,10.6733855293781,11.336828538170812,11.998228293951575,12.649535469257644,13.283208599001972,13.893211033360677,14.47528083173067,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_66,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3199415782952551,1.2393231161284497,2.804121854778855,4.786648828391819,6.5312665706117965,7.631997243953509,8.196618479603428,8.457580733056666,8.555004241180718,4.107445023433451,0.9829941321236508,0.0388863755752994,15.001229991899471,9.118292997995528,7.795079812113132,2.3084258511941496,3.0564451980048504,6.67886774143894,0.5653360771063173,7.579133814855388,0.3104523850991106,26.5889475321506,-2.596915573058321,-5.761646610045666,-0.5653360771063173,-7.11960418990886,-0.085282868875311,-26.5889475321506,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.84358080086959,10.611189004876888,11.369577874905785,12.107165220455975,12.815542937881322,13.489202230775309,14.12503117799009,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_67,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3202268222449138,1.2433622905461903,2.8176571662795107,4.781909287965521,6.492608195150399,7.572761766237665,8.128257668034534,8.385420512397173,8.481498496985111,4.112970770753672,0.9855196242725462,0.0388578466826558,14.694000474720724,9.225543753663636,7.564987628236364,2.41318631035714,3.0307487599543723,6.620932582115657,0.5588388842413954,7.501459833885535,0.3115052354707122,26.330521484599767,-2.5576400824595806,-5.676607661836052,-0.5588388842413954,-7.028351156390742,-0.079681983498264,-26.330521484599767,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.45708166889938,10.313731660760318,11.141930868098386,11.933845115274291,12.6843534058145,13.390645252630152,14.051750556982558,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_68,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3099086597921471,1.2445066831076257,2.949105694990628,5.011707639849297,6.711970526783598,7.749291902518768,8.274041912094306,8.51520541253195,8.605035741409559,4.323372192527321,0.9745082106248334,0.0380757707994481,15.937593765684753,10.172091695644257,7.798824187875205,2.5859293145061546,2.947306143249817,6.480677909941171,0.5845504791099903,7.6237099761297396,0.216624004061431,26.42754029844889,-2.898198647850085,-6.382659349123303,-0.5845504791099903,-7.5746024807300065,-0.1925613313155617,-26.42754029844889,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,10.692609271241436,11.355126684598366,12.015492397495514,12.665712299346964,13.29829160318094,13.90722703792406,14.488277893450746,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_69,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3198228986715075,1.2390837605932823,2.802657420984924,4.78166770320632,6.522080248156992,7.619802835029818,8.182802485032102,8.443000195819128,8.540136043154599,4.103851965623536,0.982806161498643,0.0388501032337039,14.953081730478305,9.09959857113761,7.771150538995262,2.3061310690003176,3.057353513479138,6.680809887919206,0.5654623518859235,7.5810523285665266,0.310632282644338,26.59601460511416,-2.597270005380097,-5.762483205753522,-0.5654623518859235,-7.120968820467485,-0.085191363675808,-26.59601460511416,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.806471297014603,10.574955392673209,11.334324372233375,12.073003331532504,12.782568765960145,13.45748640013118,14.094616697242271,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_70,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2435410004107731,0.974071289621658,2.085819957777647,3.5934659542776,5.193043401884273,6.319487726033714,6.92635536013163,7.212766367111915,7.320598022779756,3.041609406115429,0.7755792699928312,0.0261759425597581,8.776322819129492,4.646173814485107,4.964620412090492,1.580526680158051,2.8693928465778766,6.20529317871094,0.4673482116444692,6.608178539733632,0.4245712503697742,23.693928465778768,-1.8040892698668152,-4.078947239595661,-0.4673482116444692,-5.542874963022569,0.0974275022186461,-23.693928465778768,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.295191111708275,9.919317547869657,10.560549869386133,11.20853407780542,11.853634422142225,12.487633764787892,13.104010432555974,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_71,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2428192196763592,0.97251518400257,2.0657540344608907,3.417560854666081,4.746149584054779,5.656908989920357,6.143572676263955,6.372628658604669,6.458783366542612,2.9395344829032224,0.7741826002969633,0.0260675188114958,7.540436802497451,4.272836173029903,4.292316487393434,1.5540360341052155,2.557085984395672,5.502074940203892,0.389271496098918,5.671257953187016,0.4355019905461514,20.57085984395672,-1.335628976593508,-3.064046752630771,-0.389271496098918,-4.449800945384852,0.1630119432769091,-20.57085984395672,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.317308736694178,9.934374590460216,10.571392512583571,11.217147508467937,11.861323737156306,12.4952008906064,13.111904663017556,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_72,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2435733505174638,0.9738993928779324,2.085752294402156,3.595795999423874,5.200922677291541,6.33276056948667,6.942945392660821,7.231010706624685,7.339479144404926,3.0427238729590016,0.775477435945355,0.0261928420870791,8.831800697214597,4.651022040702918,5.001673190265345,1.5803728338166427,2.8872036359689988,6.245397555075034,0.4718009089922496,6.661610907906996,0.4239478727410851,23.872036359689982,-1.8308054539534977,-4.136826783772095,-0.4718009089922496,-5.605212725891494,0.0936872364465106,-23.872036359689982,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.29936846186786,9.92576602967966,10.568630764096875,11.217755701353536,11.863614862606756,12.49807726069393,13.114690127247943,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_73,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2428610319427031,0.9725737947471084,2.0650306356339136,3.413181639141824,4.735027127676601,5.639747295820546,6.122808880475909,6.35009023392236,6.435565112345526,2.936842579371622,0.7742601027886616,0.0260679157434955,7.509301804639352,4.268730781994218,4.267220770411424,1.552801708517784,2.5654237992440767,5.520849114519894,0.3913559498110191,5.696271397732231,0.4352101670264573,20.65423799244077,-1.3481356988661146,-3.091142066165484,-0.3913559498110191,-4.478983297354268,0.1612610021587442,-20.65423799244077,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.32713943797715,9.942660102381623,10.578180203095634,11.222535554689602,11.8654420281327,12.498194407696722,13.113920980255934,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_74,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3204456503232511,1.2435714883344116,2.819077471033069,4.791752882866763,6.515984468246831,7.606733432877337,8.16811923613315,8.428091777917208,8.525231721658079,4.118978714233783,0.9857453107559616,0.0389263931632876,14.792868135971908,9.25653921304638,7.621333053944999,2.417220600980814,3.0257573548265952,6.60983450841697,0.5577289180091951,7.487588698900154,0.311390376045722,26.28336513431688,-2.5515318252653545,-5.663280351412732,-0.5577289180091951,-7.013363169338916,-0.0790198665607139,-26.28336513431688,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.453145139344096,10.310700974719502,11.139794559032367,11.932537138238366,12.68377700601128,13.390692315468586,14.052314210229769,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_75,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3098104436870658,1.2443002595944377,2.9507625723421778,5.022876429687137,6.736272931050371,7.782944246801612,8.312629286864874,8.55608912278399,8.646778185243555,4.330437327098198,0.9743049906641892,0.0380554822498835,16.041972694060608,10.206055429417058,7.853839485513816,2.5890104295121006,2.9464387415677065,6.478750112671419,0.5843583876004901,7.621305842371626,0.2166023694071466,26.41936145984833,-2.8971451344371943,-6.380360072838919,-0.5843583876004901,-7.572012235241115,-0.1924485019131959,-26.41936145984833,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,10.67339884173798,11.336854410155004,11.99826528269046,12.649581814958648,13.28326246141314,13.893270650895618,14.475344612147936,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_76,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3199261621458414,1.239324243214433,2.8041245135379524,4.786636489804681,6.531242225200559,7.631965743538877,8.19658327426564,8.457543791368694,8.554966646375536,4.107437844021095,0.9829911804610538,0.0388790618581521,15.00103469351022,9.118275487842514,7.794936939494292,2.30842104568258,3.056508084891671,6.679003408613031,0.5653459962936124,7.57927605524057,0.3104623693803326,26.589460350330604,-2.596951878044453,-5.761729219745983,-0.5653459962936124,-7.119719848393352,-0.0852798280251956,-26.589460350330604,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.84376008664486,10.611375058568068,11.369768650622763,12.10735859273529,12.815736895886594,13.48939499432171,14.125221249710275,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_77,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3202267466465403,1.2433602836603483,2.8176594508221786,4.781909092550771,6.492598092723464,7.572742730182723,8.128233406500586,8.38539370478158,8.481470718755947,4.112972639823648,0.9855173744361052,0.0388587876959419,14.693746535728296,9.22550810758494,7.564815730006306,2.413179883720552,3.030656056629531,6.6207284655313545,0.5588202281070935,7.50121788148628,0.3114989887235735,26.329684845289528,-2.5575462244414044,-5.676401240483854,-0.5588202281070935,-7.028108049298154,-0.0796751709513916,-26.329684845289528,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.457113903693092,10.31376167261693,11.141958509635044,11.93387038972674,12.684376431464688,13.390666218781782,14.051769688427555,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_78,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3098981367430189,1.244462704123486,2.9490082342869344,5.011560915886743,6.71179035879409,7.749092669986294,8.273833228713665,8.514992414640973,8.60482114021625,4.323240443169932,0.97447365058199,0.0380746167187848,15.936697973701913,10.171528529257731,7.798385001836717,2.585760228885143,2.9473986665688674,6.48088490137971,0.5845722974189947,7.623977045920824,0.2166235220388557,26.428439281224225,-2.8983243076210807,-6.382932480919927,-0.5845722974189947,-7.574902686973038,-0.1925770861544402,-26.428439281224225,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,10.6925811551879,11.355108308459164,12.01548214685845,12.665708690663603,13.298293326605146,13.907232967307497,14.4882870787592,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_79,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3198022884157896,1.2389897088200497,2.802496523977531,4.781473409665757,6.521869003222843,7.619583525155914,8.182579680184602,8.442775915630872,8.539911234509875,4.103666432409995,0.9827302455436,0.0388493360548399,14.95210166180893,9.098860004172288,7.770707779649361,2.3059243660684,3.057416014904636,6.680947120600942,0.5654745540021979,7.581212446922219,0.3106372838986555,26.596571154567137,-2.597329525117344,-5.762614486985508,-0.5654745540021979,-7.121125957134929,-0.0851949039028826,-26.596571154567137,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1532,9.806472920324827,10.574966806158288,11.334343993330776,12.073029526860829,12.78260000099242,13.457521316640369,14.094654141372605,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_80,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0974866854966511,0.5898859539864597,1.8452435430638805,3.8895157167285097,5.856862092691615,7.130686327422229,7.789261152103242,8.094475172874393,8.208531780913782,3.15548972290054,0.4323814950679174,0.0049143491508957,13.114599764154,4.384748849390578,8.156697604239818,0.8827889851130616,3.59094621267698,7.739909687701921,0.5596435597781191,8.068094690901932,0.5843121686776696,23.55116666116609,-3.59094621267698,-7.739909687701921,-0.5596435597781191,-8.068094690901932,-0.5843121686776696,-21.22031812108344,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.532465395836708,12.277745372369935,13.010185927318869,13.72056030302975,14.401828109551465,15.049177486984975,15.65976768391524,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_81,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1235237587683887,0.8382420590910333,2.4489140503554765,4.599250618091333,6.49099298479018,7.684039017789656,8.296489915613945,8.579733670706672,8.685508034062863,3.8616132600213966,0.6079207959204331,0.0052801691448965,15.346298744456291,7.324484208197397,8.747779921779193,2.1616067939396486,2.462395630789086,5.306894582212406,0.3832305752643713,5.528240232904057,0.4017896510314726,16.144283906589145,-2.462395630789086,-5.306894582212406,-0.3832305752643713,-5.528240232904057,-0.4017896510314726,-14.514162114560555,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,9.80951977328724,10.501755436749372,11.194796211113092,11.883196788493692,12.560425274548493,13.220202001899253,13.857238461586274,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_82,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0966330916752509,0.5650674705305062,1.7453507677963236,3.870437675751116,6.068368391488923,7.534358140762521,8.30081948744447,8.65759069244093,8.791140652707469,3.082577974311949,0.4186843998150298,0.0048511404456439,13.53799837461557,4.345425710506971,8.221458875593216,0.6915427694039651,2.95997148432088,6.405980349869482,0.48679775036666,6.854353487254159,0.428110751547245,19.667834925270995,-2.95997148432088,-6.405980349869482,-0.48679775036666,-6.854353487254159,-0.428110751547245,-19.2759851040618,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.304889280480808,12.111805695153,12.901365880068338,13.663592104769563,14.390817340195388,15.077943461787251,15.722192298190926,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_83,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1002612639879635,0.6162076384470662,1.867806567651792,3.862866708611591,5.8505300448423725,7.178111156919698,7.876048144771638,8.2020213046759,8.324232291353969,3.140657450318275,0.4511712412685206,0.005104474109068,11.248118975732943,4.596537223036687,6.46506236730141,0.9741960308107614,5.06020339328589,11.172667844173462,0.5077363908572861,3.298463057822451,0.4944136111879127,16.789907462918283,2.3811034752363183,5.448396944898359,0.1393337716229058,-3.298463057822451,-0.4944136111879127,2.0538026935430684,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1532,10.579983469229274,11.305853693537024,12.031460769950543,12.746941781258617,13.443480515989044,14.1140934789211,14.75380507701064,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_84,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0982652260817308,0.5929565853187698,1.7786107234737536,3.494517592579747,5.037685595645156,6.015988494585515,6.519130292814802,6.752002617408335,6.838994124078296,2.89826007875879,0.4352882544277954,0.0049842864568884,10.48885958676031,3.5614974078962227,6.659078550989638,0.764572532814072,3.936730408986178,8.491848405251826,0.6200227902102289,8.89691273066801,0.6269500409617466,25.88387994703318,-3.936730408986178,-8.491848405251826,-0.6200227902102289,-8.89691273066801,-0.6269500409617466,-23.71794326978513,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.500550708977327,12.242523874517191,12.97272009900226,13.681762924798845,14.362443742781592,15.009790429845689,15.62082176091298,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_85,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1248868945012118,0.8402992588586605,2.409708403507081,4.349351153828983,5.94495121302806,6.922295691127969,7.418858844199081,7.647645653645791,7.73296433570396,3.7030186415375055,0.6103913900411708,0.0054257123874604,12.863540082251683,6.496122019317945,7.455656505909886,2.1214434180547403,2.336232863298297,5.034807623518082,0.3634154917817284,5.243556797552126,0.381581570274536,15.315319234308774,-2.336232863298297,-5.034807623518082,-0.3634154917817284,-5.243556797552126,-0.381581570274536,-13.757920108229506,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,9.75092060535678,10.445645998612909,11.140025458429426,11.829044614533515,12.50654952524545,13.166529175236365,13.803859359348715,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_86,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0966795472096905,0.564197085815619,1.6822609301082865,3.5375481886821323,5.354534320273684,6.5347135351399945,7.144743960961842,7.427341648287344,7.532922540634173,2.8652475732707274,0.4188385208467324,0.0048477208568897,11.2915654634417,3.496810408553277,7.141584295623633,0.6572449491947162,3.084890610368272,6.673915289657514,0.50498028018542,7.124732851851632,0.451137810691072,20.474255853695567,-3.084890610368272,-6.673915289657514,-0.50498028018542,-7.124732851851632,-0.451137810691072,-19.924166561138023,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.510987406835778,12.299879694789846,13.074361859626787,13.823785104827772,14.53994111332204,15.2173228671658,15.85285612908063,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_87,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0986775172050489,0.6056044393912968,1.8031177456261016,3.672534052142534,5.4998560431008245,6.70273503316835,7.330177718516825,7.6221582517150095,7.731457047842486,2.9999580493782623,0.4443900395232412,0.0049553511577743,10.250616869533928,4.023376404306975,5.993629230659027,0.8666983327998558,4.148726268013532,9.153491104338674,0.400717666776295,2.482622919111109,0.4226999433163945,13.383170413900784,2.0764086048528023,4.751105476714546,0.1405984091251253,-2.482622919111109,-0.4226999433163945,2.978400107853997,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1532,10.847344746428265,11.563077186766275,12.280767793599034,12.98934013879003,13.679250672774062,14.343133099153196,14.975853623719892,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_88,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0972269109524428,0.5885858029201209,1.838307649991821,3.870942098649437,5.826898628423513,7.093491732920003,7.748389440457906,8.051914730703821,8.165342846368473,3.141176622454661,0.431493543877548,0.0048912820907257,13.05823757713478,4.343092128971885,8.12665760193141,0.8707761046171846,3.598497174822632,7.756224992592879,0.560859470107264,8.085372935680743,0.5854587284378351,23.6010805751858,-3.598497174822632,-7.756224992592879,-0.560859470107264,-8.085372935680743,-0.5854587284378351,-21.267677033395323,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.47584063266063,12.230250226975178,12.970091240518627,13.686472166881488,14.37262772419562,15.023970339632177,15.63784001023048,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_89,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1227060565448645,0.8357603253369368,2.4469017065232497,4.60290361301094,6.499925888029477,7.695577655562247,8.309108172637865,8.592792195736857,8.698721527417705,3.8630631395495953,0.6057882318441297,0.0052059660086867,15.418100239782708,7.345005206343327,8.768789654638331,2.147181648032736,2.498944820208456,5.38622460895608,0.3894664904963038,5.614676744178887,0.4066033318599054,16.389389006005317,-2.498944820208456,-5.38622460895608,-0.3894664904963038,-5.614676744178887,-0.4066033318599054,-14.767930233698989,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,9.83199259942847,10.528146036308849,11.22460610407087,11.9158038922128,12.595175272656077,13.256468853490391,13.894458972978098,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_90,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0961845196481066,0.5649369549960704,1.758371230213517,3.9133497166250826,6.13777126881496,7.6188996637474204,8.392592844643383,8.752585703272294,8.887319099209327,3.114766109858127,0.4180403128032806,0.0048086605392775,13.79103034820262,4.470651585517184,8.340987706086471,0.7028778685887968,2.952136235201421,6.388241154195806,0.4847444451618859,6.830091796496508,0.4285834204087356,19.608125627625963,-2.952136235201421,-6.388241154195806,-0.4847444451618859,-6.830091796496508,-0.4285834204087356,-19.17142998532492,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.369932623510264,12.176604088345526,12.96535684836684,13.72628695451451,14.451820374944688,15.136956877858513,15.779010211951578,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_91,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1001951729053444,0.6161962478923156,1.8750185842293128,3.8933623851075008,5.90742588325188,7.252672733345704,7.959784712768965,8.290009451979431,8.413808540631447,3.161987326966963,0.4510129308939757,0.0050987717774636,11.445996804763984,4.67900566949816,6.563246848241969,0.9828046678040314,5.071499594070741,11.199292371023008,0.5076917320241571,3.265999350158089,0.4931945613827787,16.744669057014825,2.425266200509032,5.545646680919814,0.1442009457653882,-3.265999350158089,-0.4931945613827787,2.205037606664067,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1532,10.519766647806009,11.252367224063647,11.98367923678352,12.704044021872209,13.404796995895726,14.079070454861988,14.721979372051395,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_92,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0981645201229547,0.5919441039666788,1.7735151749137443,3.482678315297617,5.0199328329342885,5.994605044770469,6.495902044598121,6.727923671479715,6.814597751421555,2.888769371555787,0.4346669000649069,0.0049757621743046,10.427426104575511,3.527785664294852,6.623108911830736,0.7562716027512312,3.931945268962253,8.481499546119638,0.6192428226279664,8.885887849985984,0.6262432542727745,25.852154571090928,-3.931945268962253,-8.481499546119638,-0.6192428226279664,-8.885887849985984,-0.6262432542727745,-23.68727123914638,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.537170065127036,12.278870807636192,13.008420776808885,13.716516586212157,14.396026992560495,15.0420516124338,15.651670293336126,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_93,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1248596624131844,0.8403111872650564,2.4083654239702827,4.343591597114253,5.93555130640401,6.911065238330958,7.406825210444302,7.635269485773215,7.720464729326046,3.6988507352128974,0.6103904269570032,0.0054230880375033,12.837318709416598,6.481237506766246,7.443234016523602,2.116476273907156,2.335895925606458,5.034108470521832,0.3633894589261811,5.243011597015905,0.3814711398021841,15.313374217294095,-2.335895925606458,-5.034108470521832,-0.3633894589261811,-5.243011597015905,-0.3814711398021841,-13.757782496800385,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,9.702419503393312,10.401404922934288,11.09950260526243,11.791785745277837,12.47217499688999,13.134720678696144,13.774347992729744,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_94,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0967199836865605,0.563715284640558,1.681072877620288,3.5391026701670407,5.357979018726034,6.538400906074589,7.148261357505813,7.430716142907652,7.53623357710106,2.865734049916891,0.4186211058324583,0.0048521633860272,11.310889221364452,3.499469873583392,7.146782865835957,0.6531522067185521,3.074882435683344,6.652264854500749,0.5033434167124199,7.101629769382702,0.4496712183887565,20.40784634554092,-3.074882435683344,-6.652264854500749,-0.5033434167124199,-7.101629769382702,-0.4496712183887565,-19.859626991452675,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.500790350707204,12.290654730510983,13.06576840091648,13.815632295289353,14.532126019505942,15.20979316021357,15.845587529568329,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_95,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0986856191078889,0.6065539551694858,1.804377500058438,3.669142356027328,5.490648593818922,6.689494838947505,7.314782908344148,7.60574892697954,7.714666001699601,2.9985223776111614,0.4449794376143086,0.0049529591228695,10.224201999054314,4.025037886162429,5.9745797545179045,0.8700759825374034,4.155891526916003,9.16973823848078,0.4017214900398024,2.488148593729308,0.4225771533300052,13.406471210132771,2.081599674784977,4.762457707273351,0.1406690492385437,-2.488148593729308,-0.4225771533300052,2.964373578082427,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1532,10.796486085681709,11.515386690516143,12.235696577241267,12.946554517717212,13.63854506312004,14.304374338787907,14.938946759445798,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_96,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975009036321294,0.5899123104106805,1.8452605815078555,3.889537462601551,5.856898369459994,7.130734238838857,7.789315519422653,8.094532615346195,8.20859038493687,3.1555078993994616,0.4324079154619727,0.0049158780459457,13.11478825265403,4.384841440012917,8.156831652081065,0.8828232358904725,3.5910085545377,7.740046709120096,0.559655866735935,8.068255488425182,0.5843168715780094,23.551601440047847,-3.5910085545377,-7.740046709120096,-0.559655866735935,-8.068255488425182,-0.5843168715780094,-21.22086789882695,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.532222047026114,12.27751432754923,13.009964805624731,13.720348068509834,14.40162439269653,15.048982200320966,15.659580817543112,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_97,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1234988691770426,0.8382033479183173,2.448919718629868,4.5992994342511935,6.4910621912350965,7.684114946372403,8.296567804181677,8.579812159113041,8.685586699151587,3.861650049028192,0.6078789659307074,0.0052776461300248,15.34672921158463,7.324628271966558,8.748009204989883,2.161634500315926,2.4624965347034062,5.307110437437843,0.383244704691075,5.528454172232006,0.4018094221534115,16.144929720427783,-2.4624965347034062,-5.307110437437843,-0.383244704691075,-5.528454172232006,-0.4018094221534115,-14.514646654858218,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,9.809508587370113,10.501723658228675,11.194746007432007,11.883130754000296,12.560346146015712,13.220112446300188,13.85714093977269,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_98,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0966192802215901,0.5650228316080974,1.7453038150847089,3.870460917290644,6.068470251947633,7.534507652423516,8.300992124938404,8.657773677810598,8.79132744430961,3.082572490445828,0.4186466996836303,0.0048499723313691,13.53838344402907,4.345479347077681,8.22166004178404,0.6915085636143857,2.960046674935956,6.406142697170036,0.4868097442194337,6.854524628691426,0.4281224078578075,19.66833081687412,-2.960046674935956,-6.406142697170036,-0.4868097442194337,-6.854524628691426,-0.4281224078578075,-19.276448720680584,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.305006035680927,12.111947865747304,12.901527733887193,13.663768187825402,14.391002821155602,15.078134277749353,15.722385166646587,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_99,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1002758250961266,0.6162381037931878,1.867839800775897,3.862936966642268,5.850653256858418,7.178270530677607,7.876226092112356,8.202207780600881,8.32442193858598,3.140710935369775,0.4512003389883973,0.0051060044820389,11.248587638757572,4.596764875940275,6.465272125985528,0.9742507319830822,5.060190619428206,11.172641006149655,0.507731146865623,3.298365993086376,0.4944116842354705,16.789692362841357,2.3811703488571694,5.448544621329259,0.1393437199418009,-3.298365993086376,-0.4944116842354705,2.0541952858884707,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1532,10.579976080959604,11.305853213951409,12.031468527648292,12.746958179577517,13.443505268844032,14.114125852337402,14.753844091358223,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_100,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0983007598291698,0.5930598181690018,1.778757138560367,3.494676282255272,5.037858170249935,6.0161749355181575,6.519325332585694,6.752201947739458,6.839195105323085,2.898415359961546,0.435376970850365,0.0049877748429634,10.489284198703956,3.5618599855068007,6.659345798072866,0.7647445171333458,3.936579051600829,8.491519482997402,0.6199965739783998,8.896551643428028,0.6269309299297663,25.88286099778814,-3.936579051600829,-8.491519482997402,-0.6199965739783998,-8.896551643428028,-0.6269309299297663,-23.716864920483847,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.500578266442052,12.242546562412366,12.97274043989599,13.681782757627817,14.362464260024806,15.0098123018803,15.620845276216462,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_101,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1248974649107672,0.8403118306270103,2.409726903078883,4.34940173610174,5.945036035496463,6.922402142046982,7.418976190323817,7.64776797698998,7.733088507029734,3.703056705995341,0.6104047699035547,0.0054273676453532,12.863923385252155,6.49625298065896,7.455902629060395,2.1214384532753177,2.336214544282559,5.034773279686839,0.3634176632825406,5.243555850542885,0.3815680338051183,15.315249354238198,-2.336214544282559,-5.034773279686839,-0.3634176632825406,-5.243555850542885,-0.3815680338051183,-13.758163708365052,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,9.750902453359052,10.445645050506345,11.140039442936494,11.829071163555746,12.506586316586766,13.166574052383838,13.803910403450534,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_102,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.096658946583781,0.564154151172838,1.6822608048564118,3.5376188135450897,5.354644537438015,6.534838783642956,7.144874596917134,7.427474319960424,7.533055904117563,2.8652966033338174,0.4187964319659156,0.0048455833297129,11.292141740087228,3.4969256128287087,7.14192657183902,0.6572527159011424,3.084975919678639,6.674099626966002,0.5049940272277352,7.124928137500521,0.4511507434642891,20.474819870670547,-3.084975919678639,-6.674099626966002,-0.5049940272277352,-7.124928137500521,-0.4511507434642891,-19.92470230754827,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.511105036927754,12.299969808344194,13.074428954387672,13.823833275310818,14.53997394074454,15.217343397151794,15.852866900143304,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_103,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0986491708496518,0.6055587924288075,1.8031263252848275,3.672592531264709,5.4999415408755405,6.702835369439908,7.33028563919149,7.622269717667709,7.731569846355057,3.0000028516623454,0.4443410429792641,0.0049523884509423,10.25101397360857,4.023472501264652,5.993880346528508,0.8667122920284627,4.148846647182515,9.153757976494296,0.4007344098408002,2.482777539564756,0.422708037719451,13.383707099517537,2.076415624257246,4.751123164782056,0.1405927441974397,-2.482777539564756,-0.422708037719451,2.978040473783118,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1532,10.847333420896096,11.563066195987684,12.280755525464045,12.989325789645276,13.679233971062372,14.343114102208304,14.97583257438543,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_104,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0971996061279804,0.5885185117817107,1.838258417057352,3.870953004169093,5.826948530801107,7.093556926797338,7.748459918072484,8.051987106739606,8.16541584638619,3.141167707092246,0.4314322488945149,0.0048883605300488,13.058786808047817,4.343062594765573,8.127065324680734,0.870718304208362,3.5986013803370334,7.756451925466807,0.560877987322624,8.085625278918025,0.585470902987636,23.601786774911407,-3.5986013803370334,-7.756451925466807,-0.560877987322624,-8.085625278918025,-0.585470902987636,-21.26845221089851,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.475940109166826,12.230346180669098,12.970184392201173,13.686562809388628,14.372715900543014,15.02405596973612,15.637922971523162,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_105,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1227180120741399,0.8358161591969682,2.4470153319879624,4.603052134108381,6.500081849215776,7.695731422104119,8.309259340607738,8.592941881315518,8.698870617663154,3.863203640154144,0.6058320169309055,0.0052066585983832,15.418868996572698,7.34557351645171,8.769115853403912,2.147396253227781,2.49891850967158,5.386168982668944,0.3894634492593277,5.614626103746201,0.4065968262944859,16.38922704095118,-2.49891850967158,-5.386168982668944,-0.3894634492593277,-5.614626103746201,-0.4065968262944859,-14.767848899795045,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,9.831982345238783,10.52812523777505,11.22457809113608,11.915771127055974,12.595139570257952,13.25643154274249,13.894421017340033,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_106,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0961893406604553,0.5649565762165156,1.7584331182436843,3.913463328183763,6.137918953932701,7.619064552114692,8.39276557953998,8.752761873368446,8.887496522937857,3.114863593583949,0.4180549455877929,0.0048091673891093,13.791786722764751,4.47094027476653,8.341479333178317,0.7029629967320474,2.9521316324319344,6.38822967777688,0.4847422068156152,6.830069286956856,0.4285858655788557,19.60808023031582,-2.9521316324319344,-6.38822967777688,-0.4847422068156152,-6.830069286956856,-0.4285858655788557,-19.1712963149334,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.36986147048786,12.176539608105962,12.965298332642472,13.72623367962067,14.45177167729528,15.13691218022899,15.778969024705509,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_107,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.100214533125719,0.616238816629176,1.875056649471307,3.893387394140781,5.907438901051115,7.252677127858801,7.959784284138628,8.290006699628275,8.413804905448794,3.162016759182938,0.4510529128136721,0.0051007577896722,11.446111008870329,4.679109995823716,6.563335825745145,0.9828474692270296,5.071612893060008,11.199538151085155,0.5077052608975429,3.266159839481253,0.4932120363947951,16.74522841250424,2.425230897909951,5.545575115290363,0.1441941991868013,-3.266159839481253,-0.4932120363947951,2.2047859440745783,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1532,10.51990391530601,11.25247359081895,11.983760865604973,12.704106016697493,13.404843518617229,14.079104853285694,14.722004310245008,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_108,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0981846754871098,0.5919990959296311,1.7735817842991222,3.482739360784684,5.01999311251161,5.994668819644862,6.495968797638399,6.727992060056446,6.814666791413455,2.888832397362317,0.4347154264355124,0.0049776580062558,10.427650868859963,3.5279026261746065,6.623273121203228,0.7563184926985839,3.931894792201063,8.481390298231023,0.6192345154265929,8.885770915613803,0.626235965782675,25.85181911527124,-3.931894792201063,-8.481390298231023,-0.6192345154265929,-8.885770915613803,-0.626235965782675,-23.68694211885619,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.537212446106007,12.278932343636097,13.008497666942608,13.716605313574222,14.396124431087484,15.042155079077306,15.651777551942637,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_109,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1248502778969353,0.8403009652390604,2.408377697380024,4.34362051349439,5.935593039124824,6.911115921137356,7.406880859912307,7.635327523600677,7.720523674154358,3.6988746450120207,0.6103771047508207,0.005422284425736,12.83757910648031,6.481253310387798,7.443430091508259,2.116508859046346,2.335989732442911,5.034316044044035,0.3634093414759905,5.243264464250836,0.3814753517974462,15.31404207697446,-2.335989732442911,-5.034316044044035,-0.3634093414759905,-5.243264464250836,-0.3814753517974462,-13.758705241104783,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,9.7024587133049,10.40146184278304,11.099574869566768,11.791870705944062,12.472269979780762,13.134823169696483,13.774455746791537,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_110,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0966945321533232,0.5636591457935849,1.6810370183600276,3.5391000966444444,5.3579972834866245,6.538429540309983,7.148294706141021,7.430751552333003,7.536269738003325,2.8657213361696217,0.4185676651040197,0.0048496595332356,11.311020361234494,3.499433752220212,7.146889132908409,0.6531069250184744,3.074996396149209,6.652512788846265,0.503363430455281,7.101903839791459,0.4496850301570222,20.408616285298866,-3.074996396149209,-6.652512788846265,-0.503363430455281,-7.101903839791459,-0.4496850301570222,-19.860458151123627,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.500884283059008,12.29075164399749,13.065866747986751,13.815730805549451,14.532223660385274,15.209889115364176,15.845681177106076,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_111,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0987111705478155,0.6066319321123558,1.804487195978573,3.66923426563144,5.490713211050833,6.689541995272938,7.314821245232252,7.605783220963513,7.71469879147727,2.9986234782677283,0.445045530607315,0.004955448438549,10.224407267850385,4.025338673483533,5.974603724203227,0.8701963197301733,4.156102986912468,9.170207703934478,0.4017437830683067,2.488279529902248,0.4225931097425007,13.4071474149465,2.081718990632172,4.762727069934824,0.1406755193268792,-2.488279529902248,-0.4225931097425007,2.9644168652893974,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1532,10.796486774953566,11.51540670240777,12.235732738564144,12.946603796119993,13.638604663386788,14.304441774541488,14.939019886357306,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_112,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.097511345140358,0.5899400272120267,1.845286179328525,3.889536968932428,5.856872288952242,7.130693321175599,7.789267470712149,8.094481378768974,8.208537975377178,3.1555174232048646,0.4324328471000008,0.0049166738488416,13.114673484336857,4.384828802261576,8.156680002547409,0.8828074358748488,3.5909277958742165,7.739869793988665,0.5596404957406695,8.068051761799573,0.5843095789229603,23.55104393677778,-3.5909277958742165,-7.739869793988665,-0.5596404957406695,-8.068051761799573,-0.5843095789229603,-21.220195722475783,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.532435598942408,12.277715102437394,13.010152476538153,13.720522401407155,14.401785429549015,15.049130279175133,15.659716518864728,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_113,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1235313478190791,0.83825010877534,2.4489012635871297,4.5992151621026105,6.490945517067064,7.68398640208575,8.29643517080533,8.57967803929243,8.685452086188295,3.861584303807824,0.6079305510046155,0.0052812812632246,15.346060012117688,7.324378190592608,8.74763337027491,2.161543622411993,2.46241603635504,5.306937701186371,0.3832329115547259,5.528279328792846,0.4017947435490449,16.144409297322458,-2.46241603635504,-5.306937701186371,-0.3832329115547259,-5.528279328792846,-0.4017947435490449,-14.514223627055616,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,9.809485306867158,10.501695527158386,11.19471507604666,11.883098588229752,12.56031389145589,13.220080900650292,13.857110626263683,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_114,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0966297963227369,0.5650605342466117,1.7453435344675183,3.8704370751278176,6.0683827742412895,7.534384771493219,8.3008528839766,8.657627290307477,8.791178455320827,3.082573727824077,0.4186777865326799,0.0048508378809548,13.538037286245189,4.345397052071572,8.221447762760613,0.6915131559704102,2.9600458926974857,6.406142445807567,0.486811025053176,6.854534093122892,0.4281193348100982,19.668339714019183,-2.9600458926974857,-6.406142445807567,-0.486811025053176,-6.854534093122892,-0.4281193348100982,-19.27654229023489,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.30483570491848,12.111799042280282,12.901397858991322,13.66365491864016,14.39090402452719,15.0780480348361,15.722309773890755,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_115,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1002642175859836,0.6162091357553956,1.8678050050976505,3.862880647527086,5.850558401077829,7.178146151045207,7.876085739067781,8.202059924089669,8.324271265734701,3.140665172856932,0.4511742307655359,0.0051047999415553,11.248221585708338,4.596549316059615,6.465090243325502,0.9741806210268544,5.059988949601441,11.17219211850481,0.5077138487835425,3.298327672583252,0.4943967989096147,16.78921507884073,2.380986469709124,5.448132338402471,0.1393274920260718,-3.298327672583252,-0.4943967989096147,2.053760808541905,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1532,10.580109299513156,11.305957439221164,12.031549154504429,12.747019624491063,13.443551161894217,14.114159176276631,14.753867291381177,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_116,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.098284974474831,0.5930075528223367,1.7786527567173052,3.494523543067736,5.037669595188755,6.015964525780107,6.519103778436717,6.75197524672752,6.838966483153772,2.898277702919589,0.435334253119214,0.0049862921628204,10.488446951701771,3.5615369246603445,6.658773536398203,0.7646364604515469,3.936614506615854,8.491596469175569,0.6200026535749587,8.896635735215524,0.6269355357343553,25.88309906882885,-3.936614506615854,-8.491596469175569,-0.6200026535749587,-8.896635735215524,-0.6269355357343553,-23.71711321716783,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.500569904948746,12.242524294857343,12.97270589611033,13.681737854954624,14.362410966028774,15.009752480850665,15.62078060416226,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_117,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1248858946524829,0.8402691132341158,2.4096475136290225,4.3492923081881605,5.944899868944242,6.922246424347101,7.418809572316425,7.647596128939469,7.732914676270098,3.702956921919202,0.6103699409656989,0.005426467020876,12.863107624244558,6.49593873074888,7.455359535970793,2.1213092205629804,2.336101727212542,5.0345264361471385,0.3633964846404871,5.243273604336439,0.3815572285891223,15.314473482467578,-2.336101727212542,-5.0345264361471385,-0.3633964846404871,-5.243273604336439,-0.3815572285891223,-13.757245288771392,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,9.750961824885316,10.445684298914363,11.140060342119828,11.829076004488687,12.506577559550855,13.166554096491073,13.803881453307952,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_118,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0966683537714922,0.5641616184839686,1.6822151062032875,3.537517377078329,5.354518533038162,6.534706286101212,7.144740858582418,7.427340422087538,7.532922009342355,2.865210705036535,0.4188086846388576,0.0048465441498778,11.291516664351764,3.496709681890243,7.141536113221154,0.6572065829018601,3.085126585934824,6.674427939986516,0.5050209965784809,7.125294558562671,0.4511679342932539,20.47584289545893,-3.085126585934824,-6.674427939986516,-0.5050209965784809,-7.125294558562671,-0.4511679342932539,-19.92583683081954,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.511121754923591,12.299989840641144,13.074452001951531,13.82385890927848,14.540001662841677,15.217372695721084,15.852897290492388,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_119,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0986288385268761,0.6054989678227753,1.8030484957112165,3.672531470905088,5.4998924459330825,6.702788539617245,7.330238421975854,7.622221991116844,7.731521878294662,2.999935130421093,0.4442897702001984,0.0049503987092616,10.25074713803159,4.023294836518269,5.993750737024858,0.8666429985710462,4.148755151053713,9.15355852927586,0.4007251895148785,2.4826900833577685,0.4226948428109346,13.383338954849084,2.076407706043197,4.751100557963127,0.1405933197978963,-2.4826900833577685,-0.4226948428109346,2.978064166169792,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1532,10.847364468555986,11.563112372305984,12.28081566775982,12.989398114143402,13.679316400061584,14.34320451134277,14.975928954452062,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_120,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0972095216591483,0.5885449967350551,1.8382918585535728,3.870977312957593,5.826962286132619,7.093566264657163,7.748467906801688,8.05199469204629,8.165423317018297,3.1411962749727502,0.4314557317879187,0.0048891572482556,13.058680958610289,4.343151927580959,8.126903469611408,0.8707542590594952,3.598467861248709,7.756160267609574,0.5608533933250704,8.085295007849275,0.5854571260292197,23.600873239494256,-3.598467861248709,-7.756160267609574,-0.5608533933250704,-8.085295007849275,-0.5854571260292197,-21.267398226511386,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.47587318590072,12.23026915874338,12.970102229319735,13.686479174665005,14.3726333833615,15.02397629639519,15.637847209336604,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_121,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1227260240767037,0.8358092461599176,2.4469585965531766,4.602954126108153,6.499965131289824,7.695608116230188,8.309133709909533,8.592815368288456,8.698743803139497,3.863116870274196,0.6058326009795958,0.0052078687649224,15.4181452127167,7.345287017280156,8.76864611001843,2.147275455257595,2.498770699487132,5.385848023660358,0.3894380964097579,5.614275470765194,0.4065776402882026,16.388234461533237,-2.498770699487132,-5.385848023660358,-0.3894380964097579,-5.614275470765194,-0.4065776402882026,-14.7668132512474,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,9.832007174848904,10.52817120356369,11.224640967165511,11.915847148674422,12.595225449144053,13.256524473286088,13.894518659943802,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_122,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0961814037425507,0.564932699633952,1.758369873939095,3.913355904115014,6.137784420753026,7.61891567463778,8.39260976584105,8.752602917620322,8.887336402583259,3.1147692892170395,0.4180356053247175,0.0048083316741974,13.791220346514235,4.470649970056471,8.341134515626976,0.7028604104450206,2.9520915803194097,6.388143283571535,0.4847359001662102,6.829978781649091,0.4285794840074692,19.607816903259145,-2.9520915803194097,-6.388143283571535,-0.4847359001662102,-6.829978781649091,-0.4285794840074692,-19.171055110037663,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.369923573563394,12.176574148495238,12.965309268075709,13.726224976126137,14.451747070654871,15.136875025609976,15.778922229096931,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_123,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1002114154819959,0.6162356350626025,1.875059254237493,3.893392881510096,5.907449317260968,7.252694197601961,7.959805988718354,8.290030828531124,8.413829984845336,3.162021448368243,0.4510488906832594,0.0051003948627306,11.446022568414609,4.679148201934113,6.563197893561874,0.9828616850081988,5.071269158344325,11.198785384036627,0.5076568428768776,3.2656093252809164,0.4931737733215687,16.743446876307402,2.4253439110892243,5.545812537699484,0.1442225544651701,-3.2656093252809164,-0.4931737733215687,2.2060753398391046,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1532,10.519758669824816,11.252331078670782,11.98361668614326,12.703957975482032,13.404690946857768,14.078948049851643,14.72184412192444,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_124,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0981836898055734,0.5920071755021208,1.7736019004946728,3.482730793734539,5.019943023932872,5.994591785606697,6.4958784343898905,6.727895701993198,6.814568225209321,2.888837337681568,0.4347194051252074,0.0049777694986002,10.4276657304141,3.527924899470153,6.623247666971784,0.7563378710025151,3.931978955131677,8.481573430619859,0.6192493216170285,8.885973528067904,0.6262461126187614,25.852387991828664,-3.931978955131677,-8.481573430619859,-0.6192493216170285,-8.885973528067904,-0.6262461126187614,-23.687557737533616,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.537229624795678,12.278927202867566,13.00847505685421,13.716569532820772,14.39607909274759,15.042103110371224,15.651721260757345,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_125,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1248580440514943,0.840339336958046,2.4084540070616547,4.343715614602426,5.935692561491243,6.911216693203882,7.40698217296176,7.635429086129225,7.720625330855184,3.6989658991404535,0.6104074192840588,0.0054224355651399,12.838107344602994,6.481609972593221,7.443689888798004,2.116657465310178,2.336098436271409,5.034550906126861,0.3634268326187242,5.243513097221204,0.3814918852736696,15.314760507544287,-2.336098436271409,-5.034550906126861,-0.3634268326187242,-5.243513097221204,-0.3814918852736696,-13.759386101953648,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,9.702269942497225,10.40128702538238,11.099414013231891,11.791723475569942,12.472135752743071,13.134701125795988,13.77434495486429,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_126,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0967134535336265,0.5637183375805203,1.6811519497180372,3.539261467838649,5.35817386079344,6.538606075006494,7.148468956657028,7.430924298439914,7.536441854605746,2.8658705244112097,0.4186167882384316,0.0048515020294385,11.31180039956585,3.499823715054181,7.1473356659186775,0.6532455728765237,3.074880734974345,6.65226143036795,0.5033433878516531,7.101627837787571,0.4496704456489577,20.40783755338826,-3.074880734974345,-6.65226143036795,-0.5033433878516531,-7.101627837787571,-0.4496704456489577,-19.85963347474399,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1532,11.500936135999318,12.290783836222689,13.0658826660934,13.815733523129182,14.532215875144828,15.209873132849753,15.845658926115474,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM1532_127,RSM1532.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.098713141123803,0.6066383039105394,1.8045099292902,3.669292163752,5.490803218619806,6.689650896460792,7.314939366042559,7.60590549778945,7.71482260322824,2.998668641041284,0.4450505705415048,0.0049556575436488,10.224894212223058,4.025440631830686,5.974972070661461,0.8702094034426942,4.155973252738175,9.169920523169656,0.4017273689760457,2.48813895048593,0.4225830166846691,13.406615693976574,2.08169479411705,4.762670427765456,0.1406785481418,-2.48813895048593,-0.4225830166846691,2.9646628606067464,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM1532,10.79651265464751,11.515407679038312,12.23571063465505,12.94656126586266,13.63854474810658,14.304367572800793,14.938934337875812,C(Cn1nncn1)Cn1nncn1.[Zn]rna.cat0,"linker C(Cn1nncn1)Cn1nncn1, nodes [Zn], topology rna"
RSM0159_0,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,26.0,55.845,4.0,8.0,1.83,132.0,0.0024036318306145,0.16691587431117,1.2457852966960004,3.5993960368376223,6.0897323226196045,7.750918911185495,8.618369396356785,9.02187176573808,9.172869176158787,2.712546935716998,0.0866283512415339,1.1565503055964278e-06,12.062619241254463,3.8004948621745176,7.424635120139874,0.4221556933140208,19.013812474522165,41.86822417355329,2.0023020790870283,6.999999999999999,1.2080662535668962,61.09208316348113,-19.013812474522165,-41.86822417355329,-2.0023020790870283,6.967770892781602,1.2080662535668962,-61.09208316348113,-19.0,-41.8383,-2.0,7.0,1.21,-61.0,-25.0,-54.83706,-3.0,-7.0,0.3700000000000001,-101.0,RSM0159,19.718406689687622,20.14471694576512,20.478544330309447,20.744440086927224,20.959440711853382,21.135622158915584,21.281714981645266,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_1,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425398840598342,0.4865717865513258,1.379481455002979,3.1247427034260986,4.974076228755754,6.223077829744404,6.8805934395499975,7.187672273126206,7.302785083497998,2.470323922558739,0.3856662107472112,0.0206841506791352,9.245180734281568,2.457493487197662,6.298388664938865,0.4552406118450453,4.867564665590319,10.598752623705437,0.8630643309890513,11.763406921331628,0.5715194018166588,36.07998360972814,4.867564665590319,10.598752623705437,0.8630643309890513,11.763406921331628,0.5713666025260252,36.07998360972814,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0159,3.6751944544699673,4.403686031191537,5.1437110515375375,5.876693029273953,6.589414977239717,7.273278727326365,7.923369879273702,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_2,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434862329660544,0.4851289853544183,1.344047969644273,2.9763217571969123,4.684086590416296,5.832355771398263,6.435914724486428,6.717633847995415,6.8232175032004525,2.367974443833875,0.3856957321790155,0.0209617653572129,8.948295332026472,2.1347514125082863,6.156451865943263,0.3509255893146526,4.702376871074594,10.241716055070183,0.83672789354814,11.396200019459712,0.547036090375457,35.059068192996826,4.702376871074594,10.241716055070183,0.83672789354814,11.396200019459712,0.547036090375457,35.059068192996826,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0159,3.771382569577937,4.487922150548012,5.216986921918427,5.940068004843047,6.643928326086773,7.319889585660853,7.962924103781479,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_3,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1435013160070052,0.4783622621210388,1.269238561493,2.792586483117696,4.423193025237804,5.529317512490883,6.112356943993834,6.384754874855746,6.486879225282493,2.2192777715921204,0.3829549339983483,0.0209712967351325,8.539242427426752,1.91231423983859,5.922569871544294,0.2571756970418052,3.863892282418596,8.418159360263884,0.6891766827930754,9.355549915054644,0.443145767144088,28.93119431854937,3.863892282418596,8.418159360263884,0.6891766827930754,9.355549915054644,0.4427624501444611,28.93119431854937,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0159,3.936459529638749,4.676414026188524,5.4198819288722,6.150196089219408,6.855891447671975,7.529799637501493,8.168096021773906,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_4,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1424151475958143,0.4902453759634981,1.3793019300105749,3.023678643544283,4.696998138906439,5.804088003711983,6.381463410227248,6.650013582840465,6.7505146274531045,2.417250575082788,0.3876984076249272,0.0206240516936446,8.782006457024275,2.2443649992796555,6.110783377404463,0.4940324743091653,4.321114990209796,9.413531064038324,0.7710367472130063,10.489408967913846,0.4981691760554864,32.366997353861464,4.321114990209796,9.413531064038324,0.7710367472130063,10.489408967913846,0.4981691760554864,32.366997353861464,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0159,3.464380233037168,4.16881293662679,4.893040153262224,5.617125857006188,6.326446946209468,7.01112799344814,7.665172638342732,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_5,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1435039455895368,0.4783740109757748,1.269316865591713,2.792806345759166,4.423536698283947,5.529726902580572,6.112795422445931,6.385205698865048,6.487334478970655,2.2194465321269963,0.3829622505442411,0.0209720519099676,8.540359216279999,1.9127024576306075,5.923324924414231,0.257297059659054,3.863528901795607,8.417370309010154,0.6891175977512223,9.354788328320296,0.4431016836592612,28.92884689760185,3.863528901795607,8.417370309010154,0.6891175977512223,9.354788328320296,0.442719678824524,28.92884689760185,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0159,3.9363113602151687,4.676265610884573,5.419732514448476,6.150045982430254,6.855741454055441,7.529650725086257,8.167949134056972,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_6,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1424154686152746,0.4902200674616986,1.3791396893690615,3.0232162087684533,4.696221996435891,5.803107592165693,6.380377918883454,6.648879567069547,6.7493625093327845,2.416901501002414,0.3876847754020265,0.0206242817922087,8.779991665966001,2.243509587575133,6.109420135879822,0.4936340605185228,4.320185947220337,9.411495581030143,0.7708596644162391,10.48706326255025,0.4980858188638626,32.35924677303506,4.320185947220337,9.411495581030143,0.7708596644162391,10.48706326255025,0.4980858188638626,32.35924677303506,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0159,3.464902026896531,4.169387781704288,4.893653138138117,5.6177634533913645,6.327097503594011,7.011781875154726,7.665822140893653,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_7,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425415272860198,0.4865809452340676,1.3795272416186422,3.1248775141627494,4.974341616997363,6.223446925821125,6.881020743539913,7.188127461077505,7.303250828252897,2.470421225819738,0.3856720763880605,0.0206845867540073,9.246248659826849,2.457878139402814,6.298926934841663,0.45524383801239,4.867652573433888,10.598956350559558,0.8630894714901605,11.763638640832344,0.5715020672523775,36.081325738864784,4.867652573433888,10.598956350559558,0.8630894714901605,11.763638640832344,0.5713482581726896,36.081325738864784,25.0,54.83706,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3700000000000001,0.0,RSM0159,3.67506994681022,4.403563171560871,5.143591817733306,5.876578865300905,6.589306772545181,7.27317689364959,7.923274455188379,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_8,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1434974689137142,0.4851460184918999,1.3440487794872429,2.976195152536513,4.683743547127052,5.831837694966897,6.435297665835829,6.716969185644101,6.822534786066864,2.3679070521963506,0.3857120954643224,0.0209650022719319,8.947611949186383,2.134591970331571,6.155988106543726,0.3509382030570919,4.702423986208859,10.241812763531312,0.8367305008588825,11.396267993079915,0.5470537014386871,35.05901512907748,4.702423986208859,10.241812763531312,0.8367305008588825,11.396267993079915,0.5470537014386871,35.05901512907748,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0159,3.771623679667278,4.488175347647826,5.217238993094474,5.940310672479328,6.644156936032266,7.320101968601038,7.963119698399422,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_9,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1452027946831565,0.4949467731399096,1.3880123464254503,3.04279753953561,4.736349806326016,5.860290217523245,6.447170520453194,6.720272028265809,6.822495206591986,2.4312994877683174,0.3918139500441153,0.0214387080333134,9.527358132712468,2.379590136167011,6.552952014332816,0.4271679642749956,4.284701068112173,9.32848881450985,0.758951740934289,10.356314995586484,0.5057048674129575,31.70311652483937,4.284701068112173,9.32848881450985,0.758951740934289,10.356314995586484,0.5057048674129575,31.70311652483937,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0159,4.016319174561577,4.757355042356934,5.50080526526083,6.230144530113361,6.934055813650936,7.605504810569658,8.240780880644653,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_10,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1442050857484513,0.4743109540071161,1.1985430754298896,2.4983808630967315,3.842669226531675,4.740718174541532,5.210821725894399,5.429784857616123,5.511772170534595,2.0167219989764567,0.3817039618664092,0.0211877630650675,7.152412047616359,1.3865428922727463,5.0190502729448205,0.1292436019095065,4.079804738419589,8.87677938845183,0.7171664227837733,9.817136120689774,0.493054833979674,29.80262590276619,4.079804738419589,8.87677938845183,0.7171664227837733,9.817136120689774,0.493054833979674,29.80262590276619,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0159,4.031670758934867,4.781219854184153,5.533040641832427,6.269916853014295,6.980189327366409,7.656718031940813,8.295830357348084,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_11,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1452054130272299,0.4949500659461817,1.3880515397431017,3.042987695885063,4.736734978698605,5.860814131013296,6.447768499279497,6.7209047433560105,6.823140961143651,2.4314268616623647,0.3918169546554934,0.0214394840233203,9.52882805248629,2.3799746706070564,6.553828575861407,0.4272184380221483,4.285328093533193,9.329846924023384,0.7590559362227005,10.357775583314798,0.5057932997635933,31.70727506792307,4.285328093533193,9.329846924023384,0.7590559362227005,10.357775583314798,0.5057932997635933,31.70727506792307,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0159,4.017042256796505,4.758095767076616,5.501547385835362,6.230876136914274,6.934768585904925,7.606193231418175,8.24144154643198,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_12,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1442020717100341,0.4743232678116668,1.1985553242360103,2.4982657493257348,3.842421535870668,4.740401748246367,5.210476244537639,5.429427439252662,5.5114105393574215,2.0166590256453727,0.3817097993025101,0.0211867431537391,7.152165799304547,1.3864401257538117,5.018844876439197,0.1291584899047952,4.079572134957187,8.876264577300983,0.7171170127169986,9.816508236693174,0.4930446194233249,29.80033021540395,4.079572134957187,8.876264577300983,0.7171170127169986,9.816508236693174,0.4930446194233249,29.80033021540395,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0159,4.031209759555605,4.780709679340571,5.532497188110784,6.269353621611904,6.979617280993036,7.656145767865164,8.295264415427782,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_13,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2396020990745215,0.964294925374504,2.1692342021266144,3.857344937942771,5.514849610791041,6.617561197035575,7.195750340198566,7.465412085883725,7.566447242717946,3.252295497725268,0.7648125024116874,0.0257037719603996,10.00868268702714,5.200693767076761,5.793269898771977,1.7450253703250589,2.837553051977379,6.133947677077164,0.4597283676818751,6.51537999343238,0.4249714233369779,23.3823326135244,-1.7597306248413729,-3.982614112513694,-0.4597283676818751,-5.437557566296374,0.1031615659596656,-23.3823326135244,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0159,8.846560383574895,9.550077684052738,10.249966372578296,10.939813775262731,11.613605141599695,12.266240997485118,12.893763790853406,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_14,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2399080444862394,0.965307090384811,2.17823283373598,3.763492013103285,5.205396526312848,6.131812985497863,6.611200843723115,6.8336479760492725,6.916829968609213,3.2130129226977777,0.7648685888130556,0.0259778837675033,9.33381490468914,5.09396783649018,5.2705824698797406,1.7486692072959764,2.66512215349674,5.745629995155746,0.4165651538740773,5.99764338448936,0.4311230320778403,21.65691384496525,-1.5005293852440331,-3.421102829723341,-0.4165651538740773,-4.833050616236651,0.1395274243659865,-21.65691384496525,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0159,9.115268679144314,9.797694666357968,10.482568379195149,11.161545664041071,11.82711838353424,12.473115750689598,13.094858702812944,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_15,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2410238948247333,0.9674259757333118,2.148715699099914,3.703916999533276,5.182300142750428,6.159705190346129,6.672122010032931,6.911223161784637,7.000834155243284,3.156007290761756,0.7676685347017989,0.0260286363728424,9.099336395788196,4.879026574759602,5.260636373002982,1.697686869336406,2.307839397349006,4.954055320867373,0.3398723882032508,5.026818502975012,0.4171092894741862,18.33664475081005,-1.0908844846835024,-2.5250133151870275,-0.3398723882032508,-3.8098635903095097,0.1791986177319108,-18.33664475081005,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0159,8.946973213428365,9.641637437412678,10.332880733303282,11.01438939600619,11.68029510656365,12.325619290008603,12.946476799664492,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_16,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2379508748571545,0.9609159985927216,2.1555645801840093,3.712655299192104,5.145915270908667,6.072688865056304,6.553231022241491,6.776347992691103,6.859796277015001,3.1698463334735294,0.7613271286883299,0.025561167172653,8.913813329684587,4.844758500066676,5.168516060976557,1.725280662752467,2.4801790241596,5.33428304977975,0.375303803000888,5.482609448166705,0.4271497355363392,19.90697118081576,-1.27285900584928,-2.9244722932323515,-0.375303803000888,-4.275289429856384,0.1644370734357178,-19.90697118081576,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0159,9.209723244688355,9.892511446800272,10.576426051176778,11.25353586345115,11.916621954478888,12.559718344456382,13.178294608626796,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_17,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2410354311800045,0.9674450261256148,2.148732095860633,3.704003539981609,5.182482854002424,6.159948097462449,6.672393830464411,6.911507767499354,7.001123433427826,3.1560618618369265,0.767688555675629,0.0260301863578637,9.100168527124158,4.879157408394284,5.261242863436608,1.6977121257112116,2.3077618792473245,4.953875440339502,0.3398477935799621,5.026544227887021,0.4171229543132684,18.335765267835868,-1.0907160565522966,-2.524651978240226,-0.3398477935799621,-3.809498405191993,0.1792294988072953,-18.335765267835868,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0159,8.946317649425433,9.641096831490152,10.332433655767913,11.014018448095534,11.679986157792392,12.32536088415094,12.946259667585768,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_18,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.237971220920423,0.9609618139066084,2.155590297168154,3.712534954022684,5.145576991847599,6.072186591940599,6.552639199784783,6.775713777643275,6.859146088799343,3.1697907857289365,0.7613696685593118,0.0255633456171509,8.912836566590391,4.844643601722459,5.1677411188558855,1.7253147714764383,2.480427055389339,5.334823113028825,0.3753477946651255,5.483209412710343,0.4271788883440122,19.909091170249205,-1.2730508912619172,-2.92490028943049,-0.3753477946651255,-4.275833248582923,0.1644354320784246,-19.909091170249205,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0159,9.208662486592743,9.891531953754235,10.575527227732808,11.25271442939713,11.91587314269035,12.559036689182763,13.17767444478968,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_19,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2396098994261512,0.9643008990295197,2.1692752395880586,3.8575576685321966,5.515232161588169,6.618042200108925,7.196278576828378,7.465961418340952,7.567004334570893,3.252442074959656,0.7648208315038447,0.0257050720926138,10.009852563342848,5.201382739852926,5.793774690459776,1.7451003553453104,2.8380524946638843,6.135070038194282,0.4598510489705975,6.516860886428665,0.4249585195470486,23.38728345273137,-1.7604579950420902,-3.98419141694918,-0.4598510489705975,-5.43926638680687,0.1030627852676307,-23.38728345273137,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0159,8.845955562321116,9.549518874129694,10.249446619354991,10.939328505208998,11.613151143258063,12.265815809915471,12.89336535632762,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_20,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2399112062963261,0.965300611432124,2.178222660633221,3.7634834032373967,5.205405478340777,6.131842050876278,6.611242655306567,6.833696185970984,6.916880645479904,3.2130021597829623,0.7648640265162945,0.0259804851051611,9.333928548243382,5.094031914547743,5.270589928179569,1.7486656321238274,2.665332191416934,5.746103113766269,0.416617837711748,5.998274893110919,0.4311153145996267,21.65901771131963,-1.5008461857005466,-3.421789046356358,-0.416617837711748,-4.833788887394531,0.1394828282014034,-21.65901771131963,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0159,9.113468951093488,9.796022773659466,10.48100627573788,11.160079857662414,11.825738635410104,12.47181409086323,13.09362872209378,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_21,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2423880394556015,0.9716696706189542,2.174378141634058,3.786450785332503,5.326238828504979,6.3444089875097385,6.878084999506562,7.127076808454447,7.220390002875771,3.2167030266812824,0.7707091295723548,0.0264446855927181,9.647685452886838,5.067668899877344,5.626494179094852,1.7503789247025618,2.480495560322124,5.3440419482415,0.3842277854418848,5.554317843857199,0.4085644751298821,20.087033510448308,-1.3617822940967248,-3.111090268855605,-0.3842277854418848,-4.435604577631803,0.139605025320563,-20.087033510448308,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0159,8.941307746325203,9.62481924393734,10.308343081557656,10.984897504711313,11.64798355772241,12.292075511460403,12.912839603498004,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_22,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2381798023970756,0.9626737351496832,2.161367876922041,3.633276837589386,4.904931834297948,5.705017006405352,6.116046546547274,6.306275916888476,6.377341445119935,3.1336907371149287,0.761925349235129,0.0258973761009493,8.367438971996826,4.885037302026491,4.647158725613588,1.7458796882662078,2.9549470201633663,6.399514280876298,0.4902812278835886,6.877196843232076,0.4183334613245134,24.580359658488604,-1.94786525867252,-4.389379084940568,-0.4902812278835886,-5.870115081741229,0.0751366018060016,-24.580359658488604,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0159,9.271274464137758,9.95799610170844,10.646386676995206,11.328117561104118,11.995660168701292,12.642816170845634,13.264897206763845,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_23,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2423894023032619,0.9716789166055692,2.1744323174226667,3.7866444186559183,5.326608240011045,6.344901260854554,6.878642244770709,7.127664397700817,7.220988963348148,3.216839222542273,0.7707147131802852,0.026445424142378,9.64896280413078,5.068192782373669,5.627137601077452,1.7504765863144822,2.480487442654967,5.344025479734803,0.3842275257103211,5.554307648337535,0.4085610429092594,20.08698772748125,-1.3617878144482445,-3.1111010218341835,-0.3842275257103211,-4.435608020130813,0.1396017749120349,-20.08698772748125,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0159,8.941672519163998,9.625191766074796,10.308721881643775,10.98528077934102,11.648369225159533,12.292461382491476,12.913223549096353,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_24,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2382086919584032,0.962753231147448,2.161463661789284,3.6333492628688826,4.904951259039367,5.7049921317276935,6.115996580756703,6.306213901577706,6.377274864047087,3.133776161220116,0.7619962864702947,0.0258992761325432,8.367629787398613,4.885339534350725,4.647104483924217,1.745971004025188,2.9549349988561544,6.399486409168284,0.4902774369856085,6.877154494741021,0.4183355317697376,24.58022373399294,-1.9478393709999309,-4.389323535967263,-0.4902774369856085,-5.870058866884799,0.0751413258798119,-24.58022373399294,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0159,9.2715016277791,9.95816005541174,10.646501075095337,11.328193315047956,11.995705913956405,12.642838703799518,13.264901859779735,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_25,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0946237777354421,0.6007279167031376,1.8809926750884232,3.9520646523292826,5.959065935262182,7.263782327069373,7.939619868982257,8.253109524399768,8.370302129435414,3.206591649696966,0.4369356178722949,0.0046543328073067,11.86725101999374,4.751779454365805,6.856371898595647,0.984440576310077,4.495150897611506,9.805056912519325,0.5166752223630136,4.069199958187413,0.4825532728144529,18.84946932634042,1.692542077262481,3.820340718568586,0.1346608802553008,-4.069199958187413,-0.4825532728144529,3.568895642031917,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM0159,10.117703191945637,10.915190371409732,11.697920275257475,12.456986316875438,13.185343735297272,13.878064157669357,14.532174491889846,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_26,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0964509677322956,0.5895528265064621,1.7897101693364543,3.681141963094354,5.503125865134173,6.68726311931242,7.300700620901248,7.585254649233032,7.691630849728993,3.0031046989461774,0.4321534556517706,0.0049071791385723,10.891529022763626,4.083090452273724,6.443547528963904,0.7194402209526646,3.047269513269144,6.555602883386791,0.461554567866435,6.721825523460496,0.5214069662078492,19.81740936043982,-3.0230030759789708,-6.502167805319556,-0.4590002060464168,-6.721825523460496,-0.5214069662078492,-17.00478159607425,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM0159,10.909017430853146,11.66275376126658,12.40229848691437,13.118873337836936,13.805808136225696,14.458590620728287,15.074599254282075,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_27,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1291391129341904,0.826073364358978,2.247441406950548,3.883086868591561,5.202785923208838,6.015021369963074,6.42989099790652,6.621578906453898,6.693151132117872,3.345819894885557,0.6066418979551211,0.0057037412315146,9.50862686684148,5.201226326798048,5.628999726564504,1.8404820832175923,1.592425979103144,3.37261648622028,0.189814063837464,3.110938489802856,0.3816791957018662,9.86027053389036,-1.592425979103144,-3.37261648622028,-0.189814063837464,-3.110938489802856,-0.3816791957018662,-5.324854573106758,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,8.863681969669233,9.576004281039651,10.284349748770332,10.98515140611446,11.673410355682211,12.34392462305598,12.992064274638045,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_28,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1028901387980736,0.5658006768538453,1.5889388209095954,3.125121637047928,4.5489293054954505,5.4580583049863725,5.925772275903599,6.142131927483844,6.222927314726839,2.5832696619048066,0.4251131567017189,0.0056378729988248,8.69153011985443,2.6104553822073613,5.970199010225848,0.7249783657217366,1.84213084161564,3.983437495691377,0.2997226483501116,4.239912028416533,0.2732265508564291,12.207880691579314,-1.84213084161564,-3.983437495691377,-0.2997226483501116,-4.239912028416533,-0.2732265508564291,-11.76993117642961,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,12.043215375085582,12.772661739341508,13.470912518924129,14.13646257908758,14.767794431632794,15.363820717321335,15.92407021303478,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_29,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0957987923968134,0.6004786618027151,1.816520309152159,3.738217246908136,5.638169289135311,6.897380140909775,7.556233064471868,7.863232160227304,7.978213616232685,3.043968778797847,0.4386587025870997,0.0047517664144582,10.890033860753883,4.143811859584654,6.473072102595807,0.888901749492646,3.6887446361370935,8.046704621188319,0.3975310452632744,2.712826238675025,0.3937750208572917,14.403569168436563,1.951767394705551,4.373791931443459,0.1962070632464777,-2.712826238675025,-0.3937750208572917,6.350609887764693,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM0159,10.11735608402352,10.903823554609906,11.677481607600493,12.42937135348362,13.152280023266234,13.841049721943392,14.49246052603631,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_30,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0972344741990784,0.5891812322412464,1.739854928717213,3.4941887576758592,5.220478787836528,6.375448130101541,6.984110090130523,7.268768992517051,7.375554529170039,2.8645764934692144,0.4331304803389635,0.004961841799078,9.681368434148231,3.5218550599693845,5.978108793667881,0.7373234540673314,2.7081528453121844,5.8239191617399655,0.4091341883695536,5.981226352268614,0.4678130986269078,17.63210611025646,-2.7081528453121844,-5.8239191617399655,-0.4091341883695536,-5.981226352268614,-0.4678130986269078,-15.098628959307833,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,10.92502321921166,11.666843436331453,12.396825339144414,13.105993496252797,13.78739541150094,14.436208128664202,15.049509869712647,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_31,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1285881223035277,0.8223480577032478,2.2285523229523063,3.802676499273679,5.040264035042944,5.79688940841479,6.183465664117465,6.362248771982315,6.429038516484288,3.291821553165061,0.6040348480235472,0.0056634344466049,8.966046416005048,4.994296258591829,5.370648537602904,1.812608442392332,1.2799083228296184,2.6903405040636885,0.1326249478819761,2.340907905885428,0.3486426876343629,7.725791092967853,-1.2799083228296184,-2.6903405040636885,-0.1326249478819761,-2.340907905885428,-0.3486426876343629,-2.884204737590242,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,8.92389338031304,9.634508976693128,10.341266495375915,11.040502209090526,11.72715892815319,12.396008231043766,13.042416577759884,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_32,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1002940792287512,0.5582136405580591,1.5868044611462748,3.164713457452677,4.6251008788320425,5.54860358889667,6.020407749611002,6.237872662088813,6.318952236313344,2.606658683499391,0.4187604056010858,0.0053405081703354,8.737330720951032,2.6991964408171536,5.968742249181713,0.7463501091056906,2.846366650464001,6.166388213000057,0.4742465277033809,6.640338872091048,0.3988019505502606,18.974298529353813,-2.846366650464001,-6.166388213000057,-0.4742465277033809,-6.640338872091048,-0.3988019505502606,-18.96542368691665,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,12.163788218355048,12.902920176428724,13.608584447314918,14.279361804645584,14.913916537281407,15.511402703394063,16.071616405341615,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_33,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0958021191264293,0.6004844693997483,1.81651468369134,3.7382415898204457,5.63827495787743,6.897555433706118,7.556447956885869,7.863466082902319,7.978454750474414,3.043974528971781,0.4386650883252826,0.0047521026940332,10.890018601985544,4.1438510525017325,6.473006367310844,0.8889087671248831,3.688930022191287,8.047107526090304,0.3975564035871274,2.7131105261458024,0.3937981266801999,14.40454917768145,1.9517231042449683,4.37369972126643,0.1961965570903731,-2.7131105261458024,-0.3937981266801999,6.350155317811276,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM0159,10.117791728037558,10.904224099814828,11.677853369926224,12.429718727456011,13.152606128517949,13.841356838960143,14.492750386470073,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_34,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0972259705657382,0.5891510412042885,1.739835319842382,3.494310079281988,5.220769050545632,6.375846722183094,6.984563059412157,7.269246714109839,7.376041424351859,2.864639066385231,0.4331061331731643,0.0049608673167418,9.682073983961391,3.522041209041509,5.978503629376545,0.7373522551030861,2.707994519802914,5.823566320613281,0.4090981844095048,5.980779995078952,0.4678111274434676,17.630954443109616,-2.707994519802914,-5.823566320613281,-0.4090981844095048,-5.980779995078952,-0.4678111274434676,-15.096900309650769,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,10.923986751338289,11.665909672906013,12.395979082670973,13.105222489688252,13.786689694656015,14.435559533867462,15.048911632080571,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_35,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.128586145344192,0.8223229430950516,2.228474578111428,3.80256445908569,5.040145880956005,5.796775254053845,6.183355263679088,6.362140425538072,6.428930983593845,3.291717411072673,0.6040185255076941,0.0056633284028591,8.965738448443672,4.993972019038568,5.370667409700374,1.8125441474241977,1.2798127471354488,2.6901422751939954,0.1326176541042269,2.3407539799692647,0.3486111724774934,7.725240276719513,-1.2798127471354488,-2.6901422751939954,-0.1326176541042269,-2.3407539799692647,-0.3486111724774934,-2.884172051618642,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,8.923439096027623,9.634058447289544,10.34081748083339,11.040054368608567,11.726713178209526,12.395566172380864,13.04198006527291,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_36,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1003141640091535,0.5582666047234122,1.5868591994016938,3.1646951966417696,4.6250012736500645,5.548458634099306,6.020242577582732,6.237698921490097,6.318775426383029,2.6066708245049046,0.4188072617615978,0.0053423050869409,8.7370050949357,2.6991949441809147,5.968553113620911,0.7464698163260716,2.846266632242392,6.166171703922052,0.4742300304726803,6.640106876023834,0.3987875858061427,18.97363346593876,-2.846266632242392,-6.166171703922052,-0.4742300304726803,-6.640106876023834,-0.3987875858061427,-18.96476897187567,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,12.165654887803674,12.904320788495074,13.609628197808066,14.280131699728294,14.914475798042016,15.511799629147582,16.071888027441716,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_37,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0946214186090235,0.6007221095454449,1.881053438814592,3.952290736931837,5.959463818063549,7.264292940046365,7.940188832648085,8.253705516679732,8.370908218114991,3.2067556203831304,0.4369280668967368,0.0046545230281962,11.868516257362655,4.752488880618662,6.856875560763564,0.9845143321996777,4.49519866756895,9.805169856622925,0.516682416116081,4.06915188504753,0.4825402077416127,18.849484284066143,1.6927024836847135,3.820686182140031,0.1346755998053571,-4.06915188504753,-0.4825402077416127,3.569211631637183,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM0159,10.116599475047355,10.914221965108204,11.6970685198431,12.45623519712879,13.184679489665578,13.877474969878968,14.531650229445514,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_38,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0964366239503606,0.5895133494625854,1.789696138293568,3.6812499963754974,5.503373690662298,6.687603069627301,7.301087863825268,7.585663671366847,7.69204798461966,3.003163994307377,0.4321179330231535,0.0049060364383518,10.8923117919915,4.083349648407652,6.4439092752929374,0.7194367303279124,3.0478302341673267,6.556820905088211,0.4616603341819386,6.723372477789161,0.5214791245188,19.82154082654821,-3.023753936535912,-6.503804517551767,-0.4591259870628422,-6.723372477789161,-0.5214791245188,-17.009912023243018,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM0159,10.90986258357998,11.663581897698911,12.403100549652336,13.119643646419943,13.806543386412477,14.459289211130445,15.075260803202406,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_39,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.129136316951287,0.826053451344328,2.247414040708465,3.883172963267733,5.203037235972697,6.015385731163111,6.430313396521205,6.6220279406057925,6.693610067810837,3.345853994979838,0.6066277380069961,0.0057035592158901,9.509411232521266,5.201419749438695,5.629434427416297,1.840462351312214,1.5924282282875428,3.3726247067410053,0.1898177119549738,3.110969923927333,0.3816726367554511,9.860318260987452,-1.5924282282875428,-3.3726247067410053,-0.1898177119549738,-3.110969923927333,-0.3816726367554511,-5.325098695410449,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,8.864156912135593,9.576422682425132,10.284714530623123,10.985467414921857,11.673683146743516,12.344159755700383,12.99226694203852,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_40,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1029033245385072,0.5658316276410335,1.5889663222396198,3.125205341427684,4.549139652292717,5.458377700199784,5.926154626773815,6.142544798873896,6.22335179803247,2.5833228651935776,0.4251423312168508,0.0056390580132048,8.69201926172127,2.6106117967285973,5.970507343933426,0.7250253717350563,1.841408532022848,3.981874416857348,0.2996039999019741,4.238240531238642,0.2731217808970498,12.203082659133983,-1.841408532022848,-3.981874416857348,-0.2996039999019741,-4.238240531238642,-0.2731217808970498,-11.76523733302395,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,12.045677817466382,12.774853996160868,13.47288338663318,14.138248226269605,14.769422332222875,15.365312269828909,15.925442489941654,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_41,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0958060312405965,0.5965284600988257,1.8283767748985909,3.823621030488584,5.795939144768718,7.096069221391507,7.774055567438631,8.089467133166247,8.207520023111874,3.101023117448778,0.4360312978000651,0.0047344420113523,11.532013823466675,4.396725454584535,6.788094832370462,0.8802001330503162,4.030771105074836,8.788033741919921,0.4569810120000568,3.562797211324533,0.44102822485698,16.770580379426853,1.5658444524440494,3.5358020833507293,0.1321364151071941,-3.562797211324533,-0.44102822485698,3.776796503712347,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM0159,10.153126412099327,10.932806408065508,11.70159084468238,12.450315216811669,13.171420359312265,13.859380873971253,14.51065073951066,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_42,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0960285190772951,0.5923854773326116,1.7798147795837578,3.5938756125135614,5.338518506159132,6.480917831191843,7.075772821188914,7.35240666744293,7.455934376762958,2.946348598010347,0.4336785062795171,0.0047792556350466,10.16586542114674,3.867831521573259,6.1228692312818245,0.7577154880672579,3.167891949378149,6.823207190036245,0.4889659930750704,7.0796198939787125,0.5254384697376453,20.72911967764145,-3.167891949378149,-6.823207190036245,-0.4889659930750704,-7.0796198939787125,-0.5254384697376453,-18.388159768364183,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,10.894879400300814,11.626762377316242,12.351911518833132,13.060250391146342,13.743704271466305,14.39645739224656,15.014789368167447,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_43,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1309927792557681,0.8307845465832514,2.245778635067977,3.837292984435196,5.082547787990922,5.833214673020136,6.212673023256063,6.387179485176128,6.452209904287006,3.320262847317505,0.6109574834856104,0.0058707803142302,9.211833857686337,5.106728199558387,5.471769615375092,1.836659351584684,1.0115968483334563,2.111583897720048,0.0903795498909507,1.7346332474610628,0.3058854009123971,5.96177974057679,-1.0115968483334563,-2.111583897720048,-0.0903795498909507,-1.7346332474610628,-0.3058854009123971,-1.2685842506992726,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,8.804848646413573,9.519682001637552,10.230112043594932,10.932436723468149,11.621727939062694,12.292927272695458,12.94155219258649,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_44,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0935383025138565,0.5453140656283757,1.5665589899436174,3.0530597154054813,4.365750617398299,5.17590674084079,5.58540127223585,5.773291818892686,5.843216649430404,2.537358118890176,0.4059065288962639,0.0045842025014922,8.379755615213275,2.497256273712181,5.784076944177792,0.697649644952977,3.0343306003895174,6.56230268311748,0.4945234509953481,6.990518208352304,0.4483227471006324,20.11688751190108,-3.0343306003895174,-6.56230268311748,-0.4945234509953481,-6.990518208352304,-0.4483227471006324,-19.444988567726785,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,12.28256041976031,13.035168195071604,13.754092890421644,14.436789856982562,15.081268658464882,15.686407998713888,16.251995206677865,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_45,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0958090185207536,0.596538242520134,1.8283267927830664,3.8234113905542406,5.79557376853295,7.095602650355521,7.773536066438709,8.088922905941722,8.206966520414793,3.100871955502744,0.4360409277045755,0.004734532985003,11.53080052596505,4.396136088497016,6.787601875977225,0.8801786974343876,4.031547060248593,8.78972582822016,0.4570665923596497,3.563422481013486,0.4411123748294754,16.773704968480022,1.566202157189536,3.5366063340925606,0.1321701673706797,-3.563422481013486,-0.4411123748294754,3.77784796892122,19.0,41.8383,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.21,-40.0,RSM0159,10.153181645525226,10.932812262370804,11.701558823966687,12.45025482539639,13.171339277791814,13.85928519369964,14.51054521567237,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_46,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0960340687611401,0.5924079360420638,1.7798526841007043,3.593879212682636,5.3384715347213465,6.480842743877289,7.075686022643356,7.352315195029048,7.455841285806131,2.94636921642074,0.4336962322995721,0.0047796251594061,10.16542357795435,3.867933854312496,6.122714343251407,0.7578927061254678,3.1677590984394435,6.822926538527903,0.4889508565477474,7.079365950821424,0.5254051594850575,20.72830405767469,-3.1677590984394435,-6.822926538527903,-0.4889508565477474,-7.079365950821424,-0.5254051594850575,-18.38776446614511,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,10.8955566195198,11.6273837944902,12.352480875787103,13.06077167994695,13.74418156591194,14.396894688327873,15.01519046833578,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_47,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1309892374736656,0.8307574323318786,2.245707642073046,3.837193337474941,5.082430426306305,5.833084333991996,6.2125349268605445,6.387037510278553,6.452066431679182,3.320170898507327,0.6109384215298891,0.0058706212954326,9.21141379437959,5.106395096128132,5.471702618623134,1.8365884313191,1.0116811731467987,2.111765478482796,0.0903925230570075,1.734821357602859,0.3058994764222155,5.962331096304069,-1.0116811731467987,-2.111765478482796,-0.0903925230570075,-1.734821357602859,-0.3058994764222155,-1.2690707482565362,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,8.804624710807406,9.519450226741318,10.229871136864174,10.932187443126764,11.621472119750274,12.292667194562956,12.941290190978776,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0159_48,RSM0159.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0935527637631915,0.5453661748998521,1.566678211663142,3.053238742438995,4.365957372638681,5.1761212539847,5.585617155745302,5.773507769220448,5.843432535055312,2.537520434161917,0.4059480329711566,0.0045854604911574,8.379995940127086,2.4976295720485857,5.784230940129365,0.6979456501609864,3.0334732433923124,6.560446278819467,0.4943815606871714,6.988525728889684,0.448200611819173,20.11118182383328,-3.0334732433923124,-6.560446278819467,-0.4943815606871714,-6.988525728889684,-0.448200611819173,-19.439343031140435,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0159,12.2783795157793,13.031353129315724,13.750583514018524,14.433543822702443,15.078254732429738,15.683601978788804,16.249377455534336,"[Fe].n1ncn(c1)[N][N]n1cnnc1ths,acs.cat0","linker n1ncn(c1)[N][N]n1cnnc1, nodes [Fe], topology ths,acs"
RSM0155_0,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.011221700432011,0.3248161684970471,1.6274688424873789,3.7140879665976905,5.580135769476125,6.738433684585666,7.326150175644165,7.596374610583283,7.697034353698323,2.984952386323961,0.1915473798266648,2.960736775997327e-05,11.547182291471048,4.796741782721692,6.506849050807926,0.8136848989099993,20.332312704844515,43.40506293943217,2.046861908735624,6.136306382511725,1.4699869252234854,59.61877008727111,-20.332312704844515,-43.40506293943217,-2.046861908735624,5.292792025270488,1.4699869252234854,-59.61877008727111,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0155,17.384456866432593,18.135148070088256,18.75149477731869,19.26155952480148,19.687071865468432,20.044851005861737,20.347959518872365,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_1,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.0112316278842872,0.32494549833786,1.6278781887751788,3.7148408543723415,5.581171353225865,6.739648646632153,7.32745899814026,7.597727360003797,7.698403597434557,2.9855916653980343,0.1916359707757585,2.966500264542774e-05,11.551372081491168,4.79839021149291,6.509516919082387,0.8142140197776929,20.332661045972102,43.40582467347078,2.046926912868272,6.136608082710609,1.4699537961704217,59.62157867091848,-20.332661045972102,-43.40582467347078,-2.046926912868272,5.291923651081718,1.4699537961704217,-59.62157867091848,-20.0,-42.694,-2.0,6.0,1.53,-48.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0155,17.36662036464626,18.119337709723148,18.737457931103982,19.249061111278884,19.67590348089972,20.03483234926547,20.338936509497515,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_2,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,28.0,58.6934,4.0,10.0,1.91,124.0,0.006376710107319,0.2719017601204864,1.6004490790216417,4.008055442962972,6.3744403335198445,7.924339037268074,8.730667251323972,9.105470039346102,9.245708836139622,3.1350653322797326,0.1515759716598001,7.770941199569144e-06,13.372018144765097,5.116652597491635,7.69204137645541,0.7347661053077703,20.036459252874177,42.772082490156144,2.005208464696312,6.015625394088933,1.5235415037765745,58.18229626437088,-20.036459252874177,-42.772082490156144,-2.005208464696312,5.921873029555335,1.5235415037765745,-58.18229626437088,-20.0,-42.694,-2.0,6.0,1.53,-58.0,-27.0,-57.68546,-3.0,-9.0,0.2900000000000002,-93.0,RSM0155,19.304039709158346,19.837016349791632,20.262823655780444,20.60759824328432,20.89018160756821,21.1243674427466,21.320404192711216,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_3,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1920013212912791,0.7894409261605829,2.047429815151616,4.051552698364149,6.037176291869555,7.346871141213769,8.029670391623792,8.347238581264786,8.466082514595216,3.325212860652228,0.6136697337816587,0.0245838990365942,12.617747027317982,5.488640844519662,7.231280344602712,1.603821154699952,5.940920948500324,12.729221928769055,0.8334728716397067,11.389410076140685,0.9038602721055388,29.16105077748241,5.940920948500324,12.729221928769055,0.8334728716397067,11.389410076140685,0.8870224047156142,29.16105077748241,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0155,1.967365894187844,2.4582057611061527,3.0066770664850093,3.601129895088046,4.229900084007644,4.882221046662493,5.548628178314089,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_4,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411887835347969,0.4889921098958054,1.426659669294116,3.2580639750563694,5.201055935794149,6.517301230887682,7.21131602861036,7.535659585549234,7.657276875115423,2.5718436135298464,0.3855624943974584,0.0202807067702226,10.144047420590711,2.654948959769952,6.671146357375456,0.4062212226582694,4.395625576551146,9.51491707913997,0.7259883129602926,10.203532080233488,0.5948252947647111,28.84105402446476,4.395625576551146,9.51491707913997,0.7259883129602926,10.203532080233488,0.5948252947647111,28.84105402446476,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0155,3.3275762314990462,3.996013834978264,4.684551263745807,5.376390471089969,6.058433942434434,6.721274803455289,7.35875832078006,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_5,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1921916032344257,0.7912838297850693,2.0501063255383927,4.056763321285876,6.046612287111458,7.359743436737719,8.044509909937771,8.36303159141013,8.48223847849605,3.329253047746912,0.6151795860191839,0.024439965130857,12.638740232899131,5.499361799086025,7.244870708544773,1.619223548778811,5.969156579794914,12.789013707457878,0.8359323939554635,11.384087271374682,0.9040818296662898,29.21485401793527,5.969156579794914,12.789013707457878,0.8359323939554635,11.384087271374682,0.88650881759874,29.21485401793527,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0155,1.9511971870816989,2.438629550388032,2.984222630951354,3.576552688566151,4.204065064620818,4.856000593861918,5.522827385935788,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_6,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411875910297795,0.48957723039987,1.4257770550886315,3.245724451410766,5.1778606106335445,6.488897657402682,7.18084713119557,7.504376922662957,7.625713090158388,2.564018550109658,0.3858991893403115,0.0202777539316766,10.07684619705606,2.6306829990031804,6.628834370285182,0.3998525189481332,4.471529868359197,9.679008548507085,0.7383177229560515,10.378071652007607,0.6054850608772462,29.32459126512761,4.471529868359197,9.679008548507085,0.7383177229560515,10.378071652007607,0.6054850608772462,29.32459126512761,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0155,3.323030817074104,3.990666906252073,4.678520236890347,5.369810726317092,6.0514423198964105,6.713999046563413,7.351311370887281,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_7,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.191978907885865,0.7902004954848693,2.049083715421599,4.053094098213888,6.037725242424878,7.346499602302794,8.02876014560083,8.346066300806312,8.464810443637894,3.326935758839279,0.6142088587332994,0.0245145025898559,12.62191513205228,5.496434285074898,7.229332007413689,1.6041503546428164,5.949798067090149,12.74825983721074,0.8347589685670662,11.408133510032927,0.9053348960746788,29.206881595212646,5.949798067090149,12.74825983721074,0.8347589685670662,11.408133510032927,0.8884909185212414,29.206881595212646,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0155,1.9624645019350584,2.4523589478275087,2.9999856411427466,3.59377448661597,4.222109161947841,4.8742398665142055,5.540693942137125,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_8,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141235425918681,0.4895042635219673,1.4296448748129011,3.262927081530751,5.205757659280084,6.521332098704908,7.214885837159199,7.53899472760834,7.6605212577323005,2.5763471540352847,0.3858394346167681,0.0202929841150507,10.157179863412388,2.6658447356561936,6.675984546820614,0.4086566174132657,4.400530800641571,9.525353629259628,0.7266224643796959,10.213510515679138,0.5958190855735687,28.860918503370865,4.400530800641571,9.525353629259628,0.7266224643796959,10.213510515679138,0.5958190855735687,28.860918503370865,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0155,3.325058039453418,3.993372757926753,4.681850847761887,5.373681894787769,6.05575632589624,6.718656619832324,7.356219234779288,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_9,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1921338245648576,0.7910388461686739,2.0496589660362026,4.0556112620035245,6.044463198782812,7.356836541956381,8.041184141124056,8.35950620030101,8.478637648651477,3.3284022175238515,0.6149721947153537,0.0244294186049993,12.628662804117743,5.49733664215187,7.238962755334813,1.619712125762416,5.966286396493594,12.78285653644646,0.8354766345512011,11.375492291965712,0.9033572375199874,29.198192656517904,5.966286396493594,12.78285653644646,0.8354766345512011,11.375492291965712,0.885755519307041,29.198192656517904,27.0,57.68546,3.0,15.0,1.2399999999999998,93.0,0.0,0.0,0.0,0.0,-0.2900000000000002,0.0,RSM0155,1.949853200385327,2.4372977610378137,2.9830605870353257,3.5756934221643384,4.203609561446934,4.856016439090173,5.523351437880921,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_10,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412710116874725,0.4898221931347089,1.4267142649742084,3.246196653718413,5.176263909277601,6.485477252205188,7.176390217671159,7.499423242647309,7.620571446233265,2.5649059317402245,0.3860737295057076,0.0203013127773635,10.071141871607873,2.632185651508552,6.62435726436761,0.4012463166479856,4.474409923710696,9.685118523081682,0.7386728467514914,10.383792697722626,0.6061008283922132,29.33504965405092,4.474409923710696,9.685118523081682,0.7386728467514914,10.383792697722626,0.6061008283922132,29.33504965405092,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0155,3.3232734633640035,3.9909660239801696,4.678887304076744,5.370247091764031,6.051942916221628,6.714555242202253,7.351912990319792,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_11,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171211693381223,0.8969911475033793,2.1244818545015693,3.863203667460722,5.511372141728996,6.59142009960448,7.155214643962119,7.417809793585315,7.516154038336689,3.2483175133385385,0.7063125808059919,0.023378906906147,10.786823954770757,5.066931698603125,6.516137833566365,1.6239620823441283,1.2677510993345724,2.7499544224875176,0.2149494355337128,2.987346583604275,0.1611190475781732,10.63774420734712,-0.8817432560025555,-1.98011968013831,-0.2149494355337128,-2.601338740272258,0.0106544427045743,-10.63774420734712,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,9.181913277645036,10.013334801963742,10.80843607102142,11.565731698378126,12.284350101210109,12.963969913011937,13.604777116975338,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_12,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0995399706944572,0.7054632855415873,2.116260324551526,4.005945342242272,5.618464470825592,6.616837540958866,7.125526882892175,7.360091912010288,7.44758804079986,3.364245477114323,0.5095795162436583,0.0035880964223929,11.439892762983035,5.231852278279447,7.043761932493417,1.5888399211049486,0.5364819899164658,1.075528477041164,0.0054273192803759,0.5799005441594737,0.2285582618621223,2.7909563351898488,0.482208797112706,0.9560974940704648,-0.0054273192803759,0.4387902428696982,0.2247591383658592,-2.7909563351898488,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,7.406509901327278,8.242835123775166,9.0638547849128,9.865214387083718,10.642594110124136,11.392124156132304,12.110669570976835,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_13,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.099857225523391,0.7064660625367457,2.124890656049417,4.038937325073658,5.668001982980035,6.669237160838006,7.176742007993644,7.410139290403401,7.497098918234106,3.388411893891809,0.5103863812638175,0.0036059743216286,11.73578824507383,5.2920311062439245,7.314092795909825,1.5987373307476511,0.547045399562395,1.0965055088043258,0.0053399251094206,0.5897648004377601,0.233422843225102,2.842025500000388,0.4936461484681884,0.9789976800104676,-0.0053399251094206,0.4509267475928232,0.2296848956485075,-2.842025500000388,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,7.311339393589186,8.15326590745596,8.98073242667393,9.788651851933563,10.57231282083668,11.327661176707691,12.0514968082777,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_14,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1580856068211965,0.7787047309149672,1.897555033810452,3.632239560385808,5.417890089058402,6.626088912581736,7.263725243961127,7.56189990017916,7.673735599076638,2.995922670594171,0.602957174549862,0.0101202429344384,9.840188895362685,4.5199889410680605,5.83625372262977,1.2500887563443237,1.561042777359393,3.1539541166245497,0.039464654656934,1.8767600146148653,0.6206678084431785,8.594506979935645,1.1663962307900524,2.285513869278294,-0.039464654656934,0.8506789935345798,0.5930425501833245,-8.594506979935645,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,6.6461838393957695,7.470584052614226,8.28384862883633,9.080068554813511,9.854675221423086,10.604012240654832,11.325188498106044,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_15,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1570884591798676,0.8032792682116819,2.0428648659314246,3.8280820506454334,5.521561980304113,6.625097312070152,7.198890357073185,7.465617838034893,7.565425219132694,3.195078167988268,0.6147317984316953,0.0099113589637724,10.505530325901908,5.021305078990339,6.172622535869797,1.4276779697039923,1.7589751119354946,3.598109883921816,0.0873879685291727,2.458078860168877,0.6188914838190962,10.542634930260927,0.8850954266437671,1.675092194693734,-0.0873879685291727,0.185991678410385,0.5577199058486754,-10.542634930260927,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,6.719221757584442,7.519728339154449,8.314253425756116,9.095749445163554,9.858658507235836,10.598541832783104,11.311928205363174,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_16,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172003745301804,0.897495767968004,2.126148641600868,3.861274278614273,5.500271555130548,6.572484567301731,7.131835684164999,7.392300486157922,7.489838416132384,3.2485120444699938,0.7066454193983338,0.0233829797263644,10.758206972959568,5.065541928297383,6.493682617996782,1.6262694808820135,1.2682617635879134,2.749714189577388,0.2137286169540866,2.978090699220606,0.1636353280077091,10.6158811570213,-0.8690244059529523,-1.953495165378104,-0.2137286169540866,-2.5788533415856456,0.0140252961398486,-10.6158811570213,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,9.178429608849878,10.009626466347637,10.80453797873566,11.56168665467692,12.280202409150265,12.959761800278882,13.600546762914387,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_17,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0995803172605197,0.7055102885486677,2.1149781817262907,4.001084977267854,5.608262008463709,6.602129914168663,7.108192613100889,7.341475891207269,7.428482906241649,3.360872272240687,0.5096718692359021,0.0035903789177236,11.418495023533264,5.213954932514693,7.035831674566858,1.5876961200362838,0.5291530649106186,1.0610268743136655,0.0055387040951819,0.5734626976720745,0.2250880437067591,2.756539406456733,0.4737660239587989,0.9391448105730568,-0.0055387040951819,0.4294563911973431,0.2212109508401317,-2.756539406456733,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,7.429524346479464,8.263222705410886,9.081629868494495,9.88052755444735,10.655664689607368,11.403197731488923,12.11999254380096,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_18,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.099809509208037,0.7063449691193848,2.125159501709069,4.038960801063483,5.666660828127441,6.666667340202863,7.17347289566377,7.406535466208913,7.493368563464095,3.388690697905892,0.510255774741296,0.0036044128553531,11.729758847095962,5.295411673860739,7.312317109543114,1.598061816041609,0.5528124352619265,1.1078601041510985,0.0051974509330416,0.5943920427262599,0.2362563131921041,2.8680111949704656,0.5008379259315097,0.993487493695031,-0.0051974509330416,0.4592583184671762,0.232618097538975,-2.8680111949704656,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,7.278771590721329,8.124863061747963,8.956150804398353,9.767483540472776,10.554139885983211,11.312085872205293,12.038156525082623,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_19,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1579724255742438,0.7784587797757457,1.8954973255007608,3.626817307408243,5.411598118384386,6.620296410194036,7.258435446000593,7.556889809414278,7.668836942277555,2.9914496184588124,0.6027639808017987,0.0101009842679484,9.835923753172642,4.487017507260777,5.846962525919717,1.2466918613257727,1.5552838043865245,3.142641918567381,0.0396326546678658,1.872345041729452,0.617790065449755,8.569072115289938,1.158957257707866,2.270504743620566,-0.0396326546678658,0.841896020364939,0.5900472071822489,-8.569072115289938,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,6.660754783127255,7.483008814304732,8.294443463987625,9.089146074241237,9.862522324498006,10.61087763771541,11.33127876483319,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_20,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1571112542349199,0.8033201236483591,2.0448267033895844,3.831956962669333,5.523191426661826,6.623354248342217,7.194903714023773,7.460487103996186,7.559850802918799,3.1987446650354334,0.6147096673577933,0.0099243267385759,10.499815179208712,5.045452325382235,6.158552976083792,1.427879188765614,1.7730666210890866,3.629834798961606,0.0909005569224221,2.500271076468464,0.6185761021551022,10.683344243893874,0.8640610518648651,1.629520775594107,-0.0909005569224221,0.136856596485488,0.5549457123094066,-10.683344243893874,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,6.715696160230109,7.519430733768934,8.316250392377645,9.099347935232698,9.863342120690074,10.603927095874088,11.317732534939758,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_21,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172605490962393,0.8974684697282063,2.1261072323160675,3.8662408715536296,5.515093074792808,6.595323883158491,7.159147937892101,7.421743225210652,7.520085420825129,3.250942168179124,0.7066769450014829,0.0233988391816689,10.800551779126804,5.07404326312048,6.52232235342175,1.6262061439301465,1.2680358890585035,2.750481993246855,0.2149102510189315,2.987317897209956,0.1613192499705373,10.638384465671148,-0.8810666211308121,-1.978729833755264,-0.2149102510189315,-2.6003486292822644,0.0108820742572853,-10.638384465671148,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,9.178614376361097,10.009577899932014,10.804281445981808,11.56123722207404,12.279574023429022,12.95897036018956,13.599610405357163,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_22,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0996308650694044,0.7058253210607339,2.1171833463564225,4.007715512663433,5.621112265189682,6.62008183196234,7.129084882010116,7.363796129645612,7.4513470071145855,3.365706040276876,0.5098627781805686,0.0035948604589088,11.450918750372775,5.23659709401263,7.049320961102869,1.5901301026241144,0.5365483952449039,1.0756276512179592,0.0053950584002921,0.5797088624472413,0.2286483013834344,2.790643144230363,0.4825978112419822,0.956906585689162,-0.0053950584002921,0.4394373440396449,0.2248717605032299,-2.790643144230363,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,7.407204490685103,8.242990952403595,9.063443231769911,9.864245556922958,10.641105444053943,11.390170077777483,12.108313073292374,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_23,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0998250875581364,0.7063381538388521,2.1247369492193124,4.0389113236501535,5.668109318751547,6.669432593408738,7.176984747440501,7.410404500261098,7.497372623113033,3.388336022923054,0.5102817930493575,0.0036038640245284,11.734546085682728,5.29283950933547,7.313595499955284,1.5985259954902908,0.5482226495766602,1.0990107771427315,0.0054926101197069,0.592163530534316,0.2336604350871633,2.850965450277441,0.4932965483795906,0.9781430353013174,-0.0054926101197069,0.4493556674219349,0.2298156080033684,-2.850965450277441,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,7.307340037141919,8.149716207362369,8.977640635422878,9.786000701180908,10.570070273885344,11.325787863758809,12.049950948116708,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_24,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1581390672978651,0.778889637151941,1.898170753630816,3.633166854708077,5.41865014710126,6.626573669186733,7.264029208503584,7.5621125084715075,7.673912927072091,2.9968050393503955,0.603097379718377,0.0101270232976535,9.844987788342808,4.522262711858862,5.8388254254809295,1.2510836827560006,1.5607500821876443,3.1532738660857467,0.0393710436123982,1.8757184310868305,0.6207130798002551,8.591171283186185,1.1670396460636618,2.286893578452245,-0.0393710436123982,0.8520712971644758,0.5931533492715763,-8.591171283186185,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,6.644274479956694,7.468851657236127,8.282190671207694,9.078422027792708,9.853004392650083,10.602299889986764,11.323429605086355,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_25,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1571016723559237,0.8033013507433558,2.043093131064948,3.828484555778667,5.521698723125374,6.624922403973179,7.198528030373809,7.465164195452625,7.564936833132108,3.1954786910750594,0.6147495332630346,0.0099150313839117,10.50090133390483,5.024459066517927,6.168775208364506,1.4279776118379115,1.7610164068820815,3.602951717925672,0.0881355630502054,2.4661009112837244,0.6183981203433911,10.567793295414514,0.8796607763800272,1.6634828225131144,-0.0881355630502054,0.1745762719783836,0.5567032262082473,-10.567793295414514,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,6.723388486586683,7.5239738554691105,8.31853580050691,9.100019065198596,9.86286740340334,10.602648488287985,11.31589955220804,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_26,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172826182527596,0.8976252150670463,2.126402361610022,3.861488541512704,5.499961662857949,6.571564490989372,7.130518864864454,7.390781524398106,7.4882409891525,3.2487941556673863,0.7067636973781799,0.0234065395542591,10.758209296249523,5.066072461667832,6.49357685946056,1.626647066316082,1.2689023392842145,2.750907107017858,0.2136465472365781,2.97807471717684,0.1640742649128914,10.617442641152635,-0.8675631330815666,-1.950496261127607,-0.2136465472365781,-2.576735510974192,0.0145216818472869,-10.617442641152635,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,9.17979899334584,10.01071241131786,10.805411573142468,11.562397347501603,12.28078581026235,12.960244334223695,13.600948515337551,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_27,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0996007191802626,0.7055822021165327,2.115162436299858,4.001397740595408,5.608612009696735,6.602458410600142,7.108496918478737,7.3417661263318195,7.428767431697916,3.361148722780928,0.5097290013447098,0.0035921237146271,11.421161518826928,5.21461734609717,7.037408488264359,1.5879636815542135,0.5297387588073126,1.062187478101695,0.0055314540832106,0.5739903914729978,0.2253622712632341,2.7593228757007764,0.474424217975206,0.9404649546445212,-0.0055314540832106,0.4301725853095208,0.2214902534049866,-2.7593228757007764,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,7.432771186857202,8.265925705576606,9.083846480497526,9.88231300867526,10.657071885275087,11.404276533023149,12.120789058417218,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_28,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0998484365000898,0.7064729140624652,2.125415473269138,4.039534629308232,5.6677952908648805,6.668316187152487,7.175433972422163,7.408651712374549,7.495544474867485,3.38912405301813,0.5103635456206641,0.0036070918886043,11.734020614853687,5.297100974029759,7.315100615619221,1.5984636235840488,0.5526425615875002,1.1075382256352235,0.0052138514012401,0.5943533727974216,0.2361499685291123,2.867489835962305,0.5005040475750986,0.9928047143482052,-0.0052138514012401,0.4587932363651772,0.2325002725482442,-2.867489835962305,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,7.278640314689699,8.124337122507976,8.955312275528673,9.766396485598433,10.55285643602181,11.310649575743964,12.036604205580783,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_29,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1579665268728166,0.778444185537292,1.8955205049719803,3.626627768775963,5.410878614504802,6.619113328403359,7.256984201321392,7.555308585111365,7.667206278831796,2.991382318270769,0.6027478694040166,0.010100929774679,9.834969075250804,4.486330720432608,5.846516030197439,1.2468476875195114,1.5547468792790844,3.141200387352723,0.039273090137323,1.868931600377668,0.6182253172717119,8.55919619914188,1.162015977905854,2.2769756168740587,-0.039273090137323,0.84783125680727,0.5907341541755857,-8.55919619914188,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,6.657483172928854,7.480272133384584,8.292158131274222,9.087237406856993,9.86092554080447,10.609537795689848,11.330150030439606,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_30,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.157172772529946,0.8035972489606593,2.045889541313694,3.834521368319983,5.526944307786033,6.627684356867349,7.1994741734897305,7.465156091848395,7.564554570250369,3.2007844253124804,0.6149139514834695,0.0099310690004021,10.51587524838156,5.053154784717997,6.166954428092865,1.4293922921840696,1.7739930659181222,3.631849589939631,0.0910626656635961,2.502494391226892,0.6186844162143218,10.691218642862536,0.8633664092821611,1.6279682794260533,-0.0910626656635961,0.1348650839733918,0.5549405502498045,-10.691218642862536,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0155,6.721062261281739,7.523354364313164,8.319052627644078,9.101268371200277,9.864564363686256,10.60459468487442,11.317959317137143,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_31,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0649806038993244,0.3884836397373251,1.335210170076634,3.1076468989848105,4.942586476501486,6.165242713117439,6.80429837654024,7.101750326475644,7.213094965925499,2.449407832390846,0.2817745805737897,0.0040328274946214,9.572354641721056,2.8024116453429824,6.057521617589267,0.4884911190071244,3.81208184774594,8.042455250143096,0.3183926498653772,1.86659997679014,0.5572803533173171,12.770736940899354,2.1780822454258173,4.744748039550656,0.2806237594517985,-1.86659997679014,-0.5572803533173171,11.448825776424105,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0155,13.743417351731331,14.617896888759,15.40616355552764,16.117266483267272,16.75939326083638,17.33986979993788,17.865221805371828,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_32,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0740197180048803,0.3903717215212329,1.3820602768305972,3.314470205424708,5.316918193173538,6.650987960548438,7.348611741158884,7.673441628428074,7.795056074667939,2.595636180611593,0.2865812039072992,0.0055246874822562,10.647732040471814,3.2361793931924137,6.5685745896400345,0.5835963138561213,3.513367028584938,7.437378988321209,0.3573261483735103,3.871696102217072,0.5917613325083477,14.066442984226365,-0.1796602107770055,-0.3209150443466148,-0.023955466592717,-3.871696102217072,-0.5917613325083477,0.7215864604084009,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0155,14.79799008234128,15.546814160254318,16.212979378003606,16.809585167590335,17.347028058121577,17.833575328461823,18.27585000513476,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_33,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637703986989433,0.3911728840461382,1.3878230224854475,3.184038442675645,4.971868059289816,6.142225915314399,6.74975258000925,7.031761171423246,7.137212901304086,2.5278321122885674,0.2811379578404406,0.0039059053205326,10.33108935087195,3.030224758318845,6.399264566286942,0.4562910690274538,3.2638646120152184,6.879733757728261,0.2699483686273667,1.713584133027663,0.4986092248576767,11.125508660867007,1.682625291993434,3.679538240359008,0.2247006217734985,-1.713584133027663,-0.4986092248576767,9.541837520981623,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0155,13.772866400545158,14.660727966460035,15.458775140097307,16.176711416252957,16.823306817384506,17.406386614394183,17.932894852624678,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_34,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1064786154716958,0.5584875372514724,1.5585808107857133,3.2097564624864683,4.904345395400768,6.051223065175454,6.657357215076331,6.941058238852752,7.047510434923756,2.604345386732535,0.4226325688596431,0.0066516766958585,9.86074844368874,3.0161361707798773,6.321559089338885,0.5319754840021107,3.062453518714704,6.470562955935553,0.3520419597160876,5.878789196443405,0.7027131413603788,15.312267593573518,-3.062453518714704,-6.470562955935553,-0.3520419597160876,-5.878789196443405,-0.7027131413603788,-9.330669586552617,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0155,15.388613331401327,16.036253099947533,16.623934755193684,17.1590213985015,17.647637292954947,18.09489242621788,18.505090072310622,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_35,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0649468343502309,0.3882866142918234,1.3365234333018907,3.111816758188648,4.949245609667234,6.173500750585873,6.8133835076638585,7.111218447176334,7.222706102212376,2.452608096968006,0.2815773829217896,0.0040312111840475,9.579673105350103,2.7991428215977585,6.06862044816403,0.4861390136275109,3.812403014918543,8.044970252890419,0.3206279933242065,1.9021269793475777,0.5553223229746672,12.796595099562252,2.1546636279676137,4.692926909678658,0.2760786709644091,-1.9021269793475777,-0.5553223229746672,11.237368816969344,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0155,13.853836930477671,14.718521100234724,15.498182742957535,16.201673781234593,16.83702843503754,17.411451271909545,17.9313703459864,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_36,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0739147274748641,0.3916699106682813,1.394009482611677,3.3468509908141586,5.366046546538717,6.709057358058931,7.410761837935709,7.737365863586238,7.859624918917139,2.6208879182446934,0.2871281983639186,0.0055057556172491,10.742217426727052,3.282791020773087,6.620509660397803,0.6001502516203943,3.6740474692908167,7.776720462251549,0.3732925706319476,4.062377941827226,0.621534336068865,14.733023216927243,-0.2100340125985868,-0.3820909362506459,-0.0268912249627246,-4.062377941827226,-0.621534336068865,0.7265903711137136,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0155,14.792250945807917,15.53687724013857,16.20125433659487,16.797468944105365,17.33530497243692,17.82265938214453,18.26593255956136,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_37,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637110230680449,0.3913617956427788,1.3884063964494966,3.184243735001314,4.969461443398533,6.136998910255164,6.742776985039426,7.0239158521969225,7.129033500181093,2.5284138618104377,0.2812315702926635,0.0038953193628356,10.35478872921188,3.043314611518197,6.402196368721208,0.4585671102788455,3.207566039872206,6.7584474331129565,0.2632941272718083,1.69049735537079,0.4964641803189347,10.965039815614794,1.6236628970289706,3.554776978489985,0.2198287664183094,-1.69049735537079,-0.4964641803189347,9.443752185742332,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0155,13.82267104731808,14.702800862958426,15.49455038100713,16.207368774276155,16.849796818543496,17.429467351742133,17.953168684661083,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_38,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1058866014928017,0.5557060535551709,1.5487456363045198,3.1872902771649607,4.867214346104456,6.003181010344064,6.6032923071013645,6.884122286768061,6.989489273398137,2.586651682928806,0.420570080958196,0.0066247354593359,9.808055652835376,2.9843458108853445,6.28330007787033,0.5151766955766592,2.896413480082124,6.110946242277184,0.3244236411629368,5.491802609385619,0.6806096714560385,14.48206740041062,-2.896413480082124,-6.110946242277184,-0.3244236411629368,-5.491802609385619,-0.6806096714560385,-8.227587480994961,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0155,14.943162726362235,15.64653364497906,16.280258617148938,16.85378095053085,17.374785376705727,17.84957087872585,18.283357676825364,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_39,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0649979769138868,0.3887318277772973,1.3363989637518636,3.1099642020488263,4.945603224921138,6.168615383816661,6.807838239880612,7.105364887541126,7.2167370558022785,2.4513840830665945,0.281927300094178,0.0040335443122835,9.578482335087386,2.805669586268267,6.061480827483304,0.4896267464343538,3.812594343643997,8.043743193248485,0.318620348775104,1.867682202512649,0.5569304205875087,12.771546814354927,2.1792388981322435,4.747023227971253,0.2805629754025199,-1.867682202512649,-0.5569304205875087,11.439538746314488,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0155,13.735607636590672,14.611794416526314,15.40130436017554,16.113327003648198,16.756145291350624,17.337150249967866,17.862912475227724,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_40,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0740565192232838,0.39048469940699,1.3822940054136674,3.3144895166506108,5.316538375374961,6.650309202686761,7.347771560792717,7.672525491950149,7.794111394490632,2.595768348344291,0.2866676138459576,0.0055302903201671,10.64629694672653,3.2358573914057747,6.568123739651633,0.5837950073149664,3.5127290615915183,7.43595464154784,0.3571660533739768,3.8692521700369182,0.5917142405607522,14.062517861992616,-0.178321970196299,-0.3179958235464645,-0.0237253442344548,-3.8692521700369182,-0.5917142405607522,0.7313189456975083,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0155,14.76534375622518,15.517753754293857,16.186964281048756,16.786170186317072,17.325846461674093,17.81432416982056,18.2582779091954,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_41,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637504330644576,0.3912460155631118,1.388385311911488,3.1852874649943645,4.973333968338685,6.143589452439461,6.750993734972539,7.032930400600232,7.1383528460826575,2.5288813763018374,0.2811657636332896,0.0039026449302551,10.337395122318457,3.033764239565124,6.400526649382847,0.4567069980522886,3.2655503962938486,6.883353135582298,0.2701015774894826,1.7124938387996906,0.4985892544838406,11.128335133095216,1.6862751735861763,3.687308908440588,0.2250809794985198,-1.7124938387996906,-0.4985892544838406,9.55261420341152,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0155,13.774952345522026,14.662386345900767,15.460104395705518,16.17779364263691,16.82420669422109,17.407153168443976,17.933564226199316,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_42,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1065771285444167,0.5583804825101322,1.55574701997863,3.2024798860310644,4.893435153390657,6.038136618727229,6.64317759402148,6.926377433492003,7.032643104321373,2.5985644358144,0.4226971812341658,0.0066627979547938,9.8381339396447,3.003155967641253,6.309268831606459,0.5270885685059293,3.0343941000446355,6.410287002020033,0.3478561106061186,5.817242984893586,0.6980751671333904,15.171970500223178,-3.0343941000446355,-6.410287002020033,-0.3478561106061186,-5.817242984893586,-0.6980751671333904,-9.177957242205128,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0155,15.422595753526087,16.063964453262624,16.646874988889753,17.178248311857327,17.66391891304079,18.108800715439354,18.517060447868413,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_43,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0649353317572605,0.3882836357250376,1.3367803370011375,3.11250269236993,4.950195118275516,6.174565028755387,6.81449423143773,7.11234813072975,7.223842480813357,2.4531598405225523,0.2815634537172618,0.0040296185697211,9.580808880307586,2.799867765510386,6.069453273629704,0.4864222289216259,3.817270042309573,8.055357698859163,0.3211303063911571,1.9044485727944551,0.5557542645865855,12.811740722645736,2.1585485185495936,4.701222183006896,0.2764515496947593,-1.9044485727944551,-0.5557542645865855,11.247984238271815,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0155,13.894098057647623,14.753722209581962,15.529122147168064,16.22900812763219,16.861299187098954,17.43310625632021,17.950781216225046,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_44,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0739311684736223,0.3917971460240235,1.3941854924161232,3.346598972775382,5.36532717187666,6.708075769094338,7.409660060582133,7.736211963005062,7.858452116424634,2.6208137099642066,0.2872176168855491,0.0055075823421597,10.739481975058291,3.2821653989047643,6.61927184106823,0.6002848948923695,3.672954162107792,7.774299142670029,0.3731238968432766,4.062632418951404,0.6216895367965765,14.731332725475315,-0.2125369382376588,-0.3873464948744577,-0.0270821744562633,-4.062632418951404,-0.6216895367965765,0.7241202299914178,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0155,14.765678343612327,15.512877622147933,16.179444737764047,16.77754882212739,17.31703333849328,17.80583922647131,18.25040007852167,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_45,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.063740587012173,0.3914944503024425,1.3890732037674929,3.18625892823783,4.972652818737957,6.140797505496082,6.746839895390044,7.02809006076698,7.133247511412135,2.5299361391573325,0.281329774745078,0.0038985197330066,10.370552302815012,3.048256541753786,6.41046280381376,0.4588947926900673,3.2087330504973712,6.760890994512451,0.2633911765316989,1.6917934271899868,0.4967234211833702,10.96996860270149,1.6233589969172637,3.554175899103569,0.2198180282097645,-1.6917934271899868,-0.4967234211833702,9.444908411433785,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0155,13.83645004605271,14.71455638768215,15.504739399565464,16.216310016381886,16.85771975748087,17.436542634306516,17.959527130406904,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_46,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1060826638105491,0.5562829953440016,1.549563151926336,3.1880913906486725,4.8675883832724205,6.003092000774763,6.602914589114051,6.883600374286768,6.988911859863055,2.5875103737655203,0.4210745684720366,0.0066399537406194,9.818598997426216,2.9879241373769028,6.288409097385178,0.5150970929909953,2.891648736284679,6.100888603082171,0.3238852638411081,5.482730847013544,0.6794988179446045,14.458243681423395,-2.891648736284679,-6.100888603082171,-0.3238852638411081,-5.482730847013544,-0.6794988179446045,-8.213724787454172,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0155,15.048467084108829,15.738718197693403,16.36168394664088,16.92626189504799,17.43974109256347,17.908128118040135,18.33642344358096,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_47,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3028454293123611,0.9557606351538628,2.2647052733391857,4.483618096660454,6.635900627077791,8.015267731578017,8.722983765286374,9.049711671890815,9.171605139894124,3.6793682247538286,0.7789221137802678,0.0464895497047083,14.030231657523515,7.101333011776634,7.4598405095625555,1.4888168996995732,10.38792839620086,22.198734647405573,1.184739503760926,9.392085076916375,1.1374079386001048,37.27637889188365,3.577084069628333,7.612377463400005,0.2117617428219934,-9.392085076916375,-1.1374079386001048,3.222157259021013,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0155,15.063087223456757,16.01413984077654,16.814623292704418,17.493950896901982,18.07572897385193,18.57860433592056,19.01721304752009,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0155_48,RSM0155.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.3026200070253475,0.955525678233222,2.2646904742296217,4.483843663194889,6.636347101092701,8.015871603330822,8.723674360176293,9.050443712399336,9.172352871522715,3.679513649805572,0.7786623525960586,0.0464196314605272,14.035872763435307,7.100281306853534,7.462105045478994,1.4870189153589126,10.385697841825865,22.193950658954904,1.1843779143878976,9.38545895137614,1.1369119773318177,37.26312212135525,3.5813184322446765,7.621438981303478,0.2123237130191565,-9.38545895137614,-1.1369119773318177,3.2412250734493155,20.0,42.694,2.0,0.0,0.0,58.0,-7.0,-14.99146,-1.0,-15.0,-1.53,-35.0,RSM0155,15.06310701593318,16.013902823856483,16.814223203664717,17.493461242904182,18.075206955307184,18.57809385721121,19.016746991421986,"[Ni][OH2][Ni][OH2][Ni].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]scu,pcu.cat0","linker [O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-], nodes [Ni][OH2][Ni][OH2][Ni], topology scu,pcu"
RSM0402_0,RSM0402.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,23.0,50.9415,4.0,5.0,1.63,153.0,0.0231479314335422,0.3695590513778696,1.380466722085275,2.998790874705195,4.725470852489054,5.938464891442928,6.591987916799793,6.900536552982196,7.016729591689216,2.401602398062718,0.2403607892302684,0.0001760213101071,6.578890750260438,2.9711646892467365,3.615620812942408,0.6137713455745172,14.990222164795828,34.87602091368444,1.984168095610148,10.821933094245372,1.7578428184792474,86.1746235041142,-14.912090288535405,-34.71991938247168,-1.984168095610148,10.784910411075437,1.7578428184792474,-86.1746235041142,4.0,7.991695,0.0,11.0,1.81,0.0,-22.0,-49.93356,-3.0,-4.0,0.0,-122.0,RSM0402,16.446222884619445,17.15642727105789,17.783060374440698,18.335328435386035,18.82184604543965,19.25059285526812,19.628828618680927,[Co].[O].[V].n1ccc(cc1)C=Cc1ccncc1.cat0,"linker n1ccc(cc1)C=Cc1ccncc1, nodes [Co], [O], [V], topology "
RSM0402_1,RSM0402.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,23.0,50.9415,4.0,5.0,1.63,153.0,0.0157145666071258,0.258230166708259,1.0517135251137806,2.5043058182081235,4.125629296632281,5.27280877220175,5.891069051262718,6.182859897584941,6.292716146441984,1.9542991546988369,0.1661154457045746,0.0001304739496372,5.42068656723874,2.021557050426716,3.18773025180557,0.4040366022897941,15.566546429206085,36.040012948271375,2.063581162546788,9.578254792920651,1.52167782694746,87.89431949712112,-15.566546429206085,-36.040012948271375,-2.063581162546788,8.543329321547422,1.52167782694746,-87.89431949712112,0.0,0.0,0.0,11.0,1.81,0.0,-22.0,-49.93356,-3.0,-4.0,0.0,-122.0,RSM0402,18.911197968103203,19.39179593985416,19.809582909649404,20.173709866319964,20.49179548232275,20.77031397502068,21.01480389867976,[Co].[O].[V].n1ccc(cc1)C=Cc1ccncc1.cat0,"linker n1ccc(cc1)C=Cc1ccncc1, nodes [Co], [O], [V], topology "
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RSM0676_74,RSM0676.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0702813824627037,0.3524697881099956,1.2208857227239245,2.9568923303531744,4.741802971056168,5.918175036216881,6.5297836645133005,6.813821288199551,6.920049104269221,2.310908836767698,0.2626751264779229,0.0050981822266446,8.082776986123145,2.4550283592276063,4.906556810543716,0.3558602349444789,6.374091719603877,14.77900281778053,0.5315293516567442,3.879503237381444,0.64718903379602,17.83271335420561,2.549126187316506,6.727824037263435,0.1213890317764546,-3.879503237381444,-0.64718903379602,3.477802158395473,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0676,14.953555698039317,15.741300540739015,16.43444304822479,17.050543578049727,17.602564946883913,18.100279463786592,18.55122483915733,[In].[O]OC(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O]OC(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology "
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RSM0676_76,RSM0676.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0843400793201785,0.3618156003225397,1.0531986829910536,2.413700672557918,3.914870536472477,4.956059609995578,5.51110394420439,5.771747531191074,5.869671696219916,1.8969124894325744,0.2799417438838051,0.0073549626709781,6.752878366873501,1.5359018019651047,4.34780026062294,0.0919707553140732,4.629704474917211,10.172871538959464,0.5129773241569325,6.908975526282836,0.7758530882356426,19.35228636000881,-2.216593209837105,-4.356767225314467,-0.3364082071998516,-6.908975526282836,-0.7758530882356426,-10.376207237478631,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0676,15.831702240945813,16.46932538592711,17.031593451571187,17.532474471721997,17.98276828764055,18.39082250363143,18.76309450303508,[In].[O]OC(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O]OC(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology "
RSM0676_77,RSM0676.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0747702821948313,0.4902025618920379,1.4681533117536425,3.019925720913313,4.586335338759805,5.644899083787452,6.204736254286286,6.466901222107297,6.565296220433575,2.4565489165123235,0.3586858794485888,0.0030048319980458,7.356669193728925,2.8184133139159995,4.39693654860997,0.6093148037884163,2.7043074188871725,5.737111074325925,0.3334357314364476,5.371793270378754,0.5782248049614522,13.521537094435862,-2.7043074188871725,-5.737111074325925,-0.3334357314364476,-5.371793270378754,-0.5782248049614522,-9.818964106115477,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0676,12.484935298047128,13.462059894677587,14.367285437230356,15.200002371478345,15.961462363461964,16.654596028836682,17.283520812403943,[In].[O]OC(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O]OC(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology "
RSM0676_78,RSM0676.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0307135527968028,0.2631324385668491,1.1158632298073718,2.8016562857283103,4.585303695297071,5.79447021644843,6.432630613717858,6.73103120269751,6.842947819724957,2.171088181666729,0.1791101083704865,0.0009695384540586,7.02806027188762,2.1540581509688552,4.342127000706936,0.3822865551725197,10.325863937260904,24.72281555366154,0.7828332704153305,1.8303022747149635,0.5183232479310718,20.92268437119085,9.193082542113675,22.32193967967321,0.6453823256364679,-1.8303022747149635,-0.5183232479310718,16.111901303930654,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0676,14.999318941772282,16.061232792804752,16.979117592174592,17.77340146587623,18.462153447487267,19.06101155896466,19.583333475032447,[In].[O]OC(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O]OC(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology "
RSM0676_79,RSM0676.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0314788163613995,0.2652819733125553,1.152526952229062,2.863922400862177,4.602510809304969,5.757277941164338,6.361805616756784,6.64357662147199,6.749124801998616,2.23362720034123,0.1803045942181898,0.0010246268811143,7.105321189805015,2.384456769187649,4.220937847959045,0.4093702030686795,8.66947464552258,20.74154549998831,0.6543095712723074,1.5682067167249671,0.450444485496525,17.68106612490463,7.64554227247803,18.58106744667353,0.5394721544350546,-1.5682067167249671,-0.450444485496525,13.661756535600786,41.0,98.8186,3.0,0.0,0.0,76.0,-7.0,-14.99146,-1.0,-15.0,-1.66,-35.0,RSM0676,15.922037978531469,16.88067389795074,17.704452264549484,18.41501889517552,19.03025104224942,19.564957594046355,20.03144006726604,[In].[O]OC(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].cat0,"linker [O]OC(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], nodes [In], topology "
RSM0228_0,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0042103244230728,0.1931998932889788,1.1995302688783254,3.099106418728242,4.967650862831045,6.180173388412781,6.807054146455676,7.097547045174336,7.206096049091577,2.407174747582089,0.1063429875406252,4.719358581906869e-06,8.45433867753765,2.8908326755874034,4.979422910846718,0.4107240123997359,22.122337242944937,49.59042245716901,1.987588939563583,3.716318971381642,1.6636998869626485,54.35819576905271,-22.122337242944937,-49.59042245716901,-1.987588939563583,3.716318971381642,1.6636998869626485,-54.35819576905271,0.0,0.0,0.0,4.0,1.79,0.0,-24.0,-53.3693,-2.0,0.0,0.0,-56.0,RSM0228,21.09612334652875,21.429657918493973,21.69347702767975,21.905401424605284,22.07799017604013,22.22027383816081,22.33886519400912,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_1,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0041974191296527,0.1934533541967025,1.2027565177338593,3.1074372262535377,4.979846772410718,6.194468649282706,6.82234653036131,7.113284917140419,7.221997949449614,2.4138047650615326,0.1064171390545211,4.666313773347932e-06,8.483264256555321,2.904626437171636,4.993828210363855,0.4126969340848376,22.10594311734216,49.55665048509957,1.9871978888002484,3.727629437061076,1.6687310889361795,54.40770918370985,-22.10594311734216,-49.55665048509957,-1.9871978888002484,3.727629437061076,1.6687310889361795,-54.40770918370985,0.0,0.0,0.0,4.0,1.79,0.0,-24.0,-53.3693,-2.0,0.0,0.0,-56.0,RSM0228,21.27784414787548,21.58264499732547,21.823895014950505,22.01780494293808,22.175807167877924,22.30612787728769,22.41479491248849,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_2,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0041904597625068,0.1930800023969649,1.1998417977013978,3.099986727028642,4.968709989551673,6.181249833092509,6.808125129116044,7.098613682629139,7.207160866386904,2.407906808679845,0.106224916285475,4.656145533050909e-06,8.453279984312411,2.892936592086919,4.977064271905999,0.4104952386458571,22.110227089705763,49.565849626709394,1.987436004415962,3.72644096770174,1.668203410649354,54.406052917996014,-22.110227089705763,-49.565849626709394,-1.987436004415962,3.72644096770174,1.668203410649354,-54.406052917996014,0.0,0.0,0.0,4.0,1.79,0.0,-24.0,-53.3693,-2.0,0.0,0.0,-56.0,RSM0228,21.00644214020756,21.354130218852934,21.629080735798844,21.849896029345413,22.02968623679628,22.177877007509203,22.30136914226779,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_3,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0042115499033826,0.1932172569640622,1.1995473645351016,3.099081638492116,4.967589255696988,6.1800923932769365,6.806964359801135,7.097453441280205,7.206001058370422,2.407165558717616,0.1063555567278738,4.722938572746936e-06,8.45408596551222,2.8908135484889046,4.979218133566382,0.41075024011352,22.122618510766724,49.59103582740315,1.9876079857783195,3.7162853043514255,1.663685000365276,54.35837026576687,-22.122618510766724,-49.59103582740315,-1.9876079857783195,3.7162853043514255,1.663685000365276,-54.35837026576687,0.0,0.0,0.0,4.0,1.79,0.0,-24.0,-53.3693,-2.0,0.0,0.0,-56.0,RSM0228,21.09489087415881,21.42862144074586,21.69259429926832,21.90464126033823,22.07732913383796,22.21969400055802,22.33835265667621,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_4,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0041972425583262,0.1934489260609171,1.202723430055599,3.1073701172378567,4.979771853450935,6.194396687375508,6.822277695071089,7.113217816766831,7.221931538450686,2.413746277679768,0.106414724542809,4.66557992153142e-06,8.48302277854852,2.904496596022414,4.993668838076365,0.4126735785138005,22.10617056031266,49.55713928271376,1.9872106762172648,3.727568230511785,1.6687039159588306,54.40763332446969,-22.10617056031266,-49.55713928271376,-1.9872106762172648,3.727568230511785,1.6687039159588306,-54.40763332446969,0.0,0.0,0.0,4.0,1.79,0.0,-24.0,-53.3693,-2.0,0.0,0.0,-56.0,RSM0228,21.28023064940692,21.584661284622907,21.82561852011342,22.01929353515444,22.1771047781318,22.3072683526035,22.41580469200061,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_5,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0041918876272273,0.1931076566395726,1.1998963948375942,3.10001258007874,4.968693129379229,6.181204139805022,6.808064472642041,7.098546090972708,7.207090683462906,2.407946573178476,0.1062435558211458,4.659211808806916e-06,8.453186692920172,2.8930472087147585,4.976913479242594,0.4105509139017897,22.11035602579905,49.566146431513786,1.9874504137991496,3.726499353589906,1.668229464416504,54.40660421633423,-22.11035602579905,-49.566146431513786,-1.9874504137991496,3.726499353589906,1.668229464416504,-54.40660421633423,0.0,0.0,0.0,4.0,1.79,0.0,-24.0,-53.3693,-2.0,0.0,0.0,-56.0,RSM0228,21.007057911708348,21.3546492597988,21.629523484358376,21.850277725048663,22.030018419432096,22.178168544952047,22.30162694383373,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_6,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418863519314014,0.4997913970231775,1.4246019262581524,3.008192790942936,4.525732146206762,5.499223104711496,5.999790277372956,6.23117618868635,6.317548867948646,2.438508858231581,0.3920380044415565,0.0204360840259855,8.774684494859493,2.4513233340080443,5.644261248896711,0.3561774294384472,6.355920187247779,13.682891230623252,0.9766751100238066,14.169321067438233,0.9971186520306244,36.58765676542755,6.355920187247779,13.682891230623252,0.9766751100238066,14.169321067438233,0.9971186520306244,36.58765676542755,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0228,3.345870823958622,4.040656280737186,4.751459992848159,5.461160727196176,6.15687384767073,6.829667081278841,7.473953386115895,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_7,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419173456137417,0.4999850508104327,1.4250452112393972,3.0085786451052607,4.5257014880734125,5.498735301493299,5.999011397437736,6.230250340422006,6.31656618508886,2.4389593257304707,0.3921718958156307,0.0204438105914451,8.78285178853745,2.4544023186124595,5.646609614503051,0.3548017149972445,6.374362514410491,13.721380119733936,0.9783321588727318,14.201019785392344,1.0022185210262953,36.61143854903879,6.374362514410491,13.721380119733936,0.9783321588727318,14.201019785392344,1.0022185210262953,36.61143854903879,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0228,3.3425166416531127,4.037079184237743,4.747801503338764,5.457523293722314,6.1533269825747166,6.826254888347952,7.470701414410099,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_8,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418467211293086,0.4996026159679835,1.423590626555219,3.005998159433424,4.522603537820161,5.495544172420802,5.995837701830983,6.227098847263317,6.313425208600543,2.4367052107005205,0.391920345735689,0.0204249073978826,8.76781585016103,2.4473346589096248,5.639845349812364,0.354374542083369,6.3617034529511285,13.694971092333189,0.977204693397839,14.17934100013384,0.9986992364423046,36.59581127309307,6.3617034529511285,13.694971092333189,0.977204693397839,14.17934100013384,0.9986992364423046,36.59581127309307,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0228,3.347026124315088,4.041891987113172,4.75277986259085,5.462552761778276,6.158319942785997,6.831148152386672,7.4754518574452895,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_9,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418548162055199,0.4997594663731604,1.4245985374611512,3.0081919136681265,4.525719785727041,5.499202333298605,5.999765249181406,6.231149228538532,6.317521193314744,2.4385102315905813,0.392001821202602,0.0204269345119347,8.774745099943608,2.451313526237477,5.644306346366897,0.3561679551900275,6.356010058232344,13.68307708250129,0.9766815286618152,14.169462287526864,0.9971466096724892,36.58765671516535,6.356010058232344,13.68307708250129,0.9766815286618152,14.169462287526864,0.9971466096724892,36.58765671516535,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0228,3.345914913222601,4.040700276012364,4.751503316267389,5.461202952430252,6.156914680708825,6.829706334889544,7.47399095520915,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_10,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418993584274003,0.4999650076377193,1.4250570901376638,3.00863880796498,4.525798898079941,5.498853282392672,5.9991391016091535,6.230382356635492,6.316699782206928,2.439003456690322,0.3921496651955281,0.0204386404446252,8.782912393014119,2.454485554114564,5.646650453535498,0.3548691712665066,6.374177376993448,13.720998142814938,0.9783197941902158,14.200735730515175,1.00215931865543,36.61149870834786,6.374177376993448,13.720998142814938,0.9783197941902158,14.200735730515175,1.00215931865543,36.61149870834786,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0228,3.342484028878549,4.037046454743415,4.747768928835595,5.457491105877204,6.153295375863086,6.826224021520854,7.47067141221119,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_11,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418316540618216,0.499577238063653,1.4235665696619402,3.005966264135094,4.52255628212167,5.495485954458889,5.995773712345636,6.227032168325536,6.313357522581088,2.4366777254394307,0.3918964131040082,0.0204206683193143,8.767713154621031,2.447295708257971,5.639782212289238,0.3543518940460102,6.361798125647766,13.695164270807393,0.9772089300023952,14.17946956566693,0.9987334221587646,36.59563447192884,6.361798125647766,13.695164270807393,0.9772089300023952,14.17946956566693,0.9987334221587646,36.59563447192884,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0228,3.3470121628741176,4.0418783448413365,4.7527666340669255,5.462540023085218,6.158307745345242,6.83113652431997,7.475440807828044,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_12,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1537278434057056,0.7738004247064765,1.8735316044743,3.4661397483784064,5.025552286604268,6.056724228996347,6.5957326231131885,6.8467803249505605,6.940789336204866,2.8943219863354024,0.5975876297687419,0.0093109404388628,8.54363451098213,4.076113248172582,5.022641167478406,1.2237990113891772,1.675055482244696,3.4243392180021264,0.0811750778240925,2.324456104837436,0.5931964186787162,9.998778967705327,0.8633047040037706,1.638039419442502,-0.0811750778240925,0.2139040814110304,0.5363738642018515,-9.998778967705327,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0228,6.640319598255165,7.42953583944161,8.216946914397816,8.996004935039643,9.760935480314435,10.506673297670272,11.22894321905246,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_13,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0974033007074891,0.6982547612878061,2.084667209568151,3.923693133731992,5.475293333327943,6.422593961686381,6.900674267164726,7.120043421107898,7.201695022954589,3.300904724094406,0.5040530412673212,0.0033809278653181,10.964348014098954,5.010255343956976,6.737818664622803,1.5480340881189336,1.2847215812483035,2.781121996665069,0.1256146169099586,1.3026020159694904,0.1795465890975426,5.974790742765244,0.5480683071794976,1.1600781611064102,-0.0217160379038025,-0.7165950756155611,0.0812264993599559,-3.585123425623656,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,7.749129772124147,8.551444881476792,9.344514219015489,10.123210234522292,10.88229805774344,11.617042348314284,12.323566065453956,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_14,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1182098052380792,0.7332327199788157,2.001037382461168,3.765817675794116,5.353076843847715,6.351189904782482,6.860782561123122,7.095691016203025,7.183284436796465,3.1517719965400697,0.5454104909143926,0.0049335713709047,10.448732653375904,4.651051898140963,6.482256352622223,1.4107697352092277,2.430839355917537,5.258593061200138,0.1944473402935674,1.6666989194289414,0.3490319469700249,9.083986108947627,1.70727077342246,3.66634276985343,0.049733623794552,-0.4587603591463782,0.1885007123557158,-3.4678239349208804,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,7.33131326607435,8.195394192671039,9.040257259930248,9.861846343954946,10.656382315642333,11.420522114482075,12.151569444438008,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_15,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170804307763223,0.9001249727313407,2.1284466571339986,3.786898246271564,5.271221951864366,6.207100385481963,6.686053153943108,6.907112317145542,6.989586462808015,3.212277046510083,0.7077753614956479,0.0234840430841542,9.89927725942898,5.005575995913176,5.819045005830546,1.6422566202965871,4.306549719123782,9.499237320461564,0.4799526323760421,3.558706464650661,0.2885452864025516,17.36940830269538,1.921478297195708,4.250763632794895,0.002938347990427,-3.1253702127288023,-0.0957106542973244,-6.262915754266588,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,9.20932630657105,10.036215826600223,10.829144753344345,11.58571278471512,12.30453001513614,12.984982816368188,13.627086666057291,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_16,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1537910605858637,0.7740854548290719,1.8748273462167644,3.4691394523983377,5.029972348187516,6.061994395173284,6.601428621925566,6.85267118645469,6.946752653447959,2.896740711912437,0.5977906052340795,0.0093168702519226,8.558013431650622,4.082254148263076,5.02914226772924,1.2256084990497398,1.6744256114961549,3.423251413705816,0.0813383918860732,2.32513274658474,0.5926099123294014,9.998895895202237,0.8610416926354224,1.6333578042889938,-0.0813383918860732,0.2103345575468365,0.5356730380091503,-9.998895895202237,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0228,6.649763511932442,7.437171508197318,8.223108460111936,9.000969286479853,9.764929516611137,10.509881548879903,11.231515110809903,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_17,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0974572039644338,0.6984365124372357,2.085046108102349,3.925285783653849,5.478947259920501,6.427897450932329,6.906904329615851,7.126717681016731,7.208537529387025,3.301931008917898,0.5042104436940803,0.0033842324659649,10.978522268281266,5.01324323770317,6.746555282373192,1.548393265011419,1.237752777251382,2.676754283925061,0.1220315109786725,1.3042431742211973,0.1776260871107176,5.900109033251666,0.4962596100223219,1.0450600117928188,-0.0262671224671394,-0.7194034490858916,0.0826275905744935,-3.697528097486404,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,7.748077789021818,8.549463838191237,9.341767416444078,10.11987104449348,10.878524183940083,11.61296732247405,12.319298490148954,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_18,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1181835623147333,0.7331758342299945,2.0014138897116824,3.767368343735656,5.355414907717594,6.353812157326546,6.863491416908351,7.098427540068956,7.186029386227991,3.152921001233319,0.545351985599997,0.004931054929803,10.457868941354874,4.655516631725231,6.485187201975206,1.4110918087258686,2.425477313405856,5.245979653534808,0.1958579204428397,1.7098606132964682,0.3499102566925919,9.197104784929756,1.668203405636461,3.579559041245051,0.0444031388889608,-0.4993126062357581,0.1887836064494241,-3.6711004202983433,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,7.334662986762234,8.19897622516642,9.043867000904708,9.86537906112285,10.659786473710314,11.423774454298302,12.154661761048782,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_19,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171406081733122,0.900352286815216,2.1294489486029007,3.78916150662285,5.274506155036632,6.2109983450495365,6.6902640936498585,6.911468308511513,6.993996725140347,3.214115982833861,0.7079387717133375,0.0234943615867154,9.910397854527211,5.011994568839024,5.822794331871171,1.6437318086256592,4.332963268425756,9.557166052776724,0.4827870019477031,3.582093504915099,0.2909064561152427,17.481059043805995,1.933075237944662,4.276087647525492,0.0028093958514844,-3.14321177213493,-0.0956040850280679,-6.3123418944246845,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,9.201896447791905,10.027866662131672,10.82025823408079,11.576588681491762,12.29538952659764,12.975981533107367,13.618329064254953,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_20,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1537455951587451,0.7738791468023074,1.873979981446651,3.467238773474924,5.026840017494383,6.057888525755375,6.59676402980711,6.847735184900944,6.941713236498547,2.895229966139848,0.5976446934132561,0.0093127327720348,8.548456737828703,4.078320265969223,5.025025732016268,1.2243354802702322,1.6743460078270802,3.422872121875628,0.0811244907088105,2.3233419334975647,0.5929755534040311,9.994219853311614,0.8631011007389748,1.6376855190930837,-0.0811244907088105,0.2141051750684905,0.5361884099078637,-9.994219853311614,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0228,6.642930054766028,7.433010663726698,8.220854583349343,9.000075435838099,9.7650026345453,10.510637468646255,11.23274734331441,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_21,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0974302446440358,0.6983111197480449,2.0847163066816496,3.923997374042287,5.476050263079299,6.42371977622584,6.902009856126079,7.121480196187918,7.203170225173427,3.3010862859854093,0.5041112782915881,0.0033827042520335,10.967019643060192,5.010793778453254,6.739625455731943,1.5480572075804535,1.266810485930734,2.741195867903756,0.1241222553703373,1.3021828692189292,0.1790445393188134,5.943680558036906,0.5295909110034144,1.118905857858293,-0.0233216596151264,-0.715388621347312,0.0820789009840562,-3.6252668556670544,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,7.7492106640480625,8.55162711389547,9.344781014316268,10.123540592450071,10.882672054456398,11.61744323095706,12.323980689823696,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_22,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1182231200723182,0.7332785830439387,2.0012527491603085,3.7662280716196928,5.353404137628673,6.351350367328559,6.860830559091908,7.095681818721581,7.1832531098366825,3.152145502973202,0.5454452683693893,0.0049349973802178,10.448606276734804,4.652371494652687,6.4805635893913776,1.4111217142759316,2.472222843354525,5.351438615261366,0.1985733633779997,1.6742221141103837,0.3491003340459385,9.172818575528202,1.7425879655051282,3.7458391255401193,0.0526463878081202,-0.4740483194841691,0.1849770045627268,-3.3947642982474444,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,7.327305008193822,8.191472440423874,9.036502835889785,9.858300477267916,10.653061841404728,11.417429192224416,12.148697668119306,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_23,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170827649844133,0.9001951964817456,2.128464517295545,3.786649082474969,5.270798507518086,6.206629414834417,6.685576461687306,6.906637040079304,6.98911235203528,3.2121212281143903,0.7078307489329076,0.0234761171358874,9.89708265221154,5.005504656060389,5.817151653219867,1.6422612988586678,4.393470891839683,9.695202833140018,0.4889624760579875,3.570634385578128,0.2869937469495506,17.542995036181797,1.995707349536363,4.418799474597362,0.0094097675973235,-3.161923068065815,-0.1051172106565714,-6.080433432109643,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,9.211947707411332,10.038492466889435,10.831120823561344,11.58741482838177,12.305979955751326,12.986202416294104,13.628098326332404,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_24,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1536986705721873,0.7737581553581027,1.8735420429969456,3.466199177262068,5.025628049532375,6.05680187970377,6.595809384779929,6.846856312730044,6.9408649803377225,2.894368952994581,0.5975422732692427,0.0093066096698193,8.544112343007551,4.076166542838572,5.0229961025872285,1.2238132319116573,1.675028299174678,3.4242895284374404,0.0811794647757271,2.3244640173804947,0.5931760966782432,9.99873079138793,0.8632336514174068,1.637893192725882,-0.0811794647757271,0.21379793321159,0.5363504713352343,-9.99873079138793,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0228,6.640358487183155,7.429581808317886,8.216997479553676,8.996058313547755,9.76099037047915,10.506728739556506,11.228998502957545,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_25,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0974338233926855,0.6983439895722325,2.0847658793217674,3.9237692781441527,5.475348109154622,6.422636281247527,6.900710545717619,7.120076986081722,7.201727587398977,3.30098937221515,0.5041322035938002,0.0033831436184742,10.964484948638392,5.010548948355042,6.737852539325711,1.5481814371736156,1.2845397887216026,2.780748821877573,0.1256195805014604,1.3026335967303757,0.1794839425119918,5.9745020456284905,0.5477454763401087,1.159394624177852,-0.0217392819748383,-0.7169119139881307,0.0811622063083073,-3.5852551795161807,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,7.749130400594635,8.551441259293323,9.34450715631285,10.123200411298766,10.88228606380207,11.617028696391625,12.32355119589635,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_26,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1182015947784234,0.7332137993518586,2.0010282747295625,3.765823216649739,5.353084532940672,6.351194926098937,6.860785375911224,7.095692659702009,7.18328562125587,3.1517739383325627,0.5453926277961322,0.0049327913702131,10.448760390772255,4.651044086418094,6.482258732505137,1.4107564668446395,2.431389339904171,5.259828982122287,0.1944807874519312,1.6663622469772237,0.3490308177578625,9.083942270932289,1.7080937772492786,3.6681794851309375,0.0498216749209527,-0.458508678298381,0.1884640203042223,-3.464985636355956,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,7.331298343096844,8.195381692301384,9.040247126835933,9.861838364774536,10.656376205129916,11.420517571636289,12.151566184606796,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_27,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170760182634233,0.9001625194649763,2.1285180303122715,3.786958114272128,5.271253475389189,6.207112525682707,6.686055503973789,6.907110215163865,6.989582712541963,3.2123449743733348,0.7078025279658202,0.0234770565748061,9.89940364476725,5.00575915418418,5.819108781522707,1.642340756553249,4.307812203579768,9.50194757390123,0.4799706799201282,3.5581949373211343,0.2887688342983734,17.370326499442427,1.9235699862835696,4.255298594145646,0.0031222364608885,-3.1239277440299977,-0.0955199332838176,-6.259189422679041,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,9.209331615384093,10.036218623172246,10.829146657353684,11.585714871383631,12.30453294462118,12.98498694452816,13.627092135782654,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_28,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1537430909338993,0.7739958550660763,1.87474492399321,3.4690868839575315,5.029949049337316,6.061988903033113,6.601431862995873,6.852678357731261,6.946761273977614,2.896677051520059,0.5977053340951285,0.0093098196018175,8.557992212576155,4.082046489138133,5.029169576380104,1.2255063103056616,1.6745538287489306,3.4235392902100314,0.0813695908328747,2.325510555411928,0.5926084709816339,10.000160960402146,0.8608579204201827,1.632959131745389,-0.0813695908328747,0.2099011937571845,0.5356497573986216,-10.000160960402146,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0228,6.649740435193932,7.437152675973102,8.223091562769977,9.000952598159436,9.764911849294982,10.50986216776528,11.23149363687667,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_29,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0974656112135267,0.6984577631720352,2.085043255298142,3.9252522806054087,5.478902414813136,6.4278511687210775,6.906858614626897,7.126672484794772,7.20849256558002,3.301905777898481,0.5042312257145376,0.0033847673482959,10.978285620006035,5.013186812041263,6.746370119906108,1.548380017226013,1.2378394316193069,2.676932856608216,0.1220285882249813,1.3042096835457375,0.1776547737051537,5.900193560975902,0.4964264198291881,1.0454149706874467,-0.0262540141330424,-0.7192387212005095,0.0826573045384729,-3.697378356861308,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,7.748111569231089,8.549493087728058,9.341791494279974,10.119889847043474,10.878537940741404,11.61297645337082,12.319303507568144,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_30,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.118175735845593,0.7331755343078129,2.0014615706517778,3.76745233569542,5.35551687723858,6.353922304771212,6.863605064056337,7.098542660528713,7.186145034124323,3.1529953042878067,0.5453457004069835,0.0049300560046526,10.458206618561103,4.655700950415022,6.485365047465638,1.4111487754289864,2.425443930205063,5.245922019562373,0.1958559044246096,1.7096894452952869,0.3498798762122387,9.19653257859755,1.668254212436153,3.579686671746563,0.0444179608708275,-0.4992776861993162,0.1887533565854683,-3.670233676802495,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,7.33469287056425,8.19901110127882,9.04390464734312,9.865417866122272,10.659825299252908,11.423812524158084,12.154698569410955,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_31,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171106760086508,0.9003028827886289,2.129419772376113,3.789131461596455,5.27445897493924,6.210938695974865,6.690198118963571,6.911399463110029,6.9939268185229295,3.2140897569797504,0.7078893430229557,0.0234882226467671,9.910330374517663,5.011857447879669,5.822798414904851,1.6436895423520972,4.335540516459516,9.562796093779374,0.4828082255523466,3.579672619511588,0.2911934695653817,17.478865989244408,1.9381602090237868,4.287236063491068,0.0033321640652008,-3.1396565694388547,-0.0953863272830154,-6.297637028040818,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,9.201877386171564,10.027847728695347,10.820239148356633,11.576569357915414,12.295369977340838,12.975961818689036,13.618309266933146,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_32,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1537159289633388,0.7738184527879534,1.8739129581463727,3.467152682954372,5.026731556766587,6.057766458851666,6.596635406955093,6.847603645340243,6.941580627235439,2.8951518619164887,0.5975877154685852,0.0093088580769705,8.548060924311951,4.078066263293747,5.024809247745448,1.2242475247776992,1.674431418084393,3.4230778182912367,0.0811587856903692,2.323701703607347,0.5929492578781124,9.995332804229347,0.8628435611807004,1.637136536606102,-0.0811587856903692,0.2135732756577464,0.5361381078948542,-9.995332804229347,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0228,6.642918029604777,7.433001409650804,8.22084795887514,9.000071020802908,9.764999927535673,10.510635990554984,11.232746683710166,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_33,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0974202117175729,0.698272720009945,2.084630719074237,3.923893151496881,5.475955016266333,6.423634545706506,6.901930161544843,7.121403080096089,7.203094070710483,3.300983536186067,0.50408099182159,0.0033819942494446,10.96669562040678,5.010453046926823,6.739457537976624,1.5479111046955083,1.2668202978100696,2.741219902193383,0.1241381771144147,1.3024519450246637,0.1790399811913383,5.944443722236471,0.5293720896663031,1.1184267728662003,-0.0233514645143385,-0.715700108749206,0.0820645859512404,-3.626349332434717,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,7.749203687246387,8.551623393380877,9.344779118148065,10.123539598065104,10.882671380733033,11.61744252531549,12.323979751544613,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_34,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1181783141837892,0.7331759784548931,2.001143386480408,3.766115384536678,5.353299426557822,6.35125686424528,6.860744352710951,7.095599293032715,7.183172004706564,3.1520330367408724,0.5453494949002551,0.0049308427092538,10.448330096745517,4.651952208768026,6.480496581403783,1.4109262463642698,2.4726199560717603,5.352331128540117,0.198620403918295,1.674421256948622,0.3490977167701015,9.174022067316203,1.7428169329253873,3.74636162634932,0.0526597992890205,-0.4743468064392624,0.1849354137065635,-3.3945773935479457,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,7.327271233912658,8.191440297920927,9.036472155827678,9.858271099905906,10.65303364293768,11.417402085960362,12.148671596381558,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_35,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170612990520041,0.9001666687703415,2.128461541381971,3.786655917609484,5.270803255029447,6.206632639570005,6.685579262207988,6.90663975070791,6.989115047455247,3.212127226220747,0.7077999231723808,0.023471326047443,9.897058948499357,5.005496370994531,5.817124638121309,1.6422560787928329,4.390658050845861,9.688953179966871,0.4887875160962252,3.571493251097068,0.2868748315521143,17.540645790598028,1.991974957524976,4.410526301593405,0.0090508974320479,-3.1629212050655098,-0.1050602710680704,-6.090362279447746,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0228,9.211935165694976,10.038482078844972,10.831111315070908,11.58740537652888,12.305970072388815,12.986191850845827,13.62808698906167,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_36,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683203452930093,0.3881361978352616,1.3159072607674145,2.8833965518455256,4.398048005391394,5.383837333636873,5.895559894606777,6.133232028097895,6.222134704074188,2.3196483908183443,0.2819015970211545,0.0046619547590832,7.524856823553332,2.38845261896567,4.684450725717788,0.3883310612950992,6.790902397017869,14.779323359662616,0.7287420202877382,7.835718825164739,1.0574203118640635,26.35461593672547,-0.5983945057584119,-0.879789033520491,-0.1657867574459692,-7.835718825164739,-1.0574203118640635,-4.953891283954291,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.719614403586649,15.496765036406831,16.1954299215084,16.825336710270374,17.394817020981137,17.910956441799705,18.37978660243256,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_37,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0629575513322065,0.3787367682850532,1.392152084705794,3.257759041904582,5.118688511569535,6.33482581182458,6.9651272165036335,7.257453903561927,7.366721245940595,2.574810364063783,0.2713419262976316,0.003978481729814,9.278181162150917,3.083486289360978,5.5940203948994105,0.6229573208884431,8.08198064433331,17.873076072421092,0.6819066805119619,3.150969535934935,1.019623291706636,23.91407128535244,5.359067600070781,12.2963342429253,0.5400067962520465,-3.150969535934935,-1.019623291706636,18.947575336255404,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.687394768856894,15.485186599425257,16.20121944679159,16.84619715824281,17.428808909268202,17.95626403987333,18.43466373774548,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_38,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0478245271131737,0.3636297385635953,1.3948538131448132,3.1865557779181684,4.915906194244766,6.032274633472608,6.608473875891087,6.875313576558941,6.974999957257751,2.540576189884694,0.2518241624844067,0.0021802053409057,8.814324223602686,2.941394561178185,5.444627129509298,0.5823632212981971,7.586757734734648,16.767074090492713,0.6965271116172573,4.090371863187869,0.9365435121139564,23.53071369478556,4.149081136951611,9.574869772561396,0.3703673312633117,-4.090371863187869,-0.9365435121139564,12.115121382397469,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.01248108031609,15.032362478584975,15.928523128916764,16.717310766253757,17.413225422758302,18.028837330885555,18.574931427855827,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_39,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683595829869601,0.3887946981580927,1.319467712640048,2.8910971883268024,4.40953019220481,5.39786207633013,5.910939578321724,6.149249230882934,6.238391690912794,2.3259306233715447,0.2822755154967675,0.0046659642817617,7.55420252185455,2.401644362102882,4.701142669679422,0.3906282479733056,6.766895326958145,14.727786279172156,0.7246381043566631,7.773225762490452,1.0537251749125058,26.22559964763384,-0.5670696337192079,-0.8118266142833083,-0.161017586789487,-7.773225762490452,-1.0537251749125058,-4.772349542481416,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.744848643495256,15.517598487940244,16.212997658373144,16.84042676961932,17.407985624383937,17.922602986969835,18.3902030023668,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_40,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0629639705061182,0.3786794356535249,1.3918127624729189,3.25652900242438,5.116185569282799,6.331411091952907,6.961230310204842,7.253332350037128,7.3625156301129,2.573970947646133,0.2713207486594117,0.0039787452519287,9.274115417575164,3.082194352146646,5.590635634117046,0.6216192250469293,8.132848583798278,17.98750474135732,0.6881290227574323,3.1867848829901955,1.0224887167616052,24.06544357561353,5.392099029324422,12.370223808850255,0.5414116693446313,-3.1867848829901955,-1.0224887167616052,18.93033620616549,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.826625502022408,15.609065583644789,16.311671267275095,16.944972345894193,17.517447697786274,18.036098022951226,18.506833866238217,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_41,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0478009057849043,0.3634991320819913,1.3937683028290626,3.1834218931276808,4.91064354216491,6.025528395990777,6.600924817740409,6.867384057481755,6.96692689736741,2.5381962694153075,0.2517457425597288,0.0021778150839137,8.809233685144958,2.938406243413846,5.439620697893739,0.5790075921242857,7.559989194731128,16.706090875392086,0.6949876659548885,4.110641141696746,0.9349371454057492,23.491138133762444,4.0990394155522125,9.46344676974234,0.3649240258890513,-4.110641141696746,-0.9349371454057492,11.938910731458142,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,13.77994759024368,14.824278903062066,15.742125294218337,16.549988017883784,17.26261662874264,17.89285741466747,18.45176358937849,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_42,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683960087263006,0.3880191133789166,1.315470821033777,2.883433818043226,4.398791154176576,5.385028634668529,5.896970132226981,6.134740166540352,6.2236788164852666,2.319453669288102,0.2818745634742823,0.0046744035057523,7.527835808338884,2.38758111393749,4.686732922038162,0.3873391819570691,6.751321663698845,14.692164000436012,0.7245977184263475,7.80197894846263,1.0524518604657098,26.218645936643107,-0.6092782414497923,-0.905900845130944,-0.1662301345855246,-7.80197894846263,-1.0524518604657098,-4.960328918772414,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.720604450358486,15.499835723042004,16.199741322120644,16.8303295367335,17.40012487553799,17.916343231024644,18.385103451814985,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_43,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0628899653226503,0.3792902676511366,1.394384103418244,3.259852489518615,5.119257490631542,6.334149001560238,6.963770040274656,7.255776232926974,7.364923151648074,2.577216597272578,0.2716161441253317,0.0039668177110389,9.277444245451363,3.0905383576128584,5.590059498105533,0.6256711526207772,8.14765352157809,18.02163181999576,0.6891472591354126,3.174667591780063,1.0227842058631855,24.083771838608342,5.422676364503628,12.43796054239728,0.5445190941447438,-3.174667591780063,-1.0227842058631855,19.021786063934933,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.490397248119072,15.311852883978222,16.047824822198297,16.709716016909898,17.30676628416775,17.84662095418954,18.33572893263384,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_44,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0478408289360303,0.3635948284482124,1.3943945727818134,3.185269191741488,4.913841303691158,6.0296958107857215,6.605620946895785,6.87233112873366,6.97196866940216,2.539584515698892,0.2518193996584893,0.002181952962669,8.808123655528433,2.9393704217048326,5.440700732460583,0.581503662117574,7.614115502572342,16.828392271294792,0.6995499376327529,4.105959144472654,0.9385557831880668,23.610400560075465,4.168250903401637,9.617986026288776,0.3715742810921543,-4.105959144472654,-0.9385557831880668,12.131252581154516,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.112510360381398,15.12488333436184,16.01346441553309,16.79500215701628,17.48418516470415,18.09365233922974,18.634192286189062,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_45,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683044124804653,0.3881181757052666,1.3159498144636808,2.8834972111086854,4.398160397943779,5.383943159896574,5.895659205442927,6.133327713563489,6.22222894379271,2.319734942420886,0.281879087217005,0.0046596996701614,7.525225065082755,2.3886524183593014,4.68463255643928,0.3883849746961568,6.791102349080351,14.779769541564866,0.7287615457539348,7.83580561261165,1.0574390092396064,26.355187876725,-0.598245863491884,-0.8794527700989612,-0.1657745925186194,-7.83580561261165,-1.0574390092396064,-4.953576962814393,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.720439064351416,15.497529924064995,16.196135467596754,16.825985545061993,17.395412916480726,17.91150364014373,18.380289413340577,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_46,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0629387104058279,0.378691007186161,1.392115351466929,3.2577739196106466,5.118742767969854,6.3348987934677154,6.965208157959087,7.257538186379381,7.3668067245621,2.574807132483834,0.2713009576508543,0.0039761073665587,9.27836739429766,3.083478054207708,5.594142198694201,0.6229400580631479,8.081990358218698,17.873122139129844,0.6819037014609748,3.150661472054268,1.0195964569364644,23.91365300038701,5.359438286060658,12.297142011402023,0.5400443571098756,-3.150661472054268,-1.0195964569364644,18.948575948098544,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.68561336554541,15.483573883729012,16.19975542740746,16.8448646709028,17.427593088912424,17.955151942201518,18.433644052772536,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_47,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0478188459108966,0.3636160264002683,1.394842495480537,3.1865555344946213,4.9159193802220384,6.032297182565194,6.608501331310878,6.875343306470708,6.9750305362730405,2.540571528751489,0.2518115037129262,0.0021796715460997,8.814264020400643,2.9413997311273867,5.444560878733291,0.5823412806286172,7.587164987535687,16.767996093287127,0.6965655350917415,4.090393413039849,0.9365660592526438,23.53164916760762,4.149570825114604,9.57596101899282,0.3704104478764667,-4.090393413039849,-0.9365660592526438,12.116221115073,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.012575053517608,15.032438161191452,15.928585460888844,16.717363226658147,17.413270459545046,18.02887667487192,18.57496631384492,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_48,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683062055365098,0.3886750002936316,1.3193240793093135,2.8909472370507623,4.4093633045041685,5.397678374445347,5.910745753717799,6.149050430127522,6.238190987533367,2.3257837844182383,0.2821672076236961,0.0046586526019664,7.553850038812619,2.401417645068668,4.700928091466855,0.3905247802845754,6.766675058738149,14.72722951773532,0.7246220868010707,7.773874332685914,1.053781810828869,26.226081743547127,-0.5681395734359378,-0.8141658183937569,-0.1611188608645059,-7.773874332685914,-1.053781810828869,-4.774851424748062,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.745163739682392,15.51784801880541,16.21319289831228,16.840576718003756,17.408097694481032,17.922683404740766,18.3902570483988,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_49,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0629634533166477,0.3786609372558747,1.3917607977505233,3.256463521003867,5.116116967648383,6.331342153230382,6.961161505626893,7.253263664090603,7.362446996785629,2.573908218373166,0.2713092504620125,0.0039787449530868,9.273881945953688,3.082099749537884,5.590506042885999,0.621598452372708,8.132811164651105,17.987416515466325,0.6881308737846518,3.186915415081115,1.0224877374426191,24.06549970702761,5.391938263386454,12.369867193904192,0.5413918014914899,-3.186915415081115,-1.0224877374426191,18.92963217676695,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.8260087398355,15.608534976154028,16.311216850492453,16.94458442742278,17.517117289942984,18.035817030783484,18.50659513900943,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_50,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.047777970594252,0.3634584267168015,1.3937733747919383,3.183484107319176,4.910735963561283,6.025632390803221,6.601033002391871,6.867493830269616,6.9670372100965245,2.53824176602076,0.2517035977045904,0.002175574025262,8.809464638624833,2.938544882372048,5.439694848250388,0.5790227324371202,7.560516983122018,16.707286723165467,0.6950411114461285,4.110725971245146,0.9349629855970704,23.49239448072543,4.099638186043263,9.464779565311035,0.3649729948416245,-4.110725971245146,-0.9349629855970704,11.940010399567797,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,13.77740186431314,14.821980765905082,15.740049990645783,16.548111181839204,17.260915639467584,17.891311908024345,18.45035554161605,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_51,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683885744969592,0.3880115875572313,1.315455289615855,2.883387459429548,4.39871053531599,5.384924010020006,5.896852601884794,6.134616550627533,6.223552910225019,2.319419109609444,0.281866060021605,0.004673276905453,7.527494982714705,2.3875566627849736,4.6864563462604725,0.3873556010524121,6.75188262693667,14.693404710029863,0.7246747490852624,7.802736122538722,1.0525045523169454,26.220783639320924,-0.609295630715433,-0.9059214634115772,-0.1662577494287863,-7.802736122538722,-1.0525045523169454,-4.961853808670782,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.72064978616612,15.499866256148293,16.199759709132838,16.830337811526213,17.400124693251602,17.91633599564517,18.38509037999644,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_52,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0628678942748225,0.379231220624397,1.394305868270478,3.2597786385652787,5.119185431145598,6.334075414651368,6.963695014825047,7.255700416711536,7.364847021638676,2.577140805872359,0.271565031816992,0.0039640706189329,9.277042431472625,3.090366099584549,5.589790351925696,0.6256116755678469,8.147337745723258,18.02095393894936,0.689115833591107,3.174255588712032,1.022722005646015,24.08243941714676,5.4227913228815545,12.43818767401186,0.5445322635547853,-3.174255588712032,-1.022722005646015,19.022014465875497,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.491165012542938,15.312509701130107,16.048394718628877,16.71021662814657,17.307210736676307,17.84701916188692,18.33608849617016,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM0228_53,RSM0228.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0478000369177585,0.3635047925977079,1.3943015068317053,3.1851997745444254,4.913792253591925,6.029656547061904,6.605585689607883,6.872297494004567,6.971935603806293,2.5395062485444013,0.2517358275076661,0.0021779593069706,8.807703926240368,2.9392979081904715,5.440361603096812,0.5814697546161889,7.614281867056615,16.8287795750699,0.6995586450384417,4.105735590848329,0.9385560418286382,23.610502465522657,4.168679286081503,9.618933675777924,0.3716196416104782,-4.105735590848329,-0.9385560418286382,12.132637345543936,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0228,14.11292552723624,15.125253541476503,16.013794142136845,16.795296008547506,17.48444751204174,18.093887154554825,18.634403089390016,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn]dmd.cat0,"linker [O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-], nodes [Zn], topology dmd"
RSM1572_0,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0019255475670043,0.1478578241813501,1.0966701149475069,3.1444683623666934,5.349309213268696,6.840219549181511,7.623840957825273,7.989381887420709,8.126331018320021,2.369581919253025,0.0759349510146063,7.618634890346742e-07,8.885698210597411,2.961806759477167,5.222336953104736,0.3289044748309614,17.029673678867443,39.00219525282773,2.004239096981064,8.98728270905681,1.884743519743481,73.14836839433723,-17.029673678867443,-39.00219525282773,-2.004239096981064,8.936413545284045,1.884743519743481,-73.14836839433723,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1572,21.9375985411323,22.282690557584,22.55331557067744,22.76906739595167,22.9436149454274,23.08668789524157,23.20534259513181,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_1,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0021449168552846,0.1553865901325282,1.1633082531325605,3.348027408390456,5.656122855520707,7.193043027790711,7.994488344434061,8.367005964540674,8.506361172275811,2.5253392839565945,0.0801683147279956,1.0139117781088218e-06,10.215179266243792,3.34444517593788,6.011841763839906,0.3723956930402863,17.356469666179294,39.70207367739146,2.050924238025613,8.84722728592316,1.82685394484824,74.78234833089644,-17.356469666179294,-39.70207367739146,-2.050924238025613,8.236136429615804,1.82685394484824,-74.78234833089644,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1572,21.994677271723905,22.336553734779503,22.604609065031354,22.81834231797964,22.991315763106428,23.13316377573088,23.25086452518128,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_2,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.001903222761703,0.1472032284188801,1.0940545287689236,3.139906270814804,5.344348465759565,6.835603103691508,7.619554098222804,7.985279096485173,8.122301846136297,2.3655212305166,0.0755311617398027,7.391227223348662e-07,8.867925608805525,2.953333633379812,5.211814617261799,0.3272129798931502,17.03144177574209,39.00598187476665,2.004491682248871,8.986524953253385,1.8844303140114,73.15720887871046,-17.03144177574209,-39.00598187476665,-2.004491682248871,8.932624766266937,1.8844303140114,-73.15720887871046,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1572,21.87006166247744,22.18006069792856,22.422909306597063,22.61637112942398,22.772800573013857,22.90097198084049,23.00723813044031,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_3,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0021501057011842,0.1556113819874058,1.1636726686932242,3.346053258646438,5.6507233245509,7.1852674569117925,7.985476146720643,8.357421563830854,8.496563244942562,2.5244392436583003,0.0803015714734625,1.0144714911855782e-06,10.19107014677541,3.341323376213425,5.996361225443032,0.3726780962986832,17.35212054122797,39.69275942985679,2.0503029344611385,8.84909119661659,1.8276243612681893,74.76060270613985,-17.35212054122797,-39.69275942985679,-2.0503029344611385,8.245455983082934,1.8276243612681893,-74.76060270613985,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1572,21.123851326538603,21.481735691210872,21.76248410031086,21.986422522586853,22.167706784785043,22.3164027073399,22.43980644847262,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_4,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0019254539463452,0.147888561101153,1.0975831545644958,3.1486278200863134,5.356929867901528,6.849926397733172,7.634557107227974,8.000548853055573,8.137663668861814,2.372461475898555,0.0759459632199221,7.611173902794896e-07,8.915065505382476,2.9705019812401487,5.238007311314997,0.3290453403897499,17.02799247856868,38.99859473182332,2.003998925509811,8.988003223470566,1.8850413323678337,73.1399623928434,-17.02799247856868,-38.99859473182332,-2.003998925509811,8.940016117352826,1.8850413323678337,-73.1399623928434,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1572,21.866623530857133,22.216917872611297,22.49153220901371,22.71040801986072,22.887446408845022,23.032536635167745,23.15284753119695,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_5,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0021609126218119,0.1560602174388461,1.165290522813343,3.349729423524649,5.657239213131983,7.193988908849872,7.995428221517292,8.367962341302995,8.507326830243532,2.527270768304265,0.0805712650230968,1.0202817368095964e-06,10.21521856758823,3.3478427731721423,6.011012364090487,0.3736216004952273,17.356615829340477,39.702386705846365,2.050945118477211,8.847164644568368,1.826828053088258,74.78307914670238,-17.356615829340477,-39.702386705846365,-2.050945118477211,8.235823222841834,1.826828053088258,-74.78307914670238,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1572,21.1152998434306,21.44631312165652,21.705773481066764,21.912608714435304,22.07997338202968,22.21720644643832,22.33106881139734,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_6,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0019025221899197,0.1471743578731004,1.0937644131912323,3.138696685535407,5.342008886698796,6.832491122939965,7.616039542957687,7.9815779699696945,8.118531044286318,2.364687928680339,0.0755150665128978,7.386493423507826e-07,8.85805219664078,2.950806415940993,5.206324765546897,0.3271026874879004,17.030745165937358,39.00448998933475,2.0043921665624795,8.986823500312562,1.884553713462525,73.15372582968679,-17.030745165937358,-39.00448998933475,-2.0043921665624795,8.934117501562806,1.884553713462525,-73.15372582968679,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1572,21.80537649212842,22.11102635833224,22.35041154784744,22.541079960516235,22.69522926199556,22.82151873650307,22.92621569631397,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_7,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0021443046702564,0.1555381119788036,1.163685984349465,3.346213467576784,5.65097750445071,7.185613500525643,7.985884524369855,8.35786252977284,8.497017000229217,2.524561726268858,0.080244037094687,1.003493988303054e-06,10.18729113469342,3.3416616550741844,5.992378073227516,0.3721198741705291,17.351992267745896,39.69248471460312,2.050284609677985,8.849146170966046,1.8276470839992984,74.75996133872945,-17.351992267745896,-39.69248471460312,-2.050284609677985,8.245730854830226,1.8276470839992984,-74.75996133872945,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1572,21.11435525303554,21.47448503781376,21.75690409802006,21.982116681651075,22.164393693462856,22.313877577136005,22.437916937092844,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_8,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0021431240272429,0.1558977646392828,1.1372547013640828,3.1889461617759816,5.362406000328365,6.82852618518909,7.599492240953012,7.959319394567099,8.0941643285459,2.419292687199913,0.0804889797869907,9.768111504573943e-07,8.866298369708396,3.035030588655262,5.234926616564305,0.3513855919038705,17.149797090462805,39.25945601282707,2.0213995843518298,8.93580124694451,1.863464515403732,73.74898545231403,-17.149797090462805,-39.25945601282707,-2.0213995843518298,8.679006234722555,1.863464515403732,-73.74898545231403,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1572,21.703599790867777,22.0630593585924,22.3449378525986,22.569666042112623,22.751490302713336,22.900546871581938,23.02418411865043,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_9,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0021453143301717,0.1556509269502861,1.1342798776310703,3.176902454028734,5.33890683175532,6.7969672924085405,7.563663767320915,7.92149682135398,8.055594599514174,2.410973627993953,0.0803778563951168,9.940135481402836e-07,8.77811098564398,3.0105891289000457,5.184069924249031,0.3498521478163773,17.148718602610014,39.25714628318342,2.021245514658574,8.936263456024278,1.863655561823369,73.74359301305009,-17.148718602610014,-39.25714628318342,-2.021245514658574,8.681317280121394,1.863655561823369,-73.74359301305009,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1572,21.22618847723048,21.53289489246432,21.77328652726755,21.96488247286258,22.11987524373331,22.246927823414243,22.3523141969715,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_10,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0023769266013149,0.1645171084066996,1.1572495393435396,3.106899241405944,5.052895603326994,6.320143593488526,6.975403309095624,7.278952493662397,7.392357763335678,2.39155853626458,0.0856528089246554,1.1620173957697083e-06,7.846774895360425,2.886309583900329,4.579734055098116,0.367787632899361,17.161228869352595,39.28393873510638,2.0230326956217994,8.930901913134601,1.8614394574289683,73.80614434676298,-17.161228869352595,-39.28393873510638,-2.0230326956217994,8.654509565673006,1.8614394574289683,-73.80614434676298,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1572,21.71325250527981,22.09118591395197,22.38769485504472,22.624217290949087,22.81569284431587,22.972748839107403,23.10309028315695,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_11,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0023948454806736,0.163725967662127,1.1496185172126037,3.089973318793618,5.031543886127149,6.297766170843593,6.9529559954663815,7.256567974117064,7.370011411847484,2.377372747960184,0.0853451319521858,1.2307335097191168e-06,7.767148916373641,2.854543739163377,4.541373802489879,0.3640722905271792,17.152422141412174,39.265077919442135,2.0217745916303107,8.934676225109069,1.8629995063784148,73.76211070706086,-17.152422141412174,-39.265077919442135,-2.0217745916303107,8.673381125545344,1.8629995063784148,-73.76211070706086,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1572,22.02090160737565,22.345292123063423,22.5997025949071,22.80261159515583,22.96687131832076,23.101612018002125,23.213447191831825,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_12,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1349552286955356,0.4886527555629444,1.2111645563496478,2.4029205745648747,3.673840324880579,4.555237976136822,5.026352381540959,5.247941293053595,5.331253996497684,1.9605382066476824,0.3868347578528976,0.0182082458780272,5.655092035942997,1.507332597080855,3.546216003185135,0.164190965256279,3.7273966142178097,8.035121095261303,0.5810852988000972,8.343824567532396,0.5657736819966321,22.052811175097546,3.7273966142178097,8.035121095261303,0.5810852988000972,8.343824567532396,0.5647753303725357,22.052811175097546,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.684588709750416,5.093304563668145,5.541087714307707,6.018526209128363,6.515337563963969,7.022005720270779,7.53057479489079,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_13,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1353366748767956,0.4997917335149973,1.278795752221474,2.56084729371037,3.916303658204024,4.85568338645102,5.358290566535351,5.594860582735268,5.683836198297874,2.087032173384052,0.3928769474874989,0.0182682853839659,5.765927211856983,1.6163435665521055,3.666427697266978,0.2705448640213175,2.7579919065640133,5.965721867288598,0.4510964771733264,6.3634331751715605,0.3811511925930995,17.788221247360948,2.7579919065640133,5.965721867288598,0.4510964771733264,6.3634331751715605,0.3810481041785094,17.788221247360948,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.598005657921084,4.984511544370171,5.413223952705002,5.8747813750366165,6.358825688526828,6.85564713946457,7.357012621332854,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_14,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1470279001770723,0.6112540415516685,1.5614633367858206,2.893983782565808,4.1626294216611255,5.002665334945868,5.4440129088775215,5.650223228987108,5.727554554228519,2.4235699153466888,0.4711153898964719,0.0193387568042352,8.152791430629135,2.132668907545863,4.890580255567599,0.1457113611858614,1.5408150263452849,3.324881294247621,0.2443786640826974,3.4958443390068643,0.227452691568594,9.402431354062395,1.5408150263452849,3.324881294247621,0.2443786640826974,3.4958443390068643,0.227452691568594,9.402431354062395,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1572,5.09257218615038,5.501888369749855,5.9371395207807085,6.391911345990835,6.859037166004588,7.331705619811248,7.804078396357892,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_15,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1466664830819608,0.6242319247984708,1.800011111998692,3.830820091644203,5.863754767192569,7.195724225966989,7.886383071243286,8.206710149073722,8.32644067141271,3.0875661364055245,0.476335906794656,0.0191001504520625,12.089934883072138,4.02930420098946,7.035485137862399,0.6933806644168391,4.615532743373203,10.010987892667297,0.7216123129503883,9.512301997687151,0.608999713944842,27.81068215364224,4.615532743373203,10.010987892667297,0.7216123129503883,9.512301997687151,0.5818814276573204,27.81068215364224,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,5.313025127302825,5.714571572439671,6.139944884501345,6.583727036307611,7.039507297722803,7.501004411053067,7.962726618043853,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_16,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1454579653215295,0.6174292887037947,1.6512986003458194,3.260104991265876,4.821964831251417,5.840408760199065,6.368455876194767,6.613447164895431,6.705037481808986,2.681711993016565,0.474158096974347,0.0186078008783567,9.822493780496169,2.858123773986536,5.793657255082717,0.2955988791410567,2.507259578539573,5.4350833573375485,0.4216547044908891,5.880497214466685,0.3251279415296926,16.979531421664376,2.507259578539573,5.4350833573375485,0.4216547044908891,5.880497214466685,0.3251279415296926,16.979531421664376,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1572,5.7776026069921285,6.1824789365114015,6.606832259431524,7.04574608885543,7.4934927142495455,7.94451100073713,8.393987946376654,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_17,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1357143396349097,0.4908856341703678,1.2255946461658591,2.421953563390351,3.68569415649849,4.563084920166356,5.033104803937308,5.254470290351317,5.337748879114653,1.9804147687303235,0.3883442061952875,0.0184085633901546,5.303711982865504,1.5062602699808163,3.2791774980308106,0.1824038437959674,3.421204548927627,7.38248231002051,0.5279516772269557,7.431763568460508,0.5101812812714046,19.941903689084235,3.421204548927627,7.38248231002051,0.5279516772269557,7.431763568460508,0.5035867403721762,19.941903689084235,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.706151021384129,5.109891867316683,5.5493883154701615,6.016455061448983,6.5018829196357215,6.996988164875967,7.494396417123094,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_18,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1361661926957844,0.4935577968035781,1.2373275103114132,2.393936857140985,3.553192392624956,4.336296140657132,4.750879432643006,4.945169109114188,5.01811589530396,1.975656718101799,0.3899095159478223,0.0185239184081854,5.046672564639387,1.4371833319686642,3.201450744802353,0.2025263476706121,3.3681360202349566,7.280735877435973,0.5291149364569385,7.347148635610823,0.4801000281475144,20.30618268350219,3.3681360202349566,7.280735877435973,0.5291149364569385,7.347148635610823,0.4722410057864778,20.30618268350219,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.659885574189293,5.074548665488736,5.522587695373517,5.996378476440166,6.487158297981154,6.986585499185817,7.487541809457357,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_19,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1450775112619371,0.6129214438867228,1.6239379790898334,3.2079338695490693,4.760133288860779,5.773956091337352,6.299376977865595,6.543038008231994,6.634109437106837,2.635856003810876,0.471432129091847,0.018583883122281,9.4935281895254,2.647345789342621,5.667009281501718,0.3075964920418231,2.859788637115192,6.195193250541775,0.4589071200952833,6.267744028311476,0.384539773958124,17.937398750907867,2.859788637115192,6.195193250541775,0.4589071200952833,6.267744028311476,0.3763899634715578,17.937398750907867,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,5.950619566290495,6.3411058064885495,6.754009192687701,7.183526194731283,7.6233667154213505,8.067608202920706,8.511200267707832,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_20,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1463503024616486,0.6065122093723279,1.5004288738625244,2.623458364010052,3.633015666880075,4.29222337578195,4.637678896115543,4.799019325247489,4.859520865176158,2.2386571053283286,0.4681475844667516,0.0192366664135861,7.147746179624734,1.6848994787931797,4.362245721691497,0.0734363192728621,2.826702062401224,6.069417796565041,0.4189916086314987,6.178634931453214,0.4722731515844842,15.195902292198792,2.826702062401224,6.069417796565041,0.4189916086314987,6.178634931453214,0.4722731515844842,15.195902292198792,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1572,5.196836609922301,5.595004308996842,6.0217970881545,6.47016401103117,6.932499314393387,7.401674629285204,7.871613199128653,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_21,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1458988795437276,0.6167588492710273,1.7391613301294908,3.640598258592669,5.537548800094224,6.780912180261296,7.425985649389503,7.725262055808467,7.837139563214836,2.9464050248141813,0.4720842802626409,0.0189516456531151,11.27120727173422,3.547594702360477,6.674009759123181,0.5623322440955689,4.227355420482514,9.164513357475474,0.6703671973384927,8.989374566686088,0.5612097696007176,26.04646318235521,4.227355420482514,9.164513357475474,0.6703671973384927,8.989374566686088,0.5426099133565347,26.04646318235521,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,5.416557406502432,5.795363190858309,6.203480931385291,6.634167163197101,7.080058399707318,7.534168557516329,7.990473337694209,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_22,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1348154372735534,0.4880894236027852,1.206864817787329,2.388907753257397,3.650032091487204,4.525275752327869,4.993275665150179,5.213435852396524,5.296216938703412,1.9501825608400496,0.3864669818414966,0.0181716853742454,5.608100245525756,1.4854232873568487,3.516295192754661,0.1594993401148183,3.7741298547469615,8.135173616923561,0.5876432358803588,8.441766893252426,0.5741422781389325,22.278738172977768,3.7741298547469615,8.135173616923561,0.5876432358803588,8.441766893252426,0.573105099493727,22.278738172977768,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.654237300912453,5.06171202540352,5.50850815141745,5.985165192969154,6.481360806962316,6.987546428348854,7.495739787092665,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_23,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.135331123977402,0.4991014211437739,1.2747465764289545,2.552741198110248,3.90558391748576,4.843574188252838,5.345517372921009,5.581789405547041,5.670655091759682,2.0801604594311067,0.3925111038451083,0.0182696909059799,5.7450802491335065,1.603245991732318,3.6531796989068384,0.2635309316680489,2.736116271029759,5.918689923748457,0.4480232380095793,6.320302175106394,0.3775281693402814,17.68104530552176,2.736116271029759,5.918689923748457,0.4480232380095793,6.320302175106394,0.3775281693402814,17.68104530552176,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1572,4.605454879322918,4.997319893989864,5.430225439508232,5.895059746552882,6.381659843871375,6.8804683242711615,7.38337139644476,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_24,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1470503392799213,0.61167199666627,1.5660544403430947,2.905117307741078,4.175579983376652,5.014744527739985,5.4551220455343135,5.660775552186236,5.737882267623391,2.4328743650736486,0.4713261413467461,0.0193408423491712,8.172170623454559,2.150771697150456,4.901608666545154,0.151513103968705,1.543820933479874,3.33140273851494,0.2448894383462361,3.502936440249763,0.2278326184993511,9.423156016837158,1.543820933479874,3.33140273851494,0.2448894383462361,3.502936440249763,0.2278326184993511,9.423156016837158,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1572,5.096745823250888,5.5090036335719645,5.946736520772829,6.403595325363405,6.872479317946402,7.346637505186697,7.820283164177769,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_25,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1466587518500792,0.6246341557486519,1.800329510963244,3.825781005319589,5.851840198008352,7.179263630232613,7.867597523681462,8.186855902729683,8.306188621487058,3.08484046730885,0.4765604751259208,0.0190938744167832,12.055230015535898,4.019038729651519,7.013383335926599,0.6947986093153748,4.619456345216326,10.02022075626684,0.7222791016580242,9.511382132472878,0.6084280330228587,27.84210125826905,4.619456345216326,10.02022075626684,0.7222791016580242,9.511382132472878,0.5809947203130984,27.84210125826905,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,5.314326080335257,5.719251155151419,6.147160501395314,6.592824158980062,7.049984077877549,7.512481762059869,7.974922364867175,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_26,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.145583024729372,0.6178625565695189,1.6519813320397208,3.25816566046535,4.816225677865136,5.832034919665095,6.358709535365636,6.60306549111414,6.6944186896766364,2.680971272500646,0.4744704812652857,0.0186399458415013,9.825297880074547,2.858069393893089,5.790704189016709,0.2930120359981971,2.612711958479662,5.64685850769196,0.423076801678013,5.997326371903766,0.3693878183771747,16.551816325062607,2.612711958479662,5.64685850769196,0.423076801678013,5.997326371903766,0.3693878183771747,16.551816325062607,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1572,5.779090835677963,6.185803759433231,6.611650767762219,7.051813711718993,7.500623821033281,7.952557458873922,8.402827173240855,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_27,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1357081114375601,0.4906930456342078,1.2266381776757915,2.426276232926384,3.692713626232909,4.571676411639575,5.042476924815509,5.264198763661677,5.347609761556986,1.9836067658699907,0.3882005844353273,0.0184086561997814,5.317315189184762,1.5157411038674586,3.283649678361656,0.184432859032519,3.46351818660373,7.473420797971681,0.5342918371452862,7.524607516835013,0.5171030212166985,20.17422853869324,3.46351818660373,7.473420797971681,0.5342918371452862,7.524607516835013,0.5105025693831198,20.17422853869324,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.723045264670483,5.129377390272016,5.570686034274144,6.038995101300735,6.52525869782273,7.020915001087567,7.518678024446002,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_28,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1360547733956923,0.492835469090333,1.2301546532610954,2.375319482876506,3.5263922834366386,4.30543219117344,4.718214847448504,4.911730626037181,4.984397452227462,1.960815826398472,0.3895373825331167,0.0184932069459697,4.972603427690908,1.4023241420599313,3.1614319014770187,0.1960494308796221,3.353729292613612,7.249041325629252,0.5269550249566736,7.325855739085773,0.478828909067787,20.222568320976755,3.353729292613612,7.249041325629252,0.5269550249566736,7.325855739085773,0.4712915786121776,20.222568320976755,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.671721157639473,5.086449519170438,5.534453489205636,6.0081304355283205,6.498739288398775,6.997957221395759,7.498681107562474,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_29,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1451215215710506,0.6128205991540238,1.6236496134968517,3.2098956718997624,4.765688601736719,5.7820165442449705,6.308728873038647,6.552983153758647,6.644275167709124,2.636732040649464,0.4713939946872263,0.0185996446672814,9.50376217557723,2.65088284536549,5.671090092082069,0.3050525331166515,2.844097288926353,6.1623861621986,0.4574610382598459,6.240796597948317,0.380301310357987,17.91449580372465,2.844097288926353,6.1623861621986,0.4574610382598459,6.240796597948317,0.3721611747348002,17.91449580372465,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,5.856888038115449,6.245162884928673,6.656449401559202,7.084803300786163,7.523829662556807,7.967524980070334,8.41077522945427,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_30,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1462913460688583,0.6061589791797292,1.5002140985902048,2.624067106412553,3.633907748022957,4.293091391122348,4.638498719133873,4.799811720236061,4.8603023993165815,2.23901996938386,0.4678732282720678,0.0192297658044455,7.147619881368617,1.6864001328541265,4.360992916305497,0.0735582962077191,2.833100367528196,6.083099287844647,0.4198849379392915,6.192179871042528,0.4734454049138756,15.226443818109423,2.833100367528196,6.083099287844647,0.4198849379392915,6.192179871042528,0.4734454049138756,15.226443818109423,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1572,5.172624789003415,5.569670354771925,5.995813280863788,6.443858188681312,6.906096912042825,7.375328445400748,7.845424490834784,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_31,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.145826876975661,0.6165233523833618,1.7370835632260757,3.637813677921772,5.535350808618246,6.779192776591657,7.424497397892551,7.7238744138054365,7.835788328025802,2.943607882141048,0.471990121351325,0.0189232035713951,11.282123088846957,3.538492537650088,6.678497631088264,0.5527834544262771,4.162756073359691,9.024723809533512,0.6603086887650994,8.852578326768548,0.5521902525005936,25.66181952820648,4.162756073359691,9.024723809533512,0.6603086887650994,8.852578326768548,0.5338464088404622,25.66181952820648,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,5.346157898306036,5.723492821308383,6.130386764474708,6.559985629809829,7.004870069343581,7.458028013516449,7.913424959499515,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_32,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1349681575150128,0.4886386962333133,1.211480152950425,2.405123347961674,3.677932668357285,4.5602618560757495,5.031746237790229,5.253480059250828,5.336842589533225,1.961983852546609,0.3868331401469463,0.0182119862583169,5.679111728718565,1.513489202246605,3.557988364817986,0.1627642227629796,3.704133508740944,7.985941266540198,0.5785528085506295,8.302760377548216,0.5604279044947149,21.990798597524098,3.704133508740944,7.985941266540198,0.5785528085506295,8.302760377548216,0.5595056597452603,21.990798597524098,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.687314933433153,5.094489702435239,5.541084566321652,6.017593100354972,6.513664438491423,7.019733396153164,7.527808816295356,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_33,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1353922847174395,0.5000754587097171,1.2787364200356748,2.558085108765272,3.910417213261442,4.847782961861921,5.349371701917259,5.585476206280768,5.6742789768806405,2.0853683717276272,0.3930774543921011,0.0182827756566919,5.74785360268428,1.6115510848421228,3.657386089462741,0.2723776689706623,2.777805804346596,6.008629283732471,0.4545885553455167,6.4141337419238456,0.3837301339150049,17.93233292610471,2.777805804346596,6.008629283732471,0.4545885553455167,6.4141337419238456,0.3837183563735061,17.93233292610471,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.595882505075343,4.981826696629234,5.410046744380264,5.871185392409914,6.354882729167945,6.851423765809708,7.352568381464771,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_34,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1470186034199909,0.6112595115484923,1.562088236531207,2.895352416418917,4.163711529752744,5.003133053250958,5.444058300351201,5.650051804430701,5.727298895802467,2.424794748993353,0.4710989792696751,0.0193374649950673,8.158284288521228,2.136584648837331,4.892112317550495,0.1463050949015561,1.5384789321368804,3.319729397313233,0.2439005819594818,3.4896835878127352,0.2273095336268833,9.380646076479326,1.5384789321368804,3.319729397313233,0.2439005819594818,3.4896835878127352,0.2273095336268833,9.380646076479326,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1572,5.071086733576256,5.48121956869419,5.917148104964588,6.372495624441749,6.840119725426836,7.31322473116978,7.785982657596624,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_35,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1466524595368,0.6241290164751541,1.7981512039327154,3.8269351175428543,5.85905726794213,7.1908276903020365,7.881447737756862,8.201768357420313,8.321498129230337,3.08422977950826,0.4763354499171728,0.0190881946853329,12.07646031994564,4.016810778444726,7.027591385761452,0.6878678405748273,4.603493744295145,9.984581420761153,0.7198268985070952,9.493831192522984,0.6078134852260976,27.742533205376187,4.603493744295145,9.984581420761153,0.7198268985070952,9.493831192522984,0.5809382218504405,27.742533205376187,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,5.293814431604164,5.6960939693010815,6.121904542677326,6.565899506727036,7.021723731282399,7.483140012511571,7.944691694173893,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_36,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1455691755130735,0.6177719026672832,1.6533972709215763,3.2649241002999814,4.828060337675286,5.846719134981485,6.374721432484276,6.619659701353251,6.711225230075024,2.6857122302722995,0.4743913174209543,0.0186374574814786,9.833492826436332,2.8691393202140256,5.798576366056887,0.2984396215706182,2.495490496856729,5.409637715074699,0.4197401021022905,5.853411313675053,0.3234805796594494,16.904354662876695,2.495490496856729,5.409637715074699,0.4197401021022905,5.853411313675053,0.3234805796594494,16.904354662876695,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1572,5.723322063061443,6.128879265455265,6.553871273619532,6.993393937784625,7.441722936525567,7.893296546716777,8.343299781376611,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_37,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1357608764837495,0.4913843957743291,1.229724417969436,2.431403715138623,3.698761273962357,4.578105508448184,5.049074139361144,5.27087029238174,5.354308669800394,1.988189984088736,0.3885980772176008,0.0184204511631563,5.339886538056819,1.5261006895956102,3.297431659914966,0.1866620996059866,3.442092573334212,7.427132447158073,0.5308273792143986,7.475272510620661,0.5140441633979507,20.0389275768063,3.442092573334212,7.427132447158073,0.5308273792143986,7.475272510620661,0.5074377151751565,20.0389275768063,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.7265014179733305,5.130405337635349,5.569948380568673,6.037004582896459,6.522410421504011,7.0175128020478175,7.5149549824147535,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_38,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1361496270331798,0.4933314923417276,1.235585307636699,2.389272149202381,3.5460895306508635,4.327919367792385,4.741939786161676,4.935990196815237,5.008851023757908,1.972023375003235,0.3897923811403443,0.0185196102710925,5.028697059816167,1.429441867953236,3.1908117370406326,0.2010269236236749,3.3724116710488814,7.290184691646525,0.5296721669152916,7.3509772168174194,0.4804434536747596,20.325912667206207,3.3724116710488814,7.290184691646525,0.5296721669152916,7.3509772168174194,0.472432612569523,20.325912667206207,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.664085510065827,5.077702523714469,5.524898534892023,5.998003860614682,6.488221949461294,6.98718557365476,7.487756870944254,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_39,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1450096839010995,0.6127224520682985,1.6231891834860277,3.2068959647615216,4.759393255302149,5.773541359201465,6.299150683750091,6.542902049681264,6.634007623683117,2.6348245398537737,0.4712808141850049,0.0185680967202223,9.48709261370725,2.643916602041337,5.662825458481226,0.3058295370368727,2.8585521605439306,6.193095753142533,0.4589570059299684,6.262427323335566,0.3834262111120504,17.948992848655895,2.8585521605439306,6.193095753142533,0.4589570059299684,6.262427323335566,0.3751377551586564,17.948992848655895,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,5.5958994548410335,5.986262363460605,6.399091658092886,6.828575576410196,7.2684152986813295,7.71268018986029,8.156312921797031,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_40,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1463417126314245,0.606350864385885,1.4999394810670137,2.6225539924263725,3.631331499836609,4.289801703810758,4.634810471370393,4.795929806217103,4.856346526380912,2.237933494601416,0.4680432641906411,0.0192372854829,7.143523381950885,1.6833327285906814,4.35986229200906,0.0732780709829647,2.824600388938058,6.064877187850257,0.4186529734645076,6.173824176654119,0.4719728478314841,15.18270619782524,2.824600388938058,6.064877187850257,0.4186529734645076,6.173824176654119,0.4719728478314841,15.18270619782524,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1572,5.099926877237078,5.498696091942602,5.925981211646419,6.37475839867502,6.837436730044412,7.306897411467,7.777071029066662,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_41,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.145905419634735,0.6166877840675886,1.7377702250284903,3.636013966483267,5.530091288102063,6.771775872407062,7.416032983810651,7.714942152071977,7.826684165744669,2.9429717433163027,0.4720609263844428,0.0189547464638815,11.247979255471176,3.5360027019118343,6.660563436399133,0.5587543051197207,4.224370319291316,9.157729737498858,0.669776331435322,8.98478631734633,0.5613168980636825,26.01868931262777,4.224370319291316,9.157729737498858,0.669776331435322,8.98478631734633,0.542813730219496,26.01868931262777,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,5.04898306160479,5.427650691836957,5.835673733074644,6.266303352024747,6.712170124956812,7.166282329793991,7.622610669259797,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_42,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1348640962246075,0.4879900301439961,1.2060285322812,2.38878091653511,3.651943517297508,4.528771370869938,4.997617908954935,5.218172353068155,5.3011008050807575,1.94956186629053,0.38645625000848,0.0181849138485615,5.615106408703499,1.4855884912157165,3.519305048912494,0.1582133699310201,3.777323183511252,8.142279205451162,0.5883336886138755,8.450129077683467,0.574231502346625,22.311255263160216,3.777323183511252,8.142279205451162,0.5883336886138755,8.450129077683467,0.5731833428428055,22.311255263160216,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.654053032009341,5.060829831111475,5.507037504953308,5.9832005449274,6.47898362981298,6.984826740235889,7.492737414792415,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_43,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1352648658904337,0.4990713501014179,1.2746532199753389,2.551562592405776,3.9029615862508313,4.839975270073075,5.3414154325808285,5.577455794158902,5.666235198237811,2.0794539572198087,0.3924552705349741,0.0182514547377992,5.735000345314095,1.6011991533890175,3.647672246694593,0.2647133269844634,2.7388111747029176,5.924405851052671,0.4483493019099631,6.32553253022599,0.3781083690847612,17.690426571507093,2.7388111747029176,5.924405851052671,0.4483493019099631,6.32553253022599,0.3781061077113416,17.690426571507093,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.376026015592895,4.767439197794459,5.199991039412336,5.664561153071344,6.150974348782802,6.64966064150654,7.152494566985321,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_44,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1470858335077885,0.6119799072420505,1.5696421400709768,2.9155356796428555,4.190655057648957,5.0318048562054765,5.472942454506238,5.678893366010314,5.756102791266452,2.44101450433933,0.4714956267027367,0.0193464136124188,8.204843794389225,2.1707623337691966,4.917250219526643,0.1559999201468185,1.5440480456401575,3.3320258769867346,0.2450545166043852,3.504484178475239,0.2276241616766476,9.43357593410618,1.5440480456401575,3.3320258769867346,0.2450545166043852,3.504484178475239,0.2276241616766476,9.43357593410618,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1572,5.093137624671074,5.505687182542287,5.943681143220744,6.400772482342421,6.869861592983795,7.344198357815921,7.817997121754995,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_45,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1466656511734885,0.6245727847482245,1.8008105283826543,3.829184170815557,5.858364277507893,7.187602276215669,7.876784586926966,8.196414047354825,8.315881784638636,3.087076480880756,0.4765328260305488,0.0190942482849786,12.080474632054877,4.025528018237925,7.026953746967799,0.6950891492507485,4.619506173484431,10.019897277432236,0.722492760461109,9.522227930705302,0.609002618048098,27.852913933341767,4.619506173484431,10.019897277432236,0.722492760461109,9.522227930705302,0.5818505603240886,27.852913933341767,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,5.313590821945604,5.7187992629028574,6.146973377144413,6.592883709581479,7.050272788088662,7.512982993344941,7.975620631814829,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_46,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1455843652273029,0.6178583202048405,1.651424064762842,3.256472199085592,4.813414204013508,5.828496891407186,6.3547985097656055,6.598982636332011,6.690271821542743,2.679689413857929,0.4744853771696769,0.0186390961501958,9.835544059528614,2.8567941918950086,5.793897530884267,0.289635210764525,2.620432731297366,5.6641405883209055,0.4249042886664576,6.019667040629026,0.3693970241777197,16.6411365501652,2.620432731297366,5.6641405883209055,0.4249042886664576,6.019667040629026,0.3693970241777197,16.6411365501652,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1572,5.783099538036132,6.189898596424055,6.61579579006305,7.055981509214582,7.5047924064547855,7.956708813531435,8.406946521684931,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_47,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1357254945890674,0.4906646930443734,1.2262020261044653,2.424788736311602,3.690182366154241,4.568546175535191,5.039066834933495,5.260666068009508,5.344032402677143,1.982520414887112,0.3881992089172981,0.0184134560215323,5.313907080404369,1.513678907497919,3.2817906817130136,0.1839467095052646,3.466792158309257,7.480500412149257,0.5348741034136372,7.533248223840757,0.5175425085558516,20.19831363102729,3.466792158309257,7.480500412149257,0.5348741034136372,7.533248223840757,0.510963989738926,20.19831363102729,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.716332497730756,5.12267928756592,5.5640229104640815,6.032376175921657,6.518685867948372,7.014385537133919,7.512186518292256,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_48,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1360551412444878,0.4928614522544118,1.2303369080572857,2.375483318479116,3.526557667779278,4.305734415335237,4.7186415580109164,4.912228182215985,4.984923655453545,1.961007102453665,0.3895477836606007,0.0184933860436233,4.973314500838455,1.4032660451191503,3.1614857536650383,0.1962575662244929,3.3514492361128365,7.244019312352321,0.5266058402603454,7.322403750119571,0.4786390744255188,20.208830726835444,3.3514492361128365,7.244019312352321,0.5266058402603454,7.322403750119571,0.4711519346517369,20.208830726835444,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,4.667246590339089,5.081832099392971,5.529724965670491,6.003316469657707,6.493859541008726,6.993026259512259,7.493709499950363,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_49,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.145125526216341,0.613031690996396,1.6251724560552143,3.213647969425244,4.7712897072001415,5.788664478593991,6.315876280481297,6.560352980288609,6.651726681668917,2.639716932578757,0.4715026161491338,0.0185988803030392,9.51620771843494,2.661290688172027,5.673462578636581,0.3056860408671511,2.856479765258274,6.189303983442112,0.4597881761968686,6.274289508654189,0.3817096316108352,18.014414507280453,2.856479765258274,6.189303983442112,0.4597881761968686,6.274289508654189,0.3736466705148175,18.014414507280453,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,5.7006835187691935,6.08904680354068,6.500428631602815,6.928895011802445,7.368053800075919,7.811899638649636,8.2553142453338,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_50,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1464063751436467,0.6063302377361932,1.5007193065089666,2.6263816728707154,3.638175343474959,4.298413841613361,4.644275358354167,4.80577629399166,4.866333472388664,2.2405952517214147,0.4680430368703129,0.0192602289831232,7.16020919640493,1.6906555338692832,4.367339160665163,0.0737867409687619,2.8292676714803275,6.074972434737104,0.4194163530133674,6.184598495587267,0.472618451908682,15.21280635353408,2.8292676714803275,6.074972434737104,0.4194163530133674,6.184598495587267,0.472618451908682,15.21280635353408,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1572,5.126047359642024,5.523125022701932,5.949292155390761,6.397334876470346,6.859539855705747,7.32870695612468,7.798711292213104,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_51,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.145801769370191,0.6162021219410015,1.7353568271983126,3.6359370056815417,5.533795659744719,6.777683102921506,7.422941136328898,7.722280031905926,7.834177035833272,2.9416325233141656,0.4718434155527221,0.0189124038081372,11.28332217976343,3.5306005137335417,6.676252215525369,0.5445048022531537,4.169944149769976,9.040512955714211,0.6607938262472339,8.850176866438112,0.5530665005286143,25.66561189987495,4.169944149769976,9.040512955714211,0.6607938262472339,8.850176866438112,0.5343057085928369,25.66561189987495,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1572,5.086881440252927,5.464348327242841,5.871299746459065,6.300906100170971,6.745767750694236,7.198887675371574,7.654242409061131,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_52,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.268123308913191,0.9789137517695584,1.903954852496585,3.312660424036946,4.9146183384339945,6.053339957718861,6.666312872185788,6.955251481105422,7.063965019815278,2.7763106166221614,0.8008913725704415,0.02781705895817,6.767660474254604,4.166813432661083,3.543253554038736,1.164359243823541,3.3213846166408967,7.078123661398749,0.4404615388802988,6.845076927683286,0.6521507690046386,25.416153860810454,-1.0832307721620915,-2.614461541662444,-0.4404615388802988,-4.606923083204482,0.3438276917884296,-25.416153860810454,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,10.038568808009064,10.532638897319236,11.038975618927871,11.5554954753802,12.07792017642107,12.60116472184306,13.120195967919662,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_53,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2680450125661081,0.977652126731238,1.863822959246296,3.1272950440555483,4.575296407517522,5.623289393129164,6.19328921356468,6.463278572287093,6.565070106422454,2.6483111374310315,0.8003942482803348,0.0278267870809806,5.817789006615944,3.5853556729117666,3.101807793296797,1.0911018352980013,3.010761746582864,6.382291191712404,0.3664159439916876,5.942089298516366,0.6527590822449602,22.382127612748068,-0.653397693334012,-1.680882192115558,-0.3664159439916876,-3.5847252452675127,0.396267921450779,-22.382127612748068,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,9.84977460441466,10.326972034130264,10.819992548429054,11.326028582575717,11.840244548420424,12.357106529498184,12.871214566128058,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_54,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.155311720701603,0.8355548154548662,2.1099191187437727,3.794131125114952,5.395298820716761,6.461469418902056,7.02314990035765,7.285867804154531,7.384431122345876,3.2023277380395827,0.6326787906549571,0.0095375834512472,9.46904352218226,5.017867222547417,5.433283320439462,1.4928549938026263,2.5577774502598363,5.39084931052193,0.2810310788413545,4.806026080990674,0.6112776925380875,18.40950882812628,-0.2525333381537091,-0.7933857155430749,-0.2810310788413545,-2.500781968884546,0.4145559373491394,-18.40950882812628,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,7.33613513252345,8.0009803347121,8.670791871079429,9.343151874036815,10.01404565747892,10.678670110633051,11.332142772743552,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_55,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4301519584516339,1.3989816389450878,2.598667237631383,4.007561109829465,5.396295528398761,6.3474168095625005,6.854431287811634,7.092702558223852,7.182259577433229,3.50925573109627,1.157986003149801,0.0574471774154024,8.334049068296629,6.585506657782388,3.6631873108494943,1.7216049359653094,3.716173100373646,8.173972268356847,0.7396848193777612,9.633651655395733,0.2667879933329701,33.37456188942346,-3.680675093403965,-8.103176818156863,-0.7396848193777612,-9.598153648426054,-0.2509913802314621,-33.37456188942346,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,12.609345933190554,13.179981661916155,13.73435365657841,14.267780401264163,14.776585876597592,15.258368046705156,15.71193284173699,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_56,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2684763658781225,0.977790064784968,1.851396845587974,3.0321949822479883,4.341709400794291,5.279861236156711,5.788602303699679,6.029342926628863,6.120076509813051,2.5915141876986123,0.8007493709247707,0.0279711724631019,5.163123146731344,3.4680887946392303,2.650975510481676,1.087139425061319,3.0010059308748427,6.329071886504,0.3336686436249474,5.6703550798744216,0.7098189324425284,21.67840252687316,-0.3356805053746319,-1.0134801241576548,-0.3336686436249474,-3.0050296543742108,0.4762508819050655,-21.67840252687316,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,9.811477406818875,10.313152088305747,10.827445207252913,11.35173215241504,11.881407262699495,12.411217341006376,12.936069444963527,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_57,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2686943081430161,0.9776410604172724,1.837089923085615,2.9248295748477684,4.069546960297905,4.872790768433961,5.305166359528908,5.509203298548613,5.586022408704788,2.528030622286956,0.8008916711081013,0.0280432968308761,4.563031224288917,3.2096567392475874,2.324465942272455,1.0723142029418469,3.001442411167408,6.343414237960969,0.3467353034880835,5.775324839072077,0.68551317892934,21.94191812559871,-0.4659106237134271,-1.2866764176521233,-0.3467353034880835,-3.2397930516180966,0.4427984664876817,-21.94191812559871,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,9.809209466720082,10.33262554900806,10.863262365330211,11.400005814455945,11.93934301198637,12.476799706432493,13.007833049493147,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_58,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1551463773440592,0.831388418973264,2.0748394565672728,3.696376100103835,5.25187240720736,6.294911594282223,6.845937955124878,7.103940548260176,7.200772393256647,3.1256228054953867,0.6302006919819817,0.0096237336768633,8.969793993535557,4.75696699856558,5.187955441070041,1.4543666173830412,2.530357885064736,5.323305818628379,0.2685585693150623,4.678826439585236,0.6224619413880657,18.022960811624927,-0.1552278080858874,-0.586465149605612,-0.2685585693150623,-2.303696362606386,0.4344709428675222,-18.022960811624927,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,7.416555137643537,8.099753142347978,8.784310784416867,9.46814520856765,10.147610303812304,10.818300917709657,11.475738308976858,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_59,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.428343123135757,1.3941202941099924,2.5703781710454354,3.870286230629462,5.112149305427541,5.959602719986192,6.411959845312309,6.624788581458297,6.704827925240954,3.418556232286421,1.153912663359074,0.0571406291692198,7.443940001525815,6.272456346433341,3.1978012704677035,1.677205825784354,3.73002060063468,8.204393110955602,0.7424045606539489,9.66925708586627,0.2678506160562783,33.49819421625238,-3.694025005904808,-8.132605296606082,-0.7424045606539489,-9.6332614911364,-0.2518325764014853,-33.49819421625238,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,13.208851042859006,13.786602533567294,14.344797438425877,14.879828287513703,15.388735852367112,15.869609172997418,16.321596843747677,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_60,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2681793635787059,0.9790933435660738,1.90241921656184,3.303064677873805,4.8959766490842105,6.029144653898861,6.639407868140391,6.927131362612278,7.0353975640750965,2.7699778602507314,0.8010566394318615,0.0278096033724601,6.708533456316117,4.148154149482537,3.5088360704782784,1.1608585148554698,3.3244131596516704,7.085204455528799,0.4414710532172235,6.856181585389459,0.6516056312626992,25.451486862602827,-1.090297372520565,-2.629595635463879,-0.4414710532172235,-4.622065798258353,0.342575894010643,-25.451486862602827,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,9.53010913249346,10.015859330304956,10.515582198504957,11.026815033204242,11.545010982989874,12.06488303364024,12.581239685556636,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_61,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2681875314038418,0.9780237687040384,1.864001721439132,3.124200107107062,4.567644738959137,5.612597660214004,6.181065912747908,6.450359902148751,6.5518942233331545,2.646681055907148,0.800708902778999,0.0278435932209386,5.788018056855529,3.5843809899111143,3.082144583689609,1.09080632925348,3.017447606764422,6.397201501804472,0.3679448960280195,5.961006774988578,0.652867504957631,22.446135954382505,-0.6620013535157735,-1.699617266638031,-0.3679448960280195,-3.6055605217399296,0.3953060777380176,-22.446135954382505,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,10.021222998830432,10.515992800831718,11.021809146622171,11.537142605368675,12.05810273121355,12.57984872414642,13.097486544418222,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_62,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1553600335147135,0.8358556351611368,2.110550942002301,3.7944212917980735,5.392980466740178,6.45630242913711,7.0162029111365225,7.278031695486218,7.376252829283374,3.202986360058473,0.6329153744607133,0.0095385460988069,9.466601343100262,5.0127236908049975,5.43533170827331,1.4936506002405323,2.5627741094073686,5.402481419547392,0.2826479611747765,4.823957798805579,0.6104695514835731,18.46682977053237,-0.2637055023403961,-0.8173339430433754,-0.2826479611747765,-2.524889191738608,0.4126159786612298,-18.46682977053237,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,7.271374846463289,7.961279047352842,8.650766354999938,9.33865463641177,10.021843153483257,10.696222489860917,11.357446293350549,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_63,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4303292598046568,1.3994790116882752,2.600002862936421,4.008375941168636,5.394228619451556,6.3426962992048965,6.848174471283148,7.08570337345944,7.17497853729069,3.5106019410746963,1.158394009164478,0.0574785381447998,8.332414495380343,6.586645349990183,3.66314964582302,1.722990842133676,3.715772289899047,8.173121965089372,0.7396354048255667,9.632855528503582,0.266702284957138,33.37156954600657,-3.68058175835662,-8.102939728507733,-0.7396354048255667,-9.597664996961155,-0.2510424984207581,-33.37156954600657,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,12.713137961740964,13.295096059531057,13.85792011586728,14.39795315920364,14.912126068234002,15.398404339675311,15.85582301359025,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_64,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2685202987947091,0.9778923752219064,1.8521392159699752,3.036433691037223,4.350074097462014,5.29071742583777,5.800641228387805,6.041902636842513,6.132826247665704,2.5942914698555204,0.8008433843264744,0.0279750798176642,5.18426955531387,3.4790558423128046,2.660849741271054,1.0878634630223043,3.007485985334949,6.344222383432817,0.3358286617783164,5.694115279561481,0.7086525226397091,21.75400316224107,-0.3508006324482147,-1.0458619499031594,-0.3358286617783164,-3.0374299266747458,0.4735724593948878,-21.75400316224107,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,9.859028749624684,10.362691205463726,10.877849250520354,11.402377119991517,11.93201521519696,12.461734499966743,12.986574937838393,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_65,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2684240657614841,0.9770884597113793,1.833845931114407,2.9146053176513256,4.052698113745561,4.852014895402079,5.282488966049789,5.48567524841154,5.562181480296674,2.520380597649523,0.8004375901649946,0.0279848000970377,4.511479718075019,3.1888063397785333,2.297549755847676,1.0673910120076748,3.012328359008748,6.3679535678666594,0.349479156436468,5.808161610500491,0.6852127014405152,22.051224923773106,-0.4824632053559331,-1.3225169986791678,-0.349479156436468,-3.2782964568476776,0.4405772919349878,-22.051224923773106,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,9.81111579980464,10.341109368334664,10.876850557234608,11.41754897943865,11.959941632383824,12.49974744936227,13.032573294826893,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_66,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1551855750677035,0.8315332308437802,2.07491506440598,3.695128096190766,5.248483728353755,6.289991481419662,6.840223983387779,7.097861926205756,7.194558266057433,3.1250017642904817,0.6303229164139771,0.0096235635045484,8.95581873023444,4.757262158581539,5.175588038787475,1.454357566631926,2.52474871692943,5.310890654067698,0.267366999795822,4.663684715296006,0.6222000544164301,17.971083580563587,-0.14892128102879,-0.5726592072792578,-0.267366999795822,-2.2878572793953658,0.4350431545593548,-17.971083580563587,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,7.296928185646267,7.976859817400137,8.658910350216624,9.340838438539349,10.018872182080832,10.68850559218641,11.345178972684868,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_67,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4282808172784222,1.394068234766128,2.5703264651927085,3.869756322638003,5.110887017900114,5.957938758510951,6.4101470320824685,6.622923888656077,6.702946852434072,3.418258242206418,1.1538500495104866,0.0571214928986082,7.437613775054882,6.2718019938737255,3.189107050515022,1.6758271284554902,3.73001617621265,8.204430176719535,0.74244907002826,9.669608736438729,0.2677651921116415,33.499062281628454,-3.6944745240699497,-8.133547682768741,-0.74244907002826,-9.63406708429603,-0.2519491569081399,-33.499062281628454,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,12.889657966920884,13.463636913236128,14.019072368345014,14.552050678595004,15.059407633394676,15.53909254529804,15.990157144026371,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_68,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2683193278362751,0.9793665693382076,1.906295395646824,3.3201878794513338,4.926670699419139,6.067823717101379,6.681905800281292,6.971326260475884,7.080214799990888,2.7819521482413827,0.8012741773357763,0.0278458165495221,6.8070885620560695,4.18744706646551,3.5611770023218248,1.1673590946998675,3.323564105460012,7.083219349847617,0.4411880351533374,6.853068386686712,0.6517584610171976,25.441581230366808,-1.0883162460733622,-2.6253527814798523,-0.4411880351533374,-4.617820527300061,0.3429268364098617,-25.441581230366808,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,9.779380377122136,10.27028367626991,10.77442250583077,11.2892867651171,11.810374528005944,12.332485613453716,12.850527959372718,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_69,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2681520838825604,0.9777751724467,1.8630779701176392,3.123762597832099,4.568728731785944,5.614786985937844,6.1838117900816725,6.45335605069227,6.554982400332672,2.645869448168224,0.8005401075087882,0.0278509694868115,5.796465391958943,3.578003705725045,3.0887834634006373,1.0909342540013065,3.000720422175646,6.359292578334578,0.3635326566847848,5.908981675653925,0.6536968565841906,22.27425524457392,-0.6346061446722033,-1.6404325689955883,-0.3635326566847848,-3.542867398150482,0.3992239969048415,-22.27425524457392,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,9.973006773075964,10.447974010847783,10.938766379211124,11.442679175140418,11.954932499826176,12.470017718602117,12.982541017731297,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_70,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1553095732824841,0.8355312152374589,2.1096076732764417,3.7934734601969273,5.394429625736814,6.460510700096414,7.022159671145918,7.284866464531668,7.383426204557685,3.20177474742646,0.6326733431173862,0.0095361898496176,9.462708197709375,5.017661394702445,5.427192324161127,1.4918942771957684,2.5545171090379304,5.383623444368444,0.2803292382795976,4.79715101527471,0.6111427917476335,18.379170310781603,-0.2487752737580449,-0.785167215178006,-0.2803292382795976,-2.4914091799948253,0.4149123249519155,-18.379170310781603,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,7.287872648010489,7.954660356885375,8.626159809566738,9.299944168195513,9.972015935026253,10.637600482233674,11.291846961704984,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_71,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4302220487720681,1.3991339211557363,2.5990165973178545,4.0081249141894215,5.396796461618144,6.347718176470928,6.8545824054375135,7.092773630170428,7.182299084455486,3.509769770117654,1.1581158671048235,0.0574637572862244,8.332701147916268,6.587063788320645,3.659821611523858,1.721618431072024,3.715720174778208,8.173001209360299,0.7396190907861024,9.632672901067028,0.26670968255236,33.370982689613086,-3.680470733082816,-8.102701485315094,-0.7396190907861024,-9.597423459371637,-0.2510236809979111,-33.370982689613086,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,12.439392356435144,13.011521161700763,13.567003376798748,14.10127560392228,14.61073760039012,15.09303772665735,15.547016536677573,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_72,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2686037064785418,0.9780700447237108,1.8532901631039729,3.039575587163651,4.354787472749955,5.296347982232271,5.80673367069818,6.0482079988883095,6.139211096749802,2.5967616348175624,0.8009830967151172,0.0279943264943203,5.207981063453538,3.482250539701901,2.6770402819816645,1.0902089483433437,2.9998361025842124,6.32633680456394,0.3332787008614041,5.666065709475446,0.7100295015348417,21.664754530149143,-0.3329509060298286,-1.007634312815705,-0.3332787008614041,-2.999180512921061,0.4767344109318591,-21.664754530149143,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,9.916454253366677,10.413796305330196,10.923808718274207,11.444068958427144,11.97011542169071,12.49677581904524,13.018985024632808,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_73,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2686710462434291,0.9775724028800222,1.836720212641072,2.9243446749060475,4.069268329697333,4.872684974384048,5.305147816040229,5.509223636823824,5.586056963461756,2.5275273130598555,0.8008431161902757,0.0280384614292515,4.562162668522094,3.2095865011824287,2.3221752814188914,1.07199407255058,3.0007975804929923,6.342643198309346,0.3472347927305702,5.778675922337554,0.6842896869495626,21.948683757076367,-0.4715503468127092,-1.2984389778190717,-0.3472347927305702,-3.2494286886572707,0.4412253320381636,-21.948683757076367,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,9.825507043206755,10.343804899077313,10.870504950188913,11.404218394939653,11.941225952022265,12.476895988440038,13.006564512770897,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_74,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1552670735067173,0.831703092217042,2.075022370615135,3.696137629383464,5.251515232512848,6.294584010765093,6.845643457616944,7.103663866509479,7.200502662576017,3.1255035647440104,0.6304811067907489,0.0096371167341956,8.967222039079616,4.756318752999447,5.186744056934114,1.4546272565830984,2.5302355114208583,5.32317027082045,0.2686638137537576,4.67954602145092,0.6222101517939865,18.024453832179447,-0.1564026261167176,-0.5889166560141379,-0.2686638137537576,-2.305713136146778,0.4341454821663563,-18.024453832179447,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,7.376890628786438,8.05697557408845,8.739069007545117,9.420948004327665,10.098864171783452,10.768334400437311,11.4248184983884,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_75,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4283108891059121,1.3940959315596584,2.570095656477532,3.8686034015042168,5.108539582056443,5.9546241163065705,6.406258177116677,6.618750156856082,6.698663505530412,3.417478008981776,1.1538863120001954,0.0571293857369259,7.430066822734275,6.268504115107016,3.188791038793761,1.676283784652819,3.7303663618389913,8.20517028092807,0.7424895269633457,9.670282577545755,0.2678451679620774,33.501622348461865,-3.6945289077944654,-8.133697854454372,-0.7424895269633457,-9.634445123501232,-0.251897500912264,-33.501622348461865,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,12.944056130514769,13.519466723037462,14.07584461463869,14.609460413770648,15.117260899782282,15.59726319415771,16.048561163924997,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_76,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2681337160718082,0.9789512723847936,1.9020830162766271,3.3031794402509216,4.8972229547260655,6.031288065255879,6.642037970573484,6.929989867112219,7.038341731385824,2.769816148956469,0.8009395489289357,0.0278095094197649,6.711256146369999,4.148376138557247,3.5098896402724966,1.160288511304841,3.3244277715012167,7.085238618325274,0.4414759238337388,6.856235162171127,0.651603001129781,25.451657334180865,-1.090331466836172,-2.629668653116543,-0.4414759238337388,-4.622138857506084,0.342569854446164,-25.451657334180865,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,9.617661676789709,10.10054051549345,10.598081350323287,11.10767152151804,11.62463979963011,12.143598616515886,12.65927699520288,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_77,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2681346750371787,0.9779110062634934,1.863057586237596,3.12048216394101,4.560914298771075,5.603994082324828,6.171537306470855,6.440413708516242,6.541793834571928,2.644055042876428,0.8006224335382395,0.0278284865490046,5.766473890872266,3.576329423481403,3.070267452950848,1.089872692898775,3.0128359261524524,6.387116588874757,0.3670839851724176,5.949507807531792,0.6524295149395584,22.40585933421061,-0.6580039255717232,-1.6907573885165808,-0.3670839851724176,-3.594675806951064,0.3954707253188663,-22.40585933421061,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,8.6491701149977,9.14158774282819,9.645723802592672,10.159891345554668,10.680070002640123,11.201315958525887,11.718655797029475,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_78,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.155410307392531,0.8359436933516581,2.1103037633579,3.793200374576704,5.390943016185963,6.45393171238285,7.013731008016397,7.275529925958665,7.373742690884863,3.202126904450659,0.6330094120235508,0.0095440538322222,9.457248839360918,5.008538485694281,5.431919260662225,1.493056948347116,2.5629375724192425,5.402671875615399,0.282516491654865,4.823069505658163,0.6107887978736908,18.46501769519352,-0.2622273441294085,-0.8142504318255683,-0.282516491654865,-2.522359277368329,0.4130272537152855,-18.46501769519352,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,7.265533572041243,7.954841806815345,8.64388008141121,9.331430915082157,10.014370011558514,10.688570243373771,11.349670990093427,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_79,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4303560946855636,1.3995837790722432,2.600752890286178,4.011284897461105,5.399510683699884,6.349385108238098,6.855523303647861,7.093340754530888,7.182720838516124,3.512646783483063,1.1584673454783754,0.0574838075376695,8.351894402907087,6.592412359623106,3.6728492957313983,1.722905793747186,3.7152346794352393,8.17191607780626,0.7395057224222755,9.631280458813444,0.2667062028069144,33.3662878456217,-3.679822544787516,-8.101291887071573,-0.7395057224222755,-9.59586832416572,-0.2509478028886778,-33.3662878456217,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,12.718730566529288,13.300120891961408,13.862499274847224,14.402182836131828,14.916082085421513,15.4021462791248,15.85939754694772,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_80,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2685353905217933,0.9778978747578884,1.8519108312660848,3.0355938122258554,4.348570042342344,5.288759872923809,5.798443031253504,6.03959157622881,6.130472799514386,2.5936845793311134,0.8008577195479808,0.0279796596578096,5.180503919774476,3.47711186484828,2.658775213894637,1.087507679182552,3.0081433270512448,6.345759261512351,0.3360477756837482,5.696525532521231,0.708534201130776,21.761672148931183,-0.3523344297862374,-1.0491467872518845,-0.3360477756837482,-3.040716635256223,0.4733007581521524,-21.761672148931183,2.0,3.9887,0.0,2.0,0.8900000000000001,-10.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,9.835332555431808,10.338383131466587,10.853109577033113,11.37733221904081,11.906752424603312,12.43631293867982,12.961033552010448,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_81,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2684718180488081,0.977174311755084,1.8339784330781643,2.9151700634449496,4.054033375157731,4.853971660887964,5.284794868241668,5.488148417153439,5.564717979244251,2.5207383610216247,0.8005198034373917,0.0279926016435822,4.516531035993883,3.189533835808956,2.3014592394526696,1.0675351342676676,3.0120828017678845,6.3674704137965445,0.3494855317511617,5.807967055777178,0.68509147475328,22.050124643862656,-0.4827725157437333,-1.32314044486428,-0.3494855317511617,-3.278656769753027,0.4404516025274671,-22.050124643862656,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,9.81653894854273,10.345184014973867,10.879936774429035,11.419918182046096,11.96179372734879,12.501227196817604,13.033784242213942,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_82,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1551881465368686,0.8315474506577702,2.074546593422434,3.692650380099748,5.242825357238339,6.281937142213229,6.83086589759362,7.087888269558288,7.184352968710389,3.123461659972138,0.6303389144747835,0.0096227655939448,8.934378241488389,4.751750645365515,5.162328895598315,1.453822747525999,2.5234144869472908,5.3075705862483975,0.2667276788829074,4.657235918010549,0.6228050487860933,17.951626012394605,-0.1438623018817825,-0.5619106859629998,-0.2667276788829074,-2.2776837329450417,0.4360956735680582,-17.951626012394605,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,7.289300918492489,7.965977969303898,8.645557846369194,9.32558856671038,10.00215480041748,10.670647797265447,11.326431545116266,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_83,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4283556133040758,1.3942094145036852,2.570716486073953,3.870507828753708,5.111653349681532,5.958587507566756,6.410709030538492,6.623441110607254,6.703446695360366,3.418920947118828,1.1539750131001187,0.0571404700019543,7.438676271529822,6.273781400811047,3.1858418851670693,1.675548261674526,3.729653683939012,8.20362898892989,0.7423731722933068,9.668639062285466,0.2677461913029096,33.49573186556119,-3.6940780389940553,-8.132678701433917,-0.7423731722933068,-9.633063417340509,-0.2519150293024045,-33.49573186556119,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1572,12.815211918223929,13.38703928150368,13.940231553037089,14.470948972152325,14.976095478213876,15.453668926880932,15.90275017202547,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_84,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.074695957011764,0.3978297341234253,1.2962876503240306,2.953467321597146,4.69100595290208,5.862552318365514,6.478805174068877,6.766490751516897,6.874312868531696,2.336440642022528,0.2932640690708645,0.0055688375004423,7.513174192170854,2.3873562959230594,4.659420728195291,0.5252791488106667,5.386150291560086,11.733746787412576,0.6577664999111165,8.115499950097806,0.9603744421631416,25.664360287424827,-1.7980419754958694,-3.5151540850142045,-0.2356361097859144,-8.115499950097806,-0.9603744421631416,-5.604731051971251,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.487397308628697,17.058738726491196,17.563403020239054,18.01676631657049,18.42918273456958,18.80771600536565,19.157278350964404,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_85,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0641045129247086,0.401420710821421,1.4971336046031636,3.564091978253581,5.689274278261004,7.103178336580253,7.842301831216767,8.186416315182111,8.31524546379563,2.798862979578511,0.2852786971718624,0.0040454359500563,9.968410523623351,3.84184074751674,5.620303833084218,0.7364630846273126,7.425039606631501,16.60902254673507,0.8720115180759427,7.120075770362138,1.0851196634257907,33.48467004271905,2.889789699610782,7.017181958639322,0.3414978120702084,-7.120075770362138,-1.0851196634257907,14.91669033251836,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.923190509581037,16.58325336695482,17.17292537195046,17.705609914874852,18.19039871734742,18.633705925491068,19.040286489425498,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_86,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0742763935200437,0.4005912372344988,1.3403103106015168,3.081454758730985,4.867103512121317,6.054197906659115,6.674770072771178,6.963726950975754,7.071914465940879,2.43758751843915,0.2943198202002725,0.0054866327171513,7.76766454442071,2.5772846912241683,4.889087552931076,0.5662519575862515,5.389910896182732,11.79415420393128,0.6405817153935905,7.411587640754495,0.9485350206149727,25.398065991625177,-0.9940268431987036,-1.7253442862662052,-0.1234188856307637,-7.411587640754495,-0.9485350206149727,-1.3419550442272186,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.36518045349554,16.885010085423588,17.35078434812738,17.774128367720778,18.16290717981219,18.52248894895696,18.85660474785628,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_87,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0642229307915643,0.3941222674951126,1.430322653043436,3.348614471158809,5.297767065490887,6.5856251318750205,7.256669110279637,7.568645202710692,7.685374961768583,2.641619574498232,0.2817347865394057,0.0040775703493857,8.800928723975938,3.254451232413098,5.146630784701231,0.6706703206486502,6.43458809186987,14.399402787382645,0.7288987183813981,5.685198458610217,0.9688892994545388,28.88265076919393,2.887899363570482,6.953834244637661,0.3678645116704079,-5.685198458610217,-0.9688892994545388,16.246453534309275,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.532489990536533,17.07569074866532,17.571461244388733,18.0276855891313,18.44946657443726,18.84029376098863,19.20274433070975,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_88,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0613805831004299,0.3677782311319407,1.4211233466331576,3.498273903847916,5.647464015977624,7.075936327691245,7.821869302855767,8.16895640110628,8.298866143797504,2.72553836202276,0.2627104210379982,0.0038351001883101,11.00400671713505,3.4879702115182862,6.677169156843173,0.5977573842638764,6.4733488809256405,14.468786087562007,0.7405482817591756,5.978062109904072,0.97720094982563,29.15690789208072,2.6211879046255726,6.362327990792104,0.3293972224233202,-5.978062109904072,-0.97720094982563,14.76662081532578,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.407594402591156,16.139248885248396,16.80045038424957,17.399581144849957,17.943446714478902,18.43779129482698,18.88759536388176,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_89,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.071117212758219,0.3881180330405664,1.36612183347211,3.152737044966853,4.923233684424715,6.077736678048094,6.676061074485186,6.953626725197074,7.057393054515203,2.500409859995348,0.2828012784448777,0.0051240512348619,8.91321361133714,2.6207276641154267,5.754054273623353,0.5610260844364832,5.431055118588587,11.883936379086382,0.6527427782479688,7.588870079847097,0.9471582775321424,25.62321196058032,-1.0902081602278306,-1.9411893960899536,-0.1420549007937621,-7.588870079847097,-0.9471582775321424,-2.1947068058802675,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.546332272462005,16.218761425589346,16.82782572223025,17.381321913816507,17.88576978607353,18.346649272250986,18.768596339725324,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_90,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.063532005410401,0.3921790198355563,1.39470005841154,3.2418443379209085,5.1423512379055145,6.40903875484999,7.071774455152584,7.380439926108869,7.496015235938978,2.5585218106832555,0.2807244629650121,0.0039808343802718,8.319795337047289,3.033824871490734,4.826360811340786,0.5600929349061586,6.192980475361787,13.91337366680048,0.6946713505668284,4.918605892743395,0.90540461796196,27.549029683232423,3.4853254897716544,8.25486869659443,0.4439528806253412,-4.918605892743395,-0.90540461796196,18.773883235280373,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.46511318936138,17.01958756405279,17.524678218145336,17.98846137763833,18.416207757870843,18.811574942140016,19.177312953795983,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_91,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0748887542123965,0.3988980391756412,1.2700049162751197,2.7607329855556344,4.240812913038209,5.21487266021842,5.722380834342346,5.958401931611284,6.046728902414781,2.2184344678693164,0.2942737983473913,0.0055873824012842,6.279061892871455,1.97983841843768,4.040123859352662,0.5254780511441645,4.944419032829408,10.79108083971471,0.5968039909253067,7.176753820860903,0.8773616119037572,23.451046594461555,-1.3431147520538869,-2.5422626675912805,-0.1731211343634807,-7.176753820860903,-0.8773616119037572,-3.496332790646002,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.148305524285735,16.759682286282413,17.29809698277336,17.779941409555853,18.21647502043585,18.61553325090283,18.982669086095854,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_92,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0642037089258582,0.3941887735648697,1.3541081509042088,3.0282250509629294,4.698251381376446,5.796484547356639,6.368010148673891,6.633620269259053,6.732989487351934,2.417301861052493,0.2830046589188287,0.0040544230534034,7.1564214012450025,2.5422381124133246,4.238485805569439,0.5254460398837788,5.103464100417155,11.50098958698597,0.5451499476175546,3.3219868465807787,0.7561915017799955,22.44598208469737,3.598661415516665,8.4313031312722,0.4786295248452476,-3.3219868465807787,-0.7561915017799955,20.117767287666624,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.171204876165614,15.923636951453402,16.59111394325979,17.18966414825512,17.73052155967064,18.22182782046752,18.66972824334861,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_93,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0742107288298764,0.4003346779982092,1.261692135364754,2.6871713277941027,4.102218480465781,5.044236376327219,5.539014682045567,5.770050407175776,5.856663511440093,2.171010240695872,0.294748288056631,0.0054708445221597,5.919703672617021,1.8878154657719828,3.835707130809969,0.469601367491021,5.595736377774017,12.19949227401873,0.6927600980236244,8.51074620122804,0.9804645210061906,26.6651464085026,-1.874052516732805,-3.674943646529728,-0.2549149379011288,-8.51074620122804,-0.9804645210061906,-6.503479848863768,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.93204930155411,16.572384238774674,17.134814447418986,17.636803375649688,18.09040230212016,18.50403213216301,18.8836866413955,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_94,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0603425111178905,0.3659387871038424,1.4205700147545155,3.4976430197755497,5.653018620391758,7.087515279135596,7.836784069552062,8.185425781108288,8.315915048437395,2.724223893025967,0.2606832485586511,0.0037103264958245,10.877284132377222,3.4643969753106414,6.668452839734536,0.6303378799688153,6.690186610473841,14.967758589928462,0.7592791492463214,5.963591370803938,1.00800152287576,30.050518835548967,2.9443203371835,7.100161750357584,0.3741922563604246,-5.963591370803938,-1.00800152287576,16.572477584542575,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,14.54938819058886,15.37953156598916,16.12628099405222,16.799708796079685,17.408158806157118,17.958733305899393,18.457592825467103,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_95,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0726247964483053,0.3752329149693358,1.2663362823951465,2.918477602441181,4.576727618317861,5.664027666373071,6.228745414192386,6.490946454613493,6.589001838671382,2.3118775595458123,0.2775438305140748,0.005375986623337,8.199968599206173,2.1904448412434228,5.386980944280548,0.4235031813735394,4.4486515117606285,9.69772124818873,0.520549826761251,6.280920077434549,0.8165627332560934,21.07719253459509,-1.1448006098378385,-2.130222577429828,-0.1318614853585698,-6.280920077434549,-0.8165627332560934,-1.7572033895986363,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.587525301659287,16.25237084879133,16.851803189919554,17.395020877543388,17.889390673676186,18.34087704154816,18.754364853667045,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_96,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0748788523778744,0.3968372201405792,1.2877876306260427,2.9357349244674693,4.668410331213585,5.838185245159394,6.453843288363951,6.741317908325068,6.849071095936362,2.3214279515844813,0.2929194330914231,0.0055995373586903,7.455023308150544,2.348053531775731,4.628420900441258,0.5126588805322054,5.38808314061207,11.734948330544476,0.6578963085677564,8.140972766734293,0.9627959764387376,25.68527528185044,-1.8318519471839805,-3.5893704494372534,-0.2395161681644516,-8.140972766734293,-0.9627959764387376,-5.724161403776844,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.790586922239868,16.26823682450287,16.695364945463727,17.08391357836775,17.441656949231334,17.773693359194635,18.08341786884602,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_97,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0640911338761372,0.4014864481210109,1.496818248746457,3.560203423025036,5.680511823787423,7.090997953805905,7.828322969296541,8.171600652746342,8.300116797012148,2.796527003839196,0.2852997957048232,0.0040438112795335,9.93603326970678,3.8333413820674807,5.602628643657043,0.7344771990627377,7.452064184512942,16.66944735138388,0.8755708282097082,7.152495386778349,1.0886207304621984,33.60825321085859,2.8954609986544244,7.031647338964008,0.3417850756923352,-7.152495386778349,-1.0886207304621984,14.92575187275053,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,14.737281740061109,15.461696257823784,16.106708453358493,16.686931654707976,17.212597957520682,17.691134573646274,18.128169746496,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_98,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0741790562395788,0.4009284868600996,1.3391620140228642,3.075894798714199,4.85993414735769,6.047354868958099,6.668445680533183,6.957714750609293,7.066029953915994,2.433361574507976,0.2944978090040365,0.0054688390303135,7.718547882642354,2.56743178820531,4.853732392882565,0.567508903765566,5.40880607048339,11.838885444821978,0.6431166873400681,7.414963976132149,0.949318953574848,25.47464255588105,-0.962207313631692,-1.653913065381413,-0.1199874218281036,-7.414963976132149,-0.949318953574848,-1.234001265004955,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.40911297390027,16.961818935908177,17.454509606923377,17.90006455086148,18.30734215200045,18.68247954383649,19.02979870229776,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_99,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0644767443125564,0.3944525724690291,1.4297960266114516,3.3441755488279457,5.287490318297119,6.570963697287089,7.239611707802782,7.550452374198041,7.666754061325579,2.638917987328577,0.2821146024392426,0.0041107868347273,8.777605315363926,3.2451838833114266,5.134563850840155,0.670505684208235,6.413339837877789,14.350476929090084,0.7260959827059317,5.671075480082148,0.9670588843474952,28.791183079667395,2.867289139666596,6.906882902281314,0.3657427205345841,-5.671075480082148,-0.9670588843474952,16.178818903670226,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.088916720167028,16.715504932193227,17.279163807799314,17.791318843530394,18.25971789804485,18.68983073741156,19.085726344494315,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_100,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0612800115625614,0.3678741369779019,1.423649867651906,3.50325973584694,5.652291367120435,7.079826685993219,7.825102519895571,8.171853288565693,8.301632712539824,2.730003860244232,0.2626470213013731,0.0038224872758378,11.012005784643678,3.497115910860916,6.681715568130466,0.5989291613291569,6.498235972238144,14.526413340855722,0.7440045797864858,5.994832164599704,0.9789263014456516,29.263459638225555,2.646971326163152,6.420761979371171,0.3319021612019021,-5.994832164599704,-0.9789263014456516,14.839874987765128,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,14.332370485343532,15.17746042698317,15.93693628000612,16.621564238816315,17.24012917783166,17.80001161369144,18.30754615311644,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_101,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0711959028989712,0.3888339128496834,1.3673192337991664,3.1496195705945977,4.913307029360507,6.062767171244004,6.6583698222687415,6.934654459564134,7.037939320457673,2.4993097729912224,0.2832688726680162,0.0051338880621263,8.890385168896755,2.617032071299577,5.741556188078637,0.5612444848044126,5.434722751891516,11.892134812202846,0.6543594532083112,7.611792041252564,0.9462660999349756,25.64471059130486,-1.102830442125475,-1.9698985281904984,-0.144725063824071,-7.611792041252564,-0.9462660999349756,-2.3232475048285184,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,14.88642320753016,15.62630642258542,16.29141199050764,16.89223553477978,17.437211811917425,17.933205467993798,18.385874304306004,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_102,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0636440656939925,0.3920028332983021,1.3922048355167145,3.236657458188792,5.135990964360473,6.402229025235901,7.0647647038000425,7.373339342828614,7.488880662313311,2.554069984650439,0.280731305217505,0.0039961637182243,8.304278731892849,3.02363513957879,4.816486113884432,0.5567471465939027,6.178940583966925,13.88262884321374,0.6928490342450261,4.896975438170148,0.9031342026128496,27.482324209956136,3.4894657606888035,8.262938355039031,0.4446105357144715,-4.896975438170148,-0.9031342026128496,18.793976761386723,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.137500617067463,16.76935758686867,17.334677918163177,17.846216745184513,18.3125277432436,18.739588844893625,19.131803805037613,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_103,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.074816574040383,0.3992211162019006,1.2734538479481596,2.7702702146866667,4.2564951978164665,5.234794633630765,5.744599403792044,5.981711246351956,6.070450247470019,2.225755758327307,0.2943697257509382,0.0055758478627738,6.293353475461741,1.9988656524857369,4.042868679412633,0.5306917214554788,4.98696711939866,10.886452102140105,0.6019145834570659,7.217829533207855,0.8833157558730669,23.642608470069632,-1.325656926448272,-2.500189876365007,-0.1711722078158438,-7.217829533207855,-0.8833157558730669,-3.415429224482207,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.937762830293895,16.576706729460135,17.137305490349096,17.637147660384073,18.088403805711028,18.499601511027915,18.87682193432726,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_104,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0643669933491301,0.3927158811518964,1.3464540755266714,3.013766541950579,4.678344628933841,5.772944890933475,6.342504640196981,6.607180137684601,6.706196104459649,2.4050128117986582,0.2822974247103482,0.0040812430022709,7.100526785464417,2.509110553010127,4.214699107983941,0.5184968848069085,5.110572291723733,11.511472784017185,0.5471267134793332,3.3911793262129817,0.7593594634520645,22.50465812194596,3.526003828848941,8.270678485068498,0.4689410654115695,-3.3911793262129817,-0.7593594634520645,19.768160439574228,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.081339714776911,15.846464412340104,16.52325895648552,17.12882234912466,17.67511614581032,18.170772185265964,18.62226437286669,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_105,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0738554945014485,0.4001160395080701,1.263190765415623,2.6903625654374133,4.106897394763726,5.050157398300667,5.545693372513639,5.77710859728115,5.863868200839184,2.17368071430263,0.2943563207099501,0.0054162306178932,5.916868589359697,1.893846701415684,3.830562584539661,0.4715359021190375,5.622310904698674,12.258869689410515,0.6957894269473303,8.53527406712284,0.9845022150928998,26.784878396916127,-1.8633952127298288,-3.649041235616153,-0.2535640514215839,-8.53527406712284,-0.9845022150928998,-6.442493345995873,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.767589748339226,16.43274261960457,17.015821001112386,17.535170320290316,18.003504056459285,18.429743222998987,18.820264258847075,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_106,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0605441555192518,0.3657559223226034,1.4185671402438609,3.492970721173647,5.6447460377473,7.076469363417369,7.824209549142963,8.172125604580472,8.302341219676107,2.72062137841778,0.2607424880679886,0.0037367052538391,10.85543618961127,3.453171939766748,6.651592679472962,0.6266399645428554,6.635972349213955,14.844640450379286,0.7519999405420386,5.911622225967378,1.0023755955673437,29.80968692227833,2.912856318195134,7.027033058212811,0.3713916673884426,-5.911622225967378,-1.0023755955673437,16.48839736190247,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,14.603247139231602,15.40401869068763,16.12588825328895,16.77796626867467,17.367897318594768,17.90226682362522,18.38684473524196,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_107,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0724850580355312,0.3755137013952926,1.2642335802955371,2.912661147224663,4.571047096387801,5.6597795352901965,6.225522393651,6.488251207357831,6.586511514202172,2.3069056996798354,0.2777270172448799,0.0053491463603627,8.17653629618314,2.18243082467942,5.370578123274349,0.4235352868144741,4.477132971057029,9.760526045195988,0.5232988440183806,6.305812396964805,0.8220307436271393,21.206809192165508,-1.1370419255513975,-2.110019016453484,-0.1303469563118357,-6.305812396964805,-0.8220307436271393,-1.6707938193920648,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.254892100835368,15.94693225741142,16.56858980714222,17.13031699610087,17.640342323883324,18.10523954294053,18.5303361980637,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_108,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0747714324558011,0.398162646349762,1.2985045224834308,2.9632220788470187,4.709641988415378,5.88701226299025,6.506239725907229,6.7952919803706,6.903622712462828,2.343125246747245,0.2935147074012287,0.0055791570567644,7.561112315643153,2.4053678883455336,4.6843489953956015,0.5292131555011786,5.411310521423993,11.791445487741544,0.6604038978744373,8.122996601705633,0.963516526738933,25.77078005576304,-1.768288292579361,-3.4470719997362567,-0.2318130474221276,-8.122996601705633,-0.963516526738933,-5.4568130296167405,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.08554135289698,16.587756664105633,17.03540160553123,17.441152750627364,17.813406779252404,18.15777010926286,18.47804458810901,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_109,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0642351222934234,0.4022000894259029,1.499346964144845,3.567369537000004,5.6923068970233,7.105532729038785,7.844177452293548,8.188044101470634,8.316776676814062,2.8019275550481515,0.285834220704087,0.0040601489265331,9.9792882774054,3.851826131918106,5.61848743318454,0.7364293244119606,7.422315791327118,16.603756915889914,0.871486718015127,7.107440039428007,1.0844332942022563,33.468194208625526,2.9006076613680625,7.040987300973138,0.3429748646548942,-7.107440039428007,-1.0844332942022563,14.970279341017378,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.241511868518234,15.84514456894704,16.389693049820252,16.885573769224855,17.339861670028533,17.757561565823373,18.1424117701712,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_110,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0744066788155721,0.4005034189788827,1.3344208132202198,3.065104159548162,4.845392792290368,6.031093514871756,6.651442303874854,6.940394487054774,7.0485951982737856,2.4244540840265354,0.2944445744854939,0.0055062979420496,7.705524864676744,2.542890778373885,4.858431819667039,0.5589669317037187,5.328466104640325,11.658221987983325,0.6321659964533574,7.3208685272003455,0.9400236031334974,25.109867748668208,-0.986488243462304,-1.7128846624380096,-0.121345071608884,-7.3208685272003455,-0.9400236031334974,-1.2630196335102375,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.79274460008013,17.273496998922393,17.706192298440218,18.101376707394408,18.466020001384287,18.80476866412017,19.12077809341516,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_111,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0641534466572666,0.3944470922478916,1.433453427275145,3.357454738852156,5.311798254487493,6.602598705494085,7.275019439750995,7.587599802759938,7.704549891359196,2.648389132103223,0.2818447669075578,0.0040675861114682,8.837950821656252,3.275439754038454,5.166952707892656,0.6725818026772606,6.505177646738353,14.559431458609804,0.738413781462353,5.755708323044661,0.9763490174470472,29.19749844599551,2.925260085067714,7.0410666021785335,0.3710494811030665,-5.755708323044661,-0.9763490174470472,16.339747933420483,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.060506229318925,16.6737992681853,17.226585663844638,17.729761958629556,18.19064617973669,18.614375943912844,19.00477008581329,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_112,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0613752059376442,0.3669446601959067,1.416233365561552,3.4881839881434487,5.632876708629113,7.058401620098378,7.802781105103325,8.14914053610841,8.278777070145331,2.717185723022318,0.2622888672342363,0.0038356766426161,10.969074774324326,3.462585517200698,6.657443726805867,0.591879081848295,6.427988936866388,14.363471150934732,0.7351386397906251,5.964298500435745,0.9731643296770952,28.96754490695412,2.5604770990374406,6.224686970630941,0.3223279526686488,-5.964298500435745,-0.9731643296770952,14.519170857684951,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.296226211767252,16.036557711588827,16.70581725433728,17.312322749142023,17.862885890806012,18.363290126569392,18.81856857399493,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_113,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0710982342895884,0.3881063438753075,1.3670577822463732,3.15597596300663,4.928134618359831,6.08337226784631,6.681985636077835,6.95966628878312,7.063472672190144,2.502859681481042,0.282767797646217,0.0051215507767872,8.9256571167892,2.628443953525835,5.757520431826464,0.5622579951935746,5.426894104295606,11.874241127336711,0.6521127679507553,7.5857014164125935,0.9469717468948602,25.605423105733497,-1.0945930930194447,-1.9510687090294527,-0.1424302960359129,-7.5857014164125935,-0.9469717468948602,-2.2035841337998945,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,14.84200814414885,15.486800781401698,16.07321907229249,16.607922357265423,17.096611237311443,17.54415695011104,17.954732635500537,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_114,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0635937551914302,0.3925207231010359,1.3982953733968533,3.254100494689318,5.163407452061791,6.435512360182869,7.10092659847963,7.410803384781396,7.52682640329814,2.5674952357062693,0.280923597720257,0.003988583818511,8.384706284541812,3.061360202817193,4.859813564199154,0.5633954118422928,6.2246835257878494,13.984190843733744,0.6992700367625423,4.96409767931487,0.9090450866873412,27.696044558652588,3.4862068400243507,8.258686367341632,0.4431876533330106,-4.96409767931487,-0.9090450866873412,18.733161138618986,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.36649554925721,16.939756926306956,17.460824497761635,17.93834003647981,18.378066445548484,18.78404997456527,19.15933163350561,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_115,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0749239839435369,0.3995783836932972,1.273738654715206,2.767586738962655,4.249021180157706,5.22353171793534,5.731190924295853,5.967267028799752,6.055612359246685,2.2244437186304475,0.2946558953436375,0.0055909179410655,6.305006997581628,1.99430351181494,4.056820198514897,0.531067009638642,4.92203446986216,10.741105985667566,0.5935120176578934,7.143681144251159,0.8748280049912471,23.346947615873724,-1.342897725123784,-2.54306274391326,-0.172437106512202,-7.143681144251159,-0.8748280049912471,-3.461271730079614,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.415576895590313,16.99513558261563,17.506959423243895,17.96637352406063,18.38380926957288,18.766461237747816,19.11938499429281,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_116,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0641736999961241,0.3940883434130351,1.3539442482283237,3.0287265428554577,4.7002993632999965,5.799909361735282,6.372240995403305,6.638243990184333,6.737762989758816,2.417444338910499,0.2829250495925222,0.0040506841688295,7.162034150937096,2.5434597834082857,4.24168815484053,0.5250877450871135,5.117419277352757,11.531531890378249,0.5462361882096242,3.331787990339469,0.7593346619485648,22.50933599041864,3.602901845625141,8.442438021012208,0.4796839439054225,-3.331787990339469,-0.7593346619485648,20.180007439771583,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.209384152610012,15.956148549133315,16.619520635057878,17.21503412807612,17.753587242912225,18.24309600166397,18.689554583909327,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_117,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.07423153305236,0.400219727281293,1.2612524352603411,2.6879771613244494,4.104746465271041,5.047766266984401,5.542998211356639,5.774227776374729,5.860910590872626,2.1712252890400023,0.2947090969759647,0.0054740573713776,5.928500353879647,1.8916155279473,3.8364827916382778,0.468137802555651,5.607441018797717,12.223930163575549,0.6946259435856492,8.544070299639317,0.98271143557527,26.72701596006679,-1.895238472685962,-3.721098568802504,-0.257896232278384,-8.544070299639317,-0.98271143557527,-6.61126019517438,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.034922421346057,16.661853891751228,17.212964883428487,17.7053354889427,18.15071222332155,18.55727257967208,18.93081488289234,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_118,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0604733690353306,0.3662363604212825,1.420998837910522,3.498678963492939,5.654629311719621,7.089443452489664,7.838861454803447,8.187569332054611,8.318082876628264,2.725026486731665,0.2609612261688865,0.0037261723104092,10.879682756779289,3.464866271361492,6.669657096248671,0.6308478825732556,6.684588192870305,14.9552594269662,0.7588553702059693,5.961844992996198,1.0068857033190275,30.0261478835906,2.939658869285664,7.089160558068166,0.3734089900476741,-5.961844992996198,-1.0068857033190275,16.535524578050264,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,14.655828930850896,15.466318549476489,16.19716717257484,16.85752808372104,17.45508818183908,17.996474475500477,18.487498148036146,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_119,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0726048726538274,0.3751383570222554,1.2657053630938218,2.9176634611383645,4.576840239244291,5.665168129629339,6.230519854801814,6.493035375520398,6.591211431318238,2.310980024500643,0.2774855835841997,0.0053730092764514,8.203859410582867,2.190027465894481,5.390194435137646,0.4230745739736736,4.450992877618109,9.703654801467277,0.5208712993176463,6.278303772105374,0.8163979552526479,21.08513463806359,-1.1364752525417434,-2.111723910344236,-0.1309280493086622,-6.278303772105374,-0.8163979552526479,-1.727842563857206,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.537041360553795,16.20641681586152,16.809449288328658,17.35558022505948,17.85234151666393,18.30581415383621,18.72096787563119,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_120,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0748228146141281,0.3966528738786729,1.287964883276162,2.9368714991188254,4.67027593412936,5.840459050584992,6.456321160282046,6.743890098496477,6.851678582195222,2.3222409983652392,0.292759538929924,0.0055916938303807,7.457631831812263,2.349699971325256,4.629907752467865,0.5130489767344969,5.392988235910915,11.745565164559638,0.6584889083010467,8.14881518561535,0.9637229656802658,25.708899021202605,-1.834202120580336,-3.594135213042788,-0.2398081888503903,-8.14881518561535,-0.9637229656802658,-5.731499379097693,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.160738592064114,16.627416021983258,17.045866655839266,17.427444446342836,17.779496882575913,18.10681305988687,18.41256316705897,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_121,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0640510643846572,0.4013701414105142,1.4957946518068912,3.558021345426456,5.678034412250005,7.088604189283041,7.826031772415181,8.169368321728868,8.297908151600756,2.79464330472906,0.285224239507996,0.0040383360073527,9.92551215109954,3.828340775426253,5.596668254071085,0.733288087898962,7.446362222198648,16.65706511857469,0.8746968110521149,7.1406845630785964,1.0877929854886546,33.58018503722475,2.899911653478726,7.04116344129445,0.3425118802040466,-7.1406845630785964,-1.0877929854886546,14.953712457542364,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,14.844300875190692,15.570803985690729,16.21748526100687,16.799060260848545,17.325833768578192,17.805285751491976,18.243083608979248,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_122,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0742411614991408,0.4007683375007504,1.3364718548783197,3.0687502174888346,4.849508291999117,6.035217426989967,6.65551829782035,6.944439788705168,7.052627881246756,2.4276953324442703,0.2944855855514093,0.0054785321291857,7.688668214911121,2.5524402097858725,4.838538349092306,0.564497847996387,5.391566877855595,11.8002704857148,0.640712222011703,7.392657693439555,0.9472923277495842,25.395530909023144,-0.9650403504669072,-1.6612737190635736,-0.1199443952600926,-7.392657693439555,-0.9472923277495842,-1.227450695489705,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,12.33059390090698,12.83908741287112,13.296235998936757,13.712764805034285,14.09600446593524,14.450986327271403,14.78121747437948,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_123,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.064433585799078,0.3945708844746777,1.4294879118369936,3.342021682308882,5.283768533457814,6.566393460164687,7.234644122006687,7.545308737298895,7.661545845770592,2.6374303704378947,0.2821690763633427,0.0041042230109596,8.762372760428308,3.240120016522499,5.125767774547755,0.67000860184155,6.419175636290106,14.36424173229264,0.7266412450260531,5.668646303587013,0.9676206512729698,28.81404853499477,2.8793416953345417,6.93409152667674,0.3673019704591997,-5.668646303587013,-0.9676206512729698,16.237173925154902,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.904511625803442,16.534813680392155,17.102116468266296,17.617720195227975,18.08930586635468,18.52231580957329,18.92081659984764,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_124,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0613274593793921,0.3678720559595665,1.423291967138878,3.5025190607186287,5.651265436948487,7.078630320574431,7.823821250468218,8.170533417015177,8.300298540232848,2.7293833462907795,0.2626837299208199,0.0038287372733571,11.00341995776476,3.49347818511425,6.678250484818976,0.5989326825860533,6.501073877599655,14.532998254858224,0.744397258582168,5.99661098721601,0.9791159804338692,29.275548908477777,2.6500841477084136,6.427807256104831,0.3322095679246636,-5.99661098721601,-0.9791159804338692,14.84897973546513,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,14.234921382149276,15.091463870168427,15.860685416163102,16.553630245655043,17.17932005781734,17.745332864793973,18.258166347159943,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_125,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0711829482566501,0.388864648222839,1.3677380012430644,3.149977010716817,4.912837918841382,6.061446779224086,6.656527030536414,6.932552195369162,7.035737385566544,2.4997942111197085,0.2832619544566948,0.0051326717705796,8.889564149389985,2.6173536523992484,5.741676906482817,0.5621154259831447,5.444479908235056,11.912589156416898,0.6557002968384303,7.635402534487601,0.94834473110189,25.69505966694783,-1.1170169312572849,-2.0004982969356853,-0.1465870054292806,-7.635402534487601,-0.94834473110189,-2.384995912422049,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.00323927632854,15.718754500979122,16.364287691253697,16.949144669659407,17.48091714421908,17.96585950076914,18.40917935931845,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_126,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0636370305698464,0.3919537540440942,1.391960816825267,3.2359687675864848,5.13472492538733,6.400539918991953,7.062847567235832,7.371314977033188,7.486816013773229,2.553561834248708,0.2807001012621451,0.0039953162855392,8.299476481750363,3.0220784218222154,4.813664547667525,0.5563596471867919,6.176179069036121,13.876547563725554,0.6925928564204539,4.894665119408218,0.9025862323531938,27.46976694468484,3.488684732368552,8.26090540899486,0.4444499437448017,-4.894665119408218,-0.9025862323531938,18.78476500103702,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,16.052810463758266,16.692596568318855,17.2643828168128,17.781251796114685,18.25200458639488,18.682805241186724,19.07819821322112,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_127,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0748197018786467,0.399200903596854,1.2735026747427451,2.770649858142121,4.257171792769539,5.235658338319521,5.745564117933511,5.9827244424393005,6.071481879157593,2.226014914097726,0.29435864535395,0.0055764749230675,6.293219051905678,1.999086075295788,4.042865123104381,0.5309327156170092,4.985142249370892,10.882529613273404,0.6014662242494624,7.210970983529549,0.8832283163278754,23.63276071693594,-1.3217824146017465,-2.491572665430205,-0.1704827142766217,-7.210970983529549,-0.8832283163278754,-3.3854521314770065,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.954378268802197,16.58942402515005,17.146857580539635,17.64409676347734,18.09318055861416,18.502537455644244,18.878174819516587,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_128,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0643392836952163,0.3927725992442257,1.3468281953288244,3.014391397408797,4.679124058174045,5.773815086636119,6.343420978830173,6.608117777319599,6.707141694489933,2.405566754889217,0.2823094826924018,0.0040772688252863,7.102524375285333,2.510579448249316,4.2153660484863735,0.5189280702156921,5.116924232733124,11.52581320818803,0.5479905299863722,3.3981296891811423,0.7600601374198052,22.533261771944147,3.528594043811069,8.276820145421748,0.4691292672541211,-3.3981296891811423,-0.7600601374198052,19.77311757631535,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.123179703043409,15.883410869530694,16.556312619909697,17.158730679255488,17.702437443329863,18.19592625388288,18.645570628597287,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_129,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0739266337233958,0.400145207114193,1.2639839405091344,2.693174515593725,4.111173692985267,5.055112536093,5.550929167609058,5.782459818091376,5.8692602898526784,2.175805840430247,0.2944018003016215,0.0054278200532348,5.931713751470557,1.897693181191397,3.839862054287224,0.4726314646655883,5.612353081456531,12.236303099475082,0.6945239636490935,8.526515671068601,0.9833519371064056,26.740750847492315,-1.8694784953839032,-3.663216935557197,-0.2541857770523139,-8.526515671068601,-0.9833519371064056,-6.464090077056944,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.753584789274182,16.4156615203597,16.99615102575689,17.513309344503618,17.979774914046008,18.404408619970063,18.793539560269323,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_130,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0605562251502144,0.365599851021567,1.416963050636641,3.4884272014867435,5.637444357249514,7.067488225336538,7.814396413820758,8.16193536416828,8.29201143483552,2.7171419197162177,0.2606824999508308,0.0037383236540088,10.82584337283546,3.440713101099569,6.635651572658125,0.6250574963464552,6.638756845018354,14.851238625589463,0.7523536982868653,5.911745259253493,1.002510934403,29.82086363906188,2.9178514820663395,7.038254259845523,0.3719531637230986,-5.911745259253493,-1.002510934403,16.506844929330043,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,14.626855286978223,15.425291266503312,16.144570795820744,16.793950206119327,17.38119213762798,17.912963363800205,18.395083347140098,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1572_131,RSM1572.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0724668583160971,0.3754002411067468,1.2629414060018258,2.9085593407684187,4.564171519817057,5.651158584040134,6.216018536251954,6.478342767849725,6.576452631444337,2.303843875313828,0.2776669569804754,0.0053463303903058,8.162811459253575,2.1766778617967257,5.3629941688179,0.4216001821283644,4.484612075982572,9.77610724956012,0.5244445141147782,6.326622370456729,0.8235449223260006,21.246287470690824,-1.1504221665201422,-2.139116823257787,-0.1321868777074335,-6.326622370456729,-0.8235449223260006,-1.735811243086589,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1572,15.544139365516662,16.199226703341488,16.78985657318719,17.325259373180753,17.812756184193756,18.258227518292685,18.666460413167613,[Mn].[O-]C(=O)C.[O-]C=Opcu.cat0,"linker [O-]C(=O)C, [O-]C=O, nodes [Mn], topology pcu"
RSM1289_0,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,47.0,107.8682,5.0,11.0,1.93,145.0,0.0006441925003285,0.0661306877575241,0.721904854539383,2.577914468317938,4.7764408634848925,6.315209251386576,7.135446044476585,7.520353076275734,7.664906838749737,1.8419816183527689,0.0314090326345886,2.044837864626639e-07,7.73584209427627,1.7441083390089622,5.133337420309529,0.1423302341405856,35.64237210686535,83.35198507123584,2.787427725865581,4.642332802401089,0.7014103151853357,71.59265786729966,-35.64237210686535,-83.35198507123584,-2.787427725865581,0.1605697766854535,0.7014103151853357,-71.59265786729966,0.0,0.0,0.0,4.0,1.11,0.0,-46.0,-106.86026,-4.0,-10.0,0.0,-114.0,RSM1289,21.80862458749748,21.93206285475909,22.027797991620112,22.10350706440388,22.16439071873436,22.214069760557862,22.255126180809736,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_1,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,47.0,107.8682,5.0,11.0,1.93,145.0,0.0004453417930615,0.0661461710496123,0.7544342613296329,2.60766135283586,4.718390560433545,6.166464013498498,6.931444124192223,7.289026555019568,7.423105273717261,1.8842232282498816,0.0300913653558289,6.357427460033914e-08,7.418201836687935,1.6856113807500337,5.003361464685685,0.162463795579141,37.654852415754135,88.13419285571577,2.930878962172736,4.803065723819933,0.8303444183873301,75.18623002133074,-37.654852415754135,-88.13419285571577,-2.930878962172736,0.8407659316245342,0.8303444183873301,-75.18623002133074,0.0,0.0,0.0,4.0,1.11,0.0,-46.0,-106.86026,-4.0,-10.0,0.0,-114.0,RSM1289,21.944195445789493,22.023847978325865,22.08522689337725,22.133511429829458,22.17217138886856,22.203600679417544,22.229493547885685,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_2,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,47.0,107.8682,5.0,11.0,1.93,145.0,0.0012108331001502,0.0741993101546946,0.6787562299753053,2.427591152189397,4.58299906060858,6.121152739966028,6.947568671130765,7.3366184440648,7.482912653327401,1.723581091366103,0.0382931286643549,8.395588304848475e-07,7.127062162200621,1.5413257382612284,4.715564181995371,0.1217537415222573,33.86201094590902,79.18028406276477,2.6688563610202176,4.636963411523131,0.671160312519701,69.29147474338647,-33.86201094590902,-79.18028406276477,-2.6688563610202176,-0.1949286199596438,0.671160312519701,-69.29147474338647,0.0,0.0,0.0,4.0,1.11,0.0,-46.0,-106.86026,-4.0,-10.0,0.0,-114.0,RSM1289,21.387969372417324,21.569928861950643,21.71304690223555,21.82754360105489,21.92051351993237,21.996996430730995,22.060647312344173,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_3,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,47.0,107.8682,5.0,11.0,1.93,145.0,0.0006442469859791,0.0660612508988426,0.7210039293447729,2.575176969950256,4.7720394711171,6.3098318260257935,7.129595009608842,7.51428946586361,7.658764892012225,1.8399054224741964,0.0313812857702293,2.0489086301997329e-07,7.721196276337622,1.739970035308795,5.124699527658776,0.1420014033618659,35.644530359964925,83.35710167989856,2.787551298842744,4.64215579900542,0.7015099705463775,71.5945037020268,-35.644530359964925,-83.35710167989856,-2.787551298842744,0.1616591185812017,0.7015099705463775,-71.5945037020268,0.0,0.0,0.0,4.0,1.11,0.0,-46.0,-106.86026,-4.0,-10.0,0.0,-114.0,RSM1289,21.81009251222592,21.93336318199258,22.02896954952364,22.10457761321048,22.165380611480003,22.214994248527088,22.255996911932463,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_4,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,47.0,107.8682,5.0,11.0,1.93,145.0,0.0004471567026476,0.0662815214648789,0.7551106741285707,2.608640646819655,4.71919032783575,6.167007556177125,6.931825488344945,7.289327091621437,7.423374761282862,1.8851689222160133,0.0301638248211578,6.395329830097873e-08,7.420675671769295,1.6869842980950385,5.005139007455545,0.1628530128143415,37.664501607727786,88.15673892554712,2.9317052466002176,4.805114939924335,0.8305631312685092,75.21008793097236,-37.664501607727786,-88.15673892554712,-2.9317052466002176,0.8396619212912395,0.8305631312685092,-75.21008793097236,0.0,0.0,0.0,4.0,1.11,0.0,-46.0,-106.86026,-4.0,-10.0,0.0,-114.0,RSM1289,21.93832079471576,22.01846805864188,22.080231977674377,22.128821469861524,22.16772677718497,22.199356204069343,22.22541434434506,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_5,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,47.0,107.8682,5.0,11.0,1.93,145.0,0.001214173662835,0.0743257704936262,0.6797813761684627,2.4302869609134383,4.586932022239201,6.125727397416578,6.952439576560408,7.341619928688383,7.487961944555523,1.7257177889171718,0.0383615459299833,8.440912698109709e-07,7.142266055937018,1.5458601788900377,4.7242426345424136,0.1221364993038918,33.850778286546976,79.15367355328435,2.668172544073768,4.637440704368353,0.6706358993786422,69.27937434866979,-33.850778286546976,-79.15367355328435,-2.668172544073768,-0.1998967118811236,0.6706358993786422,-69.27937434866979,0.0,0.0,0.0,4.0,1.11,0.0,-46.0,-106.86026,-4.0,-10.0,0.0,-114.0,RSM1289,21.384093442384632,21.56637323048446,21.70975018879093,21.824458930649826,21.91760453683496,21.99423453699208,22.0580097221229,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_6,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417433566737278,0.5271037591060554,1.4788652432968437,3.087548946075503,4.729899911172179,5.840522183837961,6.427785774807056,6.702767078118732,6.805968369070796,2.4990463021499694,0.4093243316955437,0.0200836195019814,8.502226356243906,2.521089305425229,5.625989824482313,0.5714423350463742,3.987782788517322,9.02437388031513,0.5306975032664657,4.992775899789809,0.1785643902624742,20.259875441227617,3.987782788517322,9.02437388031513,0.5306975032664657,4.992775899789809,0.1528303177032978,20.259875441227617,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.694725386672624,4.302148427085263,4.930022010051858,5.564351288058337,6.193895071815287,6.8102702964851645,7.407702782351048,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_7,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141886897474797,0.5093234714713231,1.3966496239267463,2.966658001953998,4.6502525596324285,5.817823143082713,6.441829004156999,6.735312620198994,6.845653156281983,2.381233955476488,0.3991840903032189,0.0202971964052208,8.850406420144406,2.2002862693602383,5.899238464565902,0.3006562314713014,1.807730328185423,3.963837033687045,0.3476937880137485,4.589280632295411,0.155630905981985,15.299913520035282,1.807730328185423,3.963837033687045,0.3476937880137485,4.589280632295411,0.155630905981985,15.299913520035282,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1289,4.031590048959536,4.709174746412524,5.396297881601603,6.0780840033773575,6.743508606036389,7.385076844685201,7.99825284033241,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_8,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410432547982298,0.5088387899268492,1.4041548135319084,3.016727382160952,4.785057071262768,6.0268239315232695,6.694322398165595,7.009058171446676,7.127512289548861,2.4104438179986696,0.3981600047762015,0.0200690993004736,8.301525128623664,2.233573280999122,5.605626902617978,0.563427449723958,8.587132257576346,19.3572375344818,1.1261954257124975,10.98187498008696,0.4934555463950398,42.12373209617133,8.587132257576346,19.3572375344818,1.1261954257124975,10.98187498008696,0.440926088028536,42.12373209617133,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.177716980256746,3.775705603245182,4.406588968040246,5.05375567671469,5.703154015727544,6.343882499302238,6.968129587459002,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_9,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408395983510596,0.5305066942966599,1.5260594295983358,3.167818311689025,4.7898018787005965,5.869871319024576,6.437535321367372,6.702701174616439,6.802125105061878,2.575123679743567,0.4098460625166794,0.0198302072974791,8.87863097465912,2.7543058927211583,5.83586278903014,0.5689666837394235,1.6531270253270651,3.628840316680839,0.321872945879792,4.2281105923654,0.1340990560626987,14.26547108495011,1.6531270253270651,3.628840316680839,0.321872945879792,4.2281105923654,0.1340990560626987,14.26547108495011,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1289,3.5102881661159584,4.110679939602914,4.735380553280219,5.369653989563687,6.001567203332574,6.622142270266613,7.22511783919122,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_10,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417813870550809,0.5136022794584885,1.4481886273144469,3.019387787604328,4.592085347737775,5.647569096777074,6.204590619607804,6.465284294064642,6.56311048521735,2.4491816897336265,0.4006087408977097,0.0202723393832226,8.630814835721313,2.3400894261634138,5.758621776299233,0.4378344271039475,1.331698915862082,2.9304727126981365,0.2663397831724164,3.4624171812414133,0.0932189241103456,11.985290242758738,1.331698915862082,2.9304727126981365,0.2663397831724164,3.4624171812414133,0.0932189241103456,11.985290242758738,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1289,4.145223244999061,4.816462234788042,5.497071933661324,6.172382276115211,6.831512585350971,7.467066141907839,8.074570292048646,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_11,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409743818353292,0.4921144965375337,1.3611423025114355,3.0559310979722807,4.923278200940001,6.216703530004566,6.905658548287148,7.229067128313779,7.3505540187818035,2.412533627490113,0.3890348111248639,0.0201128639352101,8.74672579219605,2.2431067944099747,5.855798353640743,0.4415043323555506,6.534548559992416,14.823932232803989,0.8109776958638899,7.115014335552561,0.2939487974050851,29.65556018472289,6.534548559992416,14.823932232803989,0.8109776958638899,7.115014335552561,0.2470374425914155,29.65556018472289,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.4596134835025745,4.076105452934146,4.716755785672711,5.366240689250013,6.01211920064477,6.645054234861184,7.258581878655703,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_12,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414081477486724,0.5054821562544894,1.4650841382826123,3.3024912696217887,5.244481923387603,6.555605180285727,7.245595146816437,7.567775130081541,7.688537412360388,2.614896629890028,0.3959174794761403,0.0201831433553512,9.95662242840213,2.9024401533779924,6.4168331855528935,0.4241619459467268,3.751374408587065,8.290446898677711,0.6097554969651655,7.51771212804724,0.3309315375463711,24.972324515224987,3.751374408587065,8.290446898677711,0.6097554969651655,7.51771212804724,0.3221032819819443,24.972324515224987,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.255776879705816,3.863224328693964,4.49847532516357,5.145828080326599,5.792296078867572,6.427967636793823,7.045847349329933,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_13,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141284555591472,0.5006917481401039,1.442539870133687,3.36251682589917,5.5288229766796935,7.042016084051501,7.850185530196169,8.229896273358953,8.372578164692037,2.6256913678640883,0.3931821519867066,0.0202165426729444,11.952101457509496,3.067877440904307,7.739084955713711,0.3602801476334623,2.933345084574899,6.492876559921783,0.5487776411443048,6.847694035681202,0.1878421169573712,24.19558915421332,2.933345084574899,6.492876559921783,0.5487776411443048,6.847694035681202,0.1840631320140477,24.19558915421332,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,4.004929325298756,4.681412438067291,5.367561031560541,6.048643600893939,6.713678661619014,7.355166659720509,7.968545802410452,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_14,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413473398806229,0.5164020102481334,1.433255473908908,3.167702597630993,5.07961312361453,6.406713741619659,7.1141462804886615,7.446309194206428,7.571094593495634,2.5102073530792697,0.4040390261249279,0.0199812014692837,9.945966653965105,2.787814533079011,6.337476259724831,0.3652181041486235,6.318199558454609,14.250445641579168,0.8811317554663882,8.784761459195654,0.3108474791740468,34.40115887201183,6.318199558454609,14.250445641579168,0.8811317554663882,8.784761459195654,0.2744571003914787,34.40115887201183,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.4343278857050774,4.0527017084618056,4.692314435319914,5.338704874064941,5.9802935930662935,6.608465670244638,7.217295865178247,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_15,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400687964169211,0.5160000216294712,1.4400686833371403,3.163397019429389,5.060391541065648,6.383731872551737,7.091690534948473,7.42470016751288,7.549901108141144,2.5119842400036703,0.4029097669102742,0.0196095409048476,9.899501467163862,2.7769958095777194,6.35377651101379,0.4206934148779167,7.265627529756148,16.49152464374458,0.918572528955944,8.096490221240131,0.301732498154372,34.10626176887753,7.265627529756148,16.49152464374458,0.918572528955944,8.096490221240131,0.2499741529824847,34.10626176887753,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.554582013556687,4.167905153351925,4.802298574775717,5.443514199715072,6.080117486281021,6.703593808773463,7.3080890463001795,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_16,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422547816720792,0.5115381396348889,1.576855790805363,3.695617032925584,5.944297855704555,7.462280336729502,8.260864992896852,8.633677772310135,8.773405975273871,2.900257320990147,0.398063547129452,0.0204919649112635,12.87600491457949,3.852931632577776,8.10587642650413,0.5753511425939691,4.9940509452567445,11.207914472683962,0.7341776828662063,7.832266058493659,0.2862190045944445,29.278847874061523,4.9940509452567445,11.207914472683962,0.7341776828662063,7.832266058493659,0.2621158953468844,29.278847874061523,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.639061491267747,4.343315049235056,5.058630514382279,5.768420410991095,6.460577158716898,7.126996086209003,7.762857192571048,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_17,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1388735662821904,0.5017387936139308,1.4663679733664483,3.3501965324933334,5.4116067277072215,6.836193112169069,7.594470646153369,7.950328433594304,8.083991592157759,2.6372598231794018,0.3919966820551251,0.0194912585402784,10.049164009510555,2.924722599337305,6.468172596581353,0.5822817167716818,6.05896908848045,13.603328958095606,0.8185582949108829,8.432792525100142,0.3984180614337954,30.93331089328177,6.05896908848045,13.603328958095606,0.8185582949108829,8.432792525100142,0.3652664852832015,30.93331089328177,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.034671796207877,3.631276981217613,4.26388660930465,4.914992068560198,5.569840345032584,6.217022521658207,6.848379954915654,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_18,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415230409787194,0.5231900124985096,1.4705708412712064,3.036666009947612,4.585240457413579,5.614769394150601,6.155352874812391,6.407764660434033,6.502390938818888,2.4705417318618093,0.4065715235233731,0.020074664578216,8.31438031914169,2.4354723520296786,5.530859660951827,0.5340607135736978,3.5207195255940045,7.936648184594591,0.5053719978491822,5.127479784131629,0.1669550177132442,20.0653511384194,3.5207195255940045,7.936648184594591,0.5053719978491822,5.127479784131629,0.1476085987265067,20.0653511384194,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.6399466462780494,4.253726882200027,4.888156102688679,5.528862007158325,6.164373761643152,6.786186412783237,7.388477827864604,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_19,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411924809083053,0.5020734907315871,1.4247319779854866,3.0269419075864628,4.645472313549727,5.7307495202491285,6.302554081141905,6.569915105808485,6.670200948858279,2.4419205678227685,0.3930542077129247,0.0202296853926673,8.990123204099548,2.416012486307252,5.962261686484651,0.4006480925940553,1.4966793448818685,3.290409367965104,0.296293749834658,3.8670293435591327,0.1111560043393335,13.257165764016715,1.4966793448818685,3.290409367965104,0.296293749834658,3.8670293435591327,0.1111560043393335,13.257165764016715,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1289,3.878355139697225,4.559574341323208,5.252225738482911,5.940757510266754,6.613601892272201,7.262859243666635,7.883709025452494,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_20,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1397399243920755,0.4867636454401569,1.3083382609827414,2.899589104180848,4.669638923547344,5.901651054819673,6.559155534145321,6.86803719645607,6.984102010188932,2.29345888788451,0.3859022204620894,0.0197687732013399,8.043009407394553,1.9508017671423368,5.419624859371186,0.3553294556042657,6.232583608703455,14.04075927269174,0.8118491536013884,7.945833386548021,0.3737885153355129,30.1667988977249,6.232583608703455,14.04075927269174,0.8118491536013884,7.945833386548021,0.3358174349896021,30.1667988977249,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.236022044085148,3.8313055103165583,4.455764396642769,5.094133904513558,5.733592209365445,6.364216783382973,6.9788983965926095,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_21,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.142189947781508,0.5040517022893152,1.4727827452553166,3.4348665167765047,5.585554586337588,7.059556835694706,7.839744620240982,8.20487039501544,8.341851508094312,2.6887374382077622,0.3955293151277157,0.0204371993666568,11.533095839970184,3.15706421748215,7.465006911425526,0.39446673206669,5.335435436048841,11.964554180896238,0.7927239538589146,8.546678099073953,0.3111031460892282,31.75989861844096,5.335435436048841,11.964554180896238,0.7927239538589146,8.546678099073953,0.2862429042857436,31.75989861844096,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.23662175866857,3.8676715775782977,4.523438365670858,5.187958502848045,5.848311136635217,6.494838569138272,7.120890257334259,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_22,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141377773239554,0.508760196104643,1.4562244698970297,3.1592495283622064,4.930073756802178,6.130464453657631,6.765053339606276,7.062097772830794,7.173560438352578,2.529487130848773,0.3973348461139276,0.0202083208461104,9.668076944422214,2.5563652583044774,6.353137579825104,0.4289063476368636,1.3206124457967972,2.906076358823034,0.2641224891593594,3.433592359071673,0.0924428712057757,11.885512012171176,1.3206124457967972,2.906076358823034,0.2641224891593594,3.433592359071673,0.0924428712057757,11.885512012171176,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1289,4.026013617696501,4.703714058026303,5.3908710501526365,6.072715493908896,6.738273425620466,7.380074089444346,7.993593544720184,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_23,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398222977684297,0.5110882719680973,1.531754300324131,3.460049423931556,5.461562365440502,6.803457589593549,7.507912193577094,7.836538793078454,7.959672934316583,2.744121402698777,0.3975457915111751,0.0196791972417861,10.65245003704517,3.269017623069759,6.748906176089975,0.6519165110221973,2.2738931716453625,4.976846169748836,0.4284049035401189,5.701132399966314,0.2145573566719777,18.61887738958152,2.2738931716453625,4.976846169748836,0.4284049035401189,5.701132399966314,0.2145573566719777,18.61887738958152,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1289,3.4295487359393806,4.027329768162016,4.651895415996551,5.288080017267953,5.923402099315711,6.548365127098932,7.156279784106133,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_24,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416537053781737,0.526705782360531,1.4777877189923267,3.085478816421544,4.726567857686606,5.8362405179815005,6.422984061783685,6.697718950290193,6.800827370648119,2.497365979867779,0.4090350889887327,0.0200612621809677,8.493211752030248,2.516326223943714,5.621253928189901,0.5703815202668184,4.0023557825175065,9.058059508509032,0.5321085213843859,4.999051350598795,0.1787471149451324,20.30421532831365,4.0023557825175065,9.058059508509032,0.5321085213843859,4.999051350598795,0.1528575089801816,20.30421532831365,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.693665813089333,4.301048815357127,4.928917061816334,5.563264317373508,6.192840445138589,6.809255651264823,7.406730873785168,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_25,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141852973566084,0.5095397479268141,1.3978724153359408,2.969298691284899,4.653520032640248,5.821115319074416,6.445029628839237,6.738448522574615,6.848761385005809,2.3834457708004426,0.3992946166407931,0.0202844568369036,8.859668147427053,2.205039368957902,5.90523290058478,0.3024738213151709,1.8053009977514265,3.9585600891844543,0.3472753115810224,4.583503490399607,0.1553193345780518,15.282766821914434,1.8053009977514265,3.9585600891844543,0.3472753115810224,4.583503490399607,0.1553193345780518,15.282766821914434,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1289,4.033036910626207,4.710673534934394,5.397805664821006,6.079568529807425,6.744947536722507,7.386455933222232,7.9995639664114035,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_26,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409566555715688,0.508781155517679,1.4041253531557008,3.0162348259390805,4.78390133727299,6.025196917429613,6.692444436876702,7.007062592441627,7.125472563470103,2.4101594976212954,0.3980799334381632,0.0200439141615266,8.29788118293098,2.2321938941367603,5.604711205320732,0.5639789904339205,8.580020781304412,19.340953705911307,1.1254577154372951,10.977148686407864,0.493210391286468,42.09985035610735,8.580020781304412,19.340953705911307,1.1254577154372951,10.977148686407864,0.4407467403756848,42.09985035610735,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.175742654892138,3.773632006912299,4.404459834732847,5.051607350596539,5.701015620600898,6.341776601275379,6.966073086004556,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_27,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408200617440592,0.5309421124105196,1.5281424065950828,3.171420472818248,4.794001808959031,5.874155221601613,6.441786249693741,6.706920740616657,6.8063304418790445,2.578313734123668,0.4100772505002508,0.0198215398073995,8.891029216354426,2.7627176335280232,5.843194596845324,0.5724285069055913,1.6545215251372256,3.63192841206554,0.322170839582734,4.231888241799097,0.1341567841934992,14.279351145105249,1.6545215251372256,3.63192841206554,0.322170839582734,4.231888241799097,0.1341567841934992,14.279351145105249,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1289,3.5110976870145887,4.111689425395972,4.736546558910858,5.370937216110886,6.002933590147691,6.6235631332813245,7.226569535740293,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_28,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415747996590615,0.5129781477082993,1.4464377445799514,3.016723998399414,4.589123870132728,5.644542712037556,6.201549459268492,6.462238875259385,6.560063787201602,2.4467439820530967,0.4001341282779489,0.0202162151810535,8.624509984114745,2.3347095086772374,5.754875891811517,0.435145721908773,1.334231051021096,2.936044807786575,0.2668462102042192,3.46900073265485,0.0933961735714766,12.008079459189863,1.334231051021096,2.936044807786575,0.2668462102042192,3.46900073265485,0.0933961735714766,12.008079459189863,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1289,4.129797249493067,4.800707558206615,5.481204597673016,6.15657971945073,6.8159170221247845,7.451788681792398,8.059695241357343,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_29,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407734121690665,0.4919104694057487,1.361465751303664,3.0569317775212896,4.924574540148347,6.2180675940685495,6.907030632711317,7.230437786758872,7.351923380837176,2.413341445009212,0.3887961077818063,0.020055255455559,8.75004391480305,2.246093084530009,5.856965164207626,0.4424180514616963,6.534180210370547,14.822828628932209,0.8109854277136829,7.117043906107002,0.2942285578351044,29.65574451255025,6.534180210370547,14.822828628932209,0.8109854277136829,7.117043906107002,0.2473357541288481,29.65574451255025,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.450008024541529,4.065548025661776,4.705363895282281,5.354163039682693,5.9995183918277295,6.632092038067324,7.245408887818095,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_30,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414859507738486,0.5052229589696172,1.463196932024321,3.29916285308254,5.240809389921282,6.5520304749274265,7.24214107242035,7.564390556861383,7.68518085410458,2.611921334512557,0.3958327928259622,0.0202065961533592,9.945766045100568,2.8949588247742715,6.410801780841582,0.4221366774230441,3.75472541980809,8.297931679452294,0.6102404175771496,7.523078765636389,0.3311750519156842,24.99126800880841,3.75472541980809,8.297931679452294,0.6102404175771496,7.523078765636389,0.3223319960747136,24.99126800880841,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.2622851091132223,3.8700503210253134,4.505493731462146,5.152926912259396,5.799381756652896,6.434965846755827,7.052701615370184,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_31,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413807686335476,0.5006564897918587,1.4425441069921676,3.364115785282972,5.532408690313618,7.046864645164808,7.8556587584739646,8.23565115516505,8.378436956096715,2.626608048408939,0.3932092834490694,0.0202457134224393,11.968261896709572,3.072456925070892,7.747639889930292,0.3600154444800941,2.9335340227328466,6.4931276010683,0.5489243464115684,6.850770852641986,0.187976269454391,24.203300432918176,2.9335340227328466,6.4931276010683,0.5489243464115684,6.850770852641986,0.1842108975669345,24.203300432918176,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,4.003512821469195,4.680107387197024,5.366376733055941,6.047581083326338,6.712733688599608,7.35433211195106,7.967813357343098,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_32,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413170908302525,0.5165579836328268,1.4341378019859858,3.169435022790644,5.082004167198465,6.409553603033275,7.117236672816483,7.449520841340388,7.57435243916701,2.511672409811082,0.4041122681614108,0.019970582480876,9.954821574126552,2.7924152624367986,6.341655496307481,0.3661926765896905,6.324919843343991,14.265790829787091,0.8818870270021039,8.790328353094036,0.3110866652706036,34.42719874991369,6.324919843343991,14.265790829787091,0.8818870270021039,8.790328353094036,0.2746391452502497,34.42719874991369,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.4329770249567524,4.051289632179428,4.690872722184597,5.337256481338189,5.978855118101973,6.607049036407588,7.215909550665623,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_33,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400983131114573,0.516297028237477,1.4418529428467803,3.1677282095173527,5.066516273936051,6.390699215298053,7.09901186173308,7.4321687007979484,7.5574220582481715,2.5154721718032724,0.4030902838183242,0.0196155188397605,9.91903995213747,2.786271546810118,6.364249067492473,0.4232231474511347,7.267426918228861,16.495986875330356,0.9186035306491858,8.09332926869569,0.3014867438062229,34.104336925806145,7.267426918228861,16.495986875330356,0.9186035306491858,8.09332926869569,0.2496870381716289,34.104336925806145,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.555433980310872,4.168824656324196,4.803258872944555,5.444493364329426,6.0810981668408255,6.70456264826025,7.309036010858114,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_34,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1421816969538307,0.5111674193228346,1.5763241241019543,3.696624717085719,5.947168456659216,7.466287104010703,8.265421387182162,8.638479440494486,8.778297739874924,2.900603119933522,0.3978012688793634,0.0204733765322736,12.8885420679968,3.8550872354251102,8.113510452066276,0.5747919403204257,4.986145913908627,11.189491516554456,0.7334840280325488,7.830825135929098,0.2862525839311737,29.258510512490485,4.986145913908627,11.189491516554456,0.7334840280325488,7.830825135929098,0.2622448747957391,29.258510512490485,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.635064771901088,4.339242562272507,5.054581385140019,5.764469008688995,6.456778159791915,7.123390145912389,7.759475760963392,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_35,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1389023569641755,0.5017656896391306,1.4663926114006247,3.351292569757619,5.41431450504346,6.84004234179494,7.598921116590109,7.95505876184945,8.08882662323191,2.637860296285216,0.3920370528138515,0.0194987952983085,10.057300742850137,2.927102279402443,6.47264521521781,0.582625525613336,6.078292622625451,13.647636567871553,0.8205161123773665,8.444588052299911,0.3990449870380034,30.995566842083207,6.078292622625451,13.647636567871553,0.8205161123773665,8.444588052299911,0.3657092506637973,30.995566842083207,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.0334523581994857,3.630040921853996,4.26264763389079,4.913762419451997,5.568630258460339,6.215840150742008,6.847231513654126,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_36,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414957405861079,0.5234635902894178,1.471389338394251,3.037175070924233,4.58488904991698,5.613714476666696,6.153902841402026,6.406125356869834,6.500679973631549,2.471261225315414,0.4067248809036882,0.0200635524402879,8.312586970456344,2.4369977793821933,5.529772350621482,0.5352667717776769,3.514813660083529,7.923020005753029,0.5047215192280657,5.123663430627027,0.1669147757662868,20.042482641576168,3.514813660083529,7.923020005753029,0.5047215192280657,5.123663430627027,0.1476262744872904,20.042482641576168,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.641757574542115,4.255515830397153,4.889894790298169,5.530531843987927,6.165963663808632,6.787690780121688,7.389894888977539,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_37,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411992669488193,0.5021653986673978,1.425349083762002,3.0280268539935866,4.646295573266624,5.731097780122037,6.302579290348197,6.569774560410037,6.669995985615868,2.4429279663490324,0.3931020655206703,0.0202316182619289,8.991849475555316,2.418660382954662,5.963861750713567,0.4025304233113702,1.4954450186658292,3.2877249677106226,0.2960779757261014,3.86406882447464,0.1110043101214431,13.24823320749796,1.4954450186658292,3.2877249677106226,0.2960779757261014,3.86406882447464,0.1110043101214431,13.24823320749796,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1289,3.88009340929761,4.561440964335521,5.254172296592714,5.942744649749469,6.615598472729009,7.264841190619531,7.885658159998444,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_38,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.139688323636911,0.4865903936739398,1.30772050658404,2.89857448372602,4.668583564555394,5.900685345557927,6.558261056466269,6.86718037291516,6.9832599377961495,2.2925372138159816,0.3857788454977567,0.0197545387749321,8.038785659796954,1.948312449226974,5.41696487005745,0.3540524939122632,6.229451431021993,14.033641472279047,0.811484532060088,7.94284522074339,0.373643804257657,30.15405535192848,6.229451431021993,14.033641472279047,0.811484532060088,7.94284522074339,0.3356970317275095,30.15405535192848,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.237912950827639,3.833063749368056,4.457374850665593,5.095592774401474,5.734903739773843,6.36539026854093,6.979945835317312,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_39,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422452415249875,0.5045223163883474,1.4737814798582176,3.4343143548922788,5.583023393289495,7.0558357630634605,7.835454254790326,8.200327319936667,8.337215809235323,2.68888485015454,0.3958287405481638,0.020450962087341,11.517359948775407,3.154655106099853,7.456752065328331,0.3956485231728327,5.3330041347517545,11.958787757313354,0.7925540056710898,8.547479618799613,0.3112054155084776,31.755836486813624,5.3330041347517545,11.958787757313354,0.7925540056710898,8.547479618799613,0.2863816428156355,31.755836486813624,46.0,106.86026,4.0,14.0,0.8399999999999999,114.0,0.0,0.0,0.0,0.0,-0.2700000000000002,0.0,RSM1289,3.236494179307562,3.8671514750207385,4.522542758116661,5.186711767912153,5.846733793571992,6.492938995848736,7.118660153126191,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_40,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412929750217178,0.5089450060068195,1.456671707361142,3.158523497433368,4.927489643674186,6.1264927422935695,6.760325227157038,7.0570115120002805,7.168339191877934,2.529312464586434,0.3974097883072,0.0201805556762845,9.66164889592046,2.5551129646967548,6.349638571239092,0.4289065926663015,1.3205983418857046,2.906045322433271,0.2641196683771409,3.433555688902832,0.0924418839319992,11.88538507697134,1.3205983418857046,2.906045322433271,0.2641196683771409,3.433555688902832,0.0924418839319992,11.88538507697134,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1289,4.024878622115965,4.702139936665352,5.388926736288005,6.0704714452922826,6.735795592522212,7.3774203900224835,7.990812295881629,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_41,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398366429459474,0.5110400248373101,1.531767303490219,3.460458093985309,5.462256731094255,6.804271071422744,7.508770305120148,7.837414155541653,7.960554221305435,2.7443911705907342,0.3975215194409366,0.0196837230605434,10.650648960154015,3.269179567908726,6.748564911929124,0.6529135385411479,2.2720133277869183,4.972645238775839,0.4279661274523347,5.695742347405596,0.2145576629656867,18.597562282728845,2.2720133277869183,4.972645238775839,0.4279661274523347,5.695742347405596,0.2145576629656867,18.597562282728845,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1289,3.429469535044232,4.02726849600755,4.65187441968772,5.288109526167565,5.923484322230788,6.548497381381128,7.156456714995897,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_42,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2278199364603881,0.9207709866075726,2.1163801471422445,3.86362004498223,5.627545967257121,6.82569753023538,7.461068857825593,7.758968174847479,7.870831392744634,3.2314325727469795,0.729593873546952,0.0243282797789267,10.530176625605923,5.148789238526413,6.25512314796796,1.645870015481234,2.142807668890372,4.665805382948793,0.3801099728612885,5.18368745178068,0.2517448147475764,18.31623780167763,-1.6582920597225126,-3.6987122270497466,-0.3801099728612885,-4.69917184261282,-0.0143321662553252,-18.31623780167763,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.467494058101543,10.206965118131116,10.932495324094642,11.638628167380372,12.320811257256995,12.975532727529044,13.600327636392509,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_43,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1015541794254475,0.7184148454898803,2.184996846055081,4.231695505489108,6.033288119325431,7.167019896088777,7.748901250838761,8.018055942592632,8.118581900198555,3.527631855199812,0.51893086079729,0.0035816456773856,13.115033559504829,5.694325493301498,8.10790463347611,1.692205195355256,0.7225730829119553,1.5900596427480689,0.144514616582391,1.8786900155710835,0.0505801158038368,6.503157746207596,-0.7225730829119553,-1.5900596427480689,-0.144514616582391,-1.8786900155710835,-0.0505801158038368,-6.503157746207596,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,8.298448203357987,9.066279768770205,9.82432466866461,10.569169201315493,11.296628074871215,12.002479272696783,12.68299015278256,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_44,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167986962119502,0.9149571712188896,2.2004760046785408,3.9871870368842335,5.691373879133342,6.824312299216664,7.421150999233048,7.700382574469184,7.805157468842622,3.3565253723343806,0.7158627206145591,0.0233749107678819,10.80395161622448,5.522937444499238,6.330101635180627,1.7762802302066305,1.9177803813951533,4.213946053056277,0.3774653015287548,4.9375027936251925,0.1470352536732401,17.138207937550867,-1.8568726338923949,-4.092374189040769,-0.3774653015287548,-4.876595046122434,-0.117190457396888,-17.138207937550867,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,10.217487083617485,10.950537021736102,11.6588709376409,12.340059566088344,12.99216316051974,13.61378182230449,14.204073385189153,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_45,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2288367922630531,0.9435299431549838,2.15737105074046,3.8715850668396654,5.616203841155028,6.814767794747621,7.4542301824012975,7.7548796065036285,7.867905744726189,3.251772820309702,0.7445197489800058,0.024198553930398,9.72536966025882,5.351340416359514,5.633997035112383,1.7255903785517683,1.978690280640128,4.283941426777267,0.3270323698810787,4.594949239688758,0.2827902607633974,16.434098800822213,-1.2916334181706592,-2.912575929288209,-0.3270323698810787,-3.9078923772192895,0.0538676018466425,-16.434098800822213,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.618094275099295,10.356348545592107,11.075731599960886,11.77278591736647,12.44435076894093,13.087840128970017,13.701381591687657,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_46,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2262163738769388,0.9183748670475228,2.131705176620694,3.853828973029473,5.483439925831941,6.544524376215338,7.096020031246577,7.352328937359847,7.448228823380189,3.24404278438813,0.7267062225968005,0.0240558800552364,10.525618083765336,5.163911542136552,6.202256351202967,1.664137819299318,2.2336351017497136,4.867238482776266,0.3998032966520365,5.432061474966006,0.2548942768880828,19.164241441789297,-1.7643978647706515,-3.9306409577660575,-0.3998032966520365,-4.962824237986944,-0.0249680307683424,-19.164241441789297,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.608475143008654,10.3460780840437,11.069461203772414,11.77318321154142,12.452729687227947,13.10463874293047,13.726499968182098,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_47,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005700403240758,0.7160502021503137,2.1798890759311766,4.184057399598012,5.882173295852402,6.916869563617644,7.438461797688378,7.677690829774738,7.766720046593577,3.502509298794985,0.5166901976729311,0.0035098813508022,12.995925549955794,5.607240347841578,8.076874573329816,1.682584447608745,0.7562814329202487,1.6642366197755192,0.1512562865840497,1.9663317255926465,0.0529397003044173,6.806532896282239,-0.7562814329202487,-1.6642366197755192,-0.1512562865840497,-1.9663317255926465,-0.0529397003044173,-6.806532896282239,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,8.308478745670405,9.07651091443296,9.836239079035286,10.58362155239903,11.313996327606514,12.02281218742506,12.706128794366084,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_48,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216912982969523,0.9136569360145556,2.1883472877523173,3.907957084034519,5.472954908553506,6.48015847204519,7.002247100278574,7.244740423055699,7.335457376925952,3.310440421218923,0.7152766252489048,0.0233631897435756,10.51794873695279,5.32949213601827,6.244992903893058,1.7518796252665774,1.9066089091949845,4.195592048346842,0.3813217818389969,4.95718316390696,0.1334626236436487,17.15948018275486,-1.9066089091949845,-4.195592048346842,-0.3813217818389969,-4.95718316390696,-0.1334626236436487,-17.15948018275486,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,10.23349339337236,10.961298201980618,11.666981522733703,12.347212264902518,12.999441882518497,13.621858637803513,14.21334310898653,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_49,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.228338275150189,0.9410344516666664,2.149496525324476,3.819109753796421,5.475927125885985,6.598881144196686,7.194385357396609,7.4736364969931905,7.578506348433277,3.221301285283658,0.7425647748933792,0.0241862538007333,9.471761231361771,5.223937035499287,5.473269592688961,1.710660002035976,2.0295175468437203,4.406056123937477,0.3472360088754063,4.807405617846971,0.2652679793150694,17.092307911726728,-1.4428425419103432,-3.2350528140904564,-0.3472360088754063,-4.220730612913594,0.0222027731022852,-17.092307911726728,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.730419910189893,10.470925406049735,11.193644289106102,11.893990668841392,12.568231680626578,13.213555016861092,13.828059965432708,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_50,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2299996563717149,0.948250795034351,2.214385042611253,4.02489726742906,5.816811544875943,7.02138818683658,7.657163024297512,7.954644678940872,8.066258357365664,3.375052743597019,0.7471016875118576,0.0244107866201149,10.66898212795121,5.82449349908672,5.9804684391804255,1.7901732534434982,2.1582700622720825,4.67990413474316,0.3637188494349442,5.068020857751636,0.2937427466999375,18.065727300059297,-1.4789184320773594,-3.3239182808744925,-0.3637188494349442,-4.388669227556912,0.0391395520954769,-18.065727300059297,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.569585525365303,10.317733784162565,11.046464649681424,11.752094643835704,12.431372817874529,13.081704154825603,13.701252448837518,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_51,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168226383372309,0.9145738353491444,2.2449510884885204,4.256092273622975,6.251217523886342,7.586285846011484,8.28930753415591,8.61793954463086,8.741194285538148,3.5308378866633614,0.715542976230495,0.0232979247577491,13.077476944021226,6.348827454627476,7.532613403090688,1.836122760098926,2.170659251005515,4.78100360814591,0.4041786848846543,5.206030352185758,0.1727763618816477,18.31074991936888,-1.775292898858613,-3.902269287141896,-0.3850117450881712,-5.072612177257458,-0.1074014561667808,-17.869910304049768,41.0,95.8575,3.0,1.0,0.4900000000000002,69.0,-5.0,-11.00276,-1.0,-13.0,-0.6199999999999999,-45.0,RSM1289,10.077208740201266,10.819072526147968,11.53658534485743,12.227275265640976,12.888949804540411,13.519928092397697,14.119136110135964,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_52,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1039308939294123,0.7295839492424645,2.273786222943152,4.66242709363308,6.940709474302613,8.422013231661643,9.19075710381582,9.547743576090191,9.681264991588844,3.811212022172784,0.5269650709364997,0.0037506895700848,16.22913286333325,7.03001482318304,9.600294486210023,1.8430987406110848,1.475700439195876,3.339404810655987,0.1682179622224797,1.5656190809047168,0.1030739463378843,6.772833843817436,0.4011781021667229,0.9748625328618096,-0.0466865051833509,-1.3496704524102106,0.0027408816244237,-3.977610331917474,41.0,95.8575,3.0,1.0,0.4900000000000002,69.0,-5.0,-11.00276,-1.0,-13.0,-0.6199999999999999,-45.0,RSM1289,8.070267068796353,8.838773954172053,9.596159267636128,10.339752449229874,11.065966761174092,11.770996800127298,12.451356828585062,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_53,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2266208104111984,0.9215956191921036,2.1651458840216966,4.045336764245632,5.94077745355513,7.217938029230315,7.891944048839773,8.20724057010035,8.325523672867607,3.3630029965959083,0.728710112283984,0.0241034795753865,11.569411101207834,5.751080461444842,6.555249614331473,1.7236457157103466,5.065157206534804,11.523026303197057,0.5522748957352862,4.682583039217834,0.3023725759928837,21.194645668233694,1.8653630878267424,4.481712955685797,-0.0876839280063257,-4.1014726371520815,-0.0176284789806653,-10.509053410467605,41.0,95.8575,3.0,1.0,0.4900000000000002,69.0,-5.0,-11.00276,-1.0,-13.0,-0.6199999999999999,-45.0,RSM1289,9.442009171030252,10.201147080399764,10.94085465596368,11.657262378430309,12.346855540246048,13.006819667968216,13.635177803439138,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_54,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2267637423879852,0.9223007302661026,2.1721394611790488,4.103679936750018,6.075695751753245,7.40864152440089,8.112417223303188,8.44163926703204,8.565141811903194,3.3982396998470343,0.7294517893732357,0.0239285154115547,12.271000154544796,6.052661005135411,6.971545536485015,1.7570585631206417,2.439500864832941,5.323700454919409,0.3931459098788317,5.288271768061637,0.3067886860982106,19.12342752727064,-1.3485406327608809,-3.012081838693669,-0.3644623896399325,-4.589319645921198,0.0356978537506043,-18.46370656177596,41.0,95.8575,3.0,1.0,0.4900000000000002,69.0,-5.0,-11.00276,-1.0,-13.0,-0.6199999999999999,-45.0,RSM1289,9.38177038034837,10.13710207676999,10.875318034083024,11.591730388815757,12.28229896148979,12.943869666129002,13.574242796466985,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_55,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1035197920139872,0.7296855777128376,2.311548167659844,4.803547146460968,7.16285069563029,8.680426115359209,9.463029517598237,9.82535790509079,9.960704214542853,3.915510353084692,0.526263837105821,0.0037210912602764,16.94342883948565,7.567267386884066,9.796815613822552,1.905693292322735,1.310727806957955,2.96121767730914,0.1426682415184153,1.325139792430912,0.1032707363223161,5.844438485348798,0.4293360111323662,1.0216691982215484,-0.0336101176467024,-1.0755370005873328,0.0190346316810376,-3.3361016362994014,41.0,95.8575,3.0,1.0,0.4900000000000002,69.0,-5.0,-11.00276,-1.0,-13.0,-0.6199999999999999,-45.0,RSM1289,7.925762404606494,8.709797686360949,9.48127129115307,10.237398434799706,10.974639050086765,11.689309223269262,12.378072403052917,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_56,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172345336129914,0.9153393757380716,2.293142391229068,4.458167318122891,6.605761661140458,8.028560588452155,8.772811276142654,9.11957596132446,9.249448438419156,3.674062136888146,0.7155182761783203,0.0235240032672177,14.08092017613324,6.961011227476313,7.925728918369403,1.9157894792118235,5.25040042385645,12.028550948693905,0.6108044882403335,4.906337091601476,0.1789475087269028,21.9329652601725,1.6732422696035891,4.1568284180364605,-0.1046271426102388,-4.900451455086062,-0.1760635468343501,-10.290886310680325,41.0,95.8575,3.0,1.0,0.4900000000000002,69.0,-5.0,-11.00276,-1.0,-13.0,-0.6199999999999999,-45.0,RSM1289,10.072660893067976,10.832527415967848,11.56227138229901,12.26115462119455,12.92819550445981,13.562547361194351,14.163710079218646,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_57,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2252391754475313,0.9362139999427704,2.187979843118515,4.021798498389179,5.9008453163951495,7.18994536658459,7.87660906400937,8.199164677572403,8.320378218581661,3.355330729334161,0.7371473380192327,0.023507775872772,10.947505958895828,5.815651406522862,6.122239199834406,1.7664296414448528,5.819291957917363,13.254156565741564,0.6476981160785967,5.473970119645294,0.3172650459356784,24.57826523514964,2.0166205230511585,4.886180334403867,-0.1128361708946442,-4.947837556190793,-0.0594600898429725,-12.276440495918724,41.0,95.8575,3.0,1.0,0.4900000000000002,69.0,-5.0,-11.00276,-1.0,-13.0,-0.6199999999999999,-45.0,RSM1289,9.736871758217632,10.4703183831493,11.18729350444055,11.883584390673503,12.555366726765229,13.199534002896394,13.813840943124864,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_58,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2291885439946345,0.9242139393640852,2.1129353364812933,3.77377047330647,5.375338622030003,6.439387691196712,6.998657808907602,7.259944188201927,7.357921790470918,3.1838270108248623,0.7326234918321612,0.0244767453110453,10.02863519307212,4.951078087730317,6.004274493062479,1.6327313593715451,2.1931925376775188,4.778307632708394,0.3917784499824663,5.327420137537249,0.2519295984988047,18.80153168803692,-1.7245919621471446,-3.842980883949768,-0.3917784499824663,-4.858819562006874,-0.0223153164889213,-18.80153168803692,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.545860708079926,10.28639961828789,11.009688965879366,11.71133485097838,12.387709199657897,13.036023870332386,13.654336372608093,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_59,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025464146529271,0.723628447079081,2.195922152640413,4.205065992527507,5.917409073386503,6.971642833607406,7.506962966360673,7.75341346783292,7.845281628111849,3.521622477992115,0.5227130704727334,0.0036486097848751,12.957412591117128,5.682846196350106,8.031927326219298,1.714747765232818,0.5659223827260331,1.2452725907084812,0.1131169724933701,1.4708581626729942,0.0397563252996788,5.091951363497568,-0.5652473422076683,-1.2439252098338254,-0.1131169724933701,-1.470183122154629,-0.0394255554456801,-5.091951363497568,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,8.264685631620786,9.03216370350849,9.78860321431175,10.531101688395182,11.255932776904997,11.959225239036911,12.637481747246374,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_60,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163555741886577,0.9105779828838318,2.17986734190511,3.905519354395444,5.496175393219253,6.530329229904684,7.069361513886562,7.320373817387766,7.414380236246576,3.303499251776165,0.7131010770942542,0.0233030813345965,10.482003583861545,5.30674861796435,6.242341120709624,1.7417068846973516,1.907406589318921,4.19734738493893,0.3814813178637842,4.959257132229194,0.1335184612523243,17.16665930387029,-1.907406589318921,-4.19734738493893,-0.3814813178637842,-4.959257132229194,-0.1335184612523243,-17.16665930387029,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,10.232081118194708,10.979062317832476,11.697241557718284,12.385291329729457,13.042089263314091,13.666831392382282,14.259107654042726,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_61,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2273174483564998,0.9384315129183348,2.1302469903487244,3.758358966496391,5.386183517216277,6.499295168546187,7.092422363896354,7.371171655003106,7.475948994367172,3.1750291478475923,0.7406779714855675,0.0238600921013476,9.142612676306388,5.04861100514786,5.299576620382114,1.670940926226971,2.0710821194395788,4.498472288377607,0.3564789178069217,4.922913461894952,0.2662245111308579,17.48498895333633,-1.4937070586296384,-3.346031667000965,-0.3564789178069217,-4.345538401085012,0.016689268666013,-17.48498895333633,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.737485076132817,10.485444195130832,11.210884765728863,11.910934406392348,12.583072036728645,13.2253162701531,13.836319313748533,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_62,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2303804618619082,0.9492712093754504,2.244314692848038,4.193731969814299,6.184492056922376,7.539558970612457,8.258183950016328,8.595067878839965,8.721558675643486,3.483976107564552,0.7477546323751373,0.0245900671977215,12.12360685034944,6.294618736436686,6.8343854377114885,1.8410558565598445,2.090473665171004,4.541673165202175,0.3608742320005192,4.977467521175157,0.2664962087327014,17.669852965865402,-1.5182686548341884,-3.399551964569892,-0.3608742320005192,-4.405262510838343,0.0138842463323382,-17.669852965865402,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.445323951976569,10.228460068462908,10.983042364055631,11.707085806097329,12.398967805860918,13.05751675481127,13.682068958067534,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_63,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2175430399902616,0.9178281453306548,2.234458371676788,4.125068397385582,5.92411309461649,7.103900893950963,7.719832399013222,8.006716388683579,8.114157337394152,3.455019787697973,0.7179208600335412,0.0233785313879911,12.023687828590008,5.948174641338333,6.995586181579449,1.824371828941524,2.1572954996406826,4.740375611748526,0.424746562698701,5.55526800123029,0.1651070131566621,19.28140875217744,-2.090170127346328,-4.606393368648994,-0.424746562698701,-5.488142628935935,-0.1322155807324282,-19.28140875217744,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,10.142080180520324,10.884125120262146,11.598824975371604,12.284486157295856,12.939749738719224,13.563653043388957,14.1556704035555,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_64,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.102513578282784,0.723169391925037,2.2150023231002214,4.334776531734456,6.216494262071513,7.401557139885855,8.009350251853403,8.290341447981392,8.395261327053808,3.6021101238315003,0.5222438634846998,0.0036472927826338,13.93657855275332,6.0524424280276685,8.515753987145235,1.7447614761359616,0.8535155428777212,1.8768488876889884,0.1693768470658382,2.2085303194044266,0.0625312371718231,7.655114655705369,-0.8402529277806607,-1.850376707955256,-0.1693768470658382,-2.195267704307366,-0.0560325557742634,-7.655114655705369,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,8.26338640680957,9.023805352500396,9.775136754878291,10.514102080892595,11.236602825891133,11.938447726042302,12.615884140197885,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_65,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.226847409537359,0.9207586340931186,2.168223805399413,4.131265038954483,6.150821460484001,7.516111391376861,8.236341666328139,8.573071340121832,8.699356975736919,3.4110127706751223,0.7287560527322546,0.0239960633810054,12.385890849401331,5.896495898534832,7.205649911359049,1.7176909878257705,2.047375286822908,4.456162970613387,0.3613769585385257,4.938390955131114,0.2443222776123206,17.464415604885055,-1.5663942985623498,-3.4961249180453127,-0.3613769585385257,-4.457409966870556,-0.0086415933646472,-17.464415604885055,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.517762344884677,10.260828583911648,10.98684838628047,11.691656464642428,12.371533493624485,13.023490522693166,13.64538158683842,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_66,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2277837121260212,0.9207591923063396,2.1159631533397465,3.86167140749567,5.623844020218269,6.820881600029875,7.455698613534939,7.753347022705657,7.865117502202961,3.2301007612721864,0.729583802459017,0.0243095551651131,10.518474944638104,5.143908936056636,6.249154884098847,1.645097916420604,2.141652515523938,4.663233903562395,0.3798500944274458,5.180453270943503,0.2517245343090933,18.305264466168605,-1.65684842875052,-3.695564946362652,-0.3798500944274458,-4.695649184170086,-0.0141705317901184,-18.305264466168605,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.467627081660252,10.206905824102558,10.93225602036085,11.638222030493695,12.320251995305329,12.974834134466755,13.599503182346876,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_67,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1015624237469476,0.7184696097198535,2.185088875093548,4.231212160963388,6.031638718132789,7.164404160676624,7.745739524442349,8.014632369152713,8.115059173171096,3.5274438616701502,0.5189686919592337,0.0035822841661974,13.111149911883674,5.693335225812052,8.105863200619115,1.6923522440118517,0.722656509010119,1.590243226215235,0.1445313018020237,1.878906923426309,0.0505859556307082,6.50390858109107,-0.722656509010119,-1.590243226215235,-0.1445313018020237,-1.878906923426309,-0.0505859556307082,-6.50390858109107,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,8.2986253783454,9.066435323154211,9.824449418874083,10.56925850588255,11.29668011010076,12.002493859183517,12.68296801757881,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_68,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167874028892704,0.9150201998699736,2.2007751034456526,3.987395850406237,5.691063751950928,6.823524796986503,7.42008500847159,7.699181322845526,7.8039047379840785,3.3568323983245105,0.715896382849432,0.0233650486747203,10.80386617551888,5.52269357174976,6.330841660399196,1.7767656919165633,1.91700613603014,4.2122325626085,0.3773009455711422,4.935413700599278,0.1470010209553697,17.13104959157354,-1.8560033196812824,-4.09047094117618,-0.3773009455711422,-4.87441088425042,-0.1171096409444295,-17.13104959157354,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,10.217522079551212,10.950536767014894,11.658819456218286,12.33994418133922,12.991975941307846,13.613519445860057,14.203736311261322,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_69,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.22877055321654,0.9434798441829368,2.15720311334478,3.870469805590926,5.61379009323057,6.811443380158803,7.450426458561925,7.750852757976647,7.863795410701348,3.2510700690622527,0.7444594268770756,0.024175272918453,9.717371421007076,5.347531981260992,5.630789921410733,1.725298728870833,1.9786663515852487,4.283900893188295,0.3270394378193681,4.594981854140194,0.282763692856099,16.434120514313605,-1.2917280266084317,-2.912771996534566,-0.3270394378193681,-3.908043529163376,0.0538360863825416,-16.434120514313605,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.619261668691044,10.3574180362121,11.07669030524426,11.77362372530628,12.445061534722765,13.088421703546985,13.701835268923016,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_70,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2261761582498144,0.9183364203522058,2.132074896374208,3.854831626620336,5.48478471684798,6.545983925828513,7.097513548897073,7.353833135777602,7.449736245111962,3.2448526293321445,0.726649072380962,0.0240472067223849,10.53265504838798,5.165594520413599,6.207128966133195,1.6647128041593051,2.233367343395314,4.866642271644891,0.3997429056942436,5.431310588949263,0.2548898963057921,19.16169483086144,-1.764061713547122,-3.9299082344679,-0.3997429056942436,-4.962004959101071,-0.0249301376801781,-19.16169483086144,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.605145106536323,10.343189537771469,11.06696739916999,11.771038773464957,12.450891909264156,13.103068342299288,13.725161444284096,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_71,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1006124706976634,0.7161662936582853,2.180029532026432,4.1840958445045775,5.881931531011148,6.91635095686328,7.437771753092161,7.6769149772477565,7.765911110466395,3.50260584577104,0.5167942401502569,0.0035129830985693,12.996442753334716,5.60755828177128,8.077379491840839,1.682790168066681,0.7562382120386814,1.6641415099781445,0.1512476424077362,1.966219351300572,0.0529366748427076,6.806143908348132,-0.7562382120386814,-1.6641415099781445,-0.1512476424077362,-1.966219351300572,-0.0529366748427076,-6.806143908348132,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,8.311348178819216,9.079305253401584,9.83887105538706,10.58604006471393,11.316177325601968,12.024750417451168,12.707831191466502,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_72,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2168034824415391,0.9135876010922191,2.1881537476849404,3.907689315553117,5.4728549116858565,6.480247684387259,7.002450734724479,7.245000098093102,7.335738428735862,3.3101654166864263,0.7152044216510886,0.0233132702999251,10.517391905041752,5.328952723264396,6.244334468603361,1.751398777934107,1.9068853389649807,4.196200346430066,0.3813770677929961,4.95790188130895,0.1334819737275485,17.161968050684823,-1.9068853389649807,-4.196200346430066,-0.3813770677929961,-4.95790188130895,-0.1334819737275485,-17.161968050684823,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,10.235382811166623,10.96295149915736,11.66836967731776,12.348333364881286,13.000310289136998,13.622497479266295,14.213779340663356,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_73,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2281911905899666,0.9409486181346596,2.149857271423651,3.820375048789829,5.478046296122099,6.601533994315995,7.19730971152494,7.476685879447344,7.58160233928878,3.222238999143684,0.7424423304849183,0.0241337834713645,9.477949945838471,5.227199560048446,5.476059491204327,1.7112626827673416,2.030913466234863,4.409167188244783,0.3475535899331179,4.811342185699806,0.2652850595955351,17.10563912983667,-1.4446224330963169,-3.238930286100244,-0.3475535899331179,-4.22505115256126,0.0219975466423527,-17.10563912983667,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.732357392531236,10.472356796543368,11.19454689492512,11.894384928571291,12.56816475333262,13.213087637325238,13.82725712437456,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_74,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2300696935338574,0.9482749846172112,2.2138920064081216,4.023876664773176,5.815730843650852,7.02044139820388,7.65632893276679,7.953871876342432,8.065509863813768,3.3741587007912286,0.747163610664063,0.0244331654141706,10.665469879406494,5.823345843783983,5.977252945209281,1.7896748990975817,2.158598283160692,4.6806427023759385,0.3638004313692344,5.069001734114568,0.2937322528733464,18.069000043188144,-1.4794060305316532,-3.3249749661283787,-0.3638004313692344,-4.389809481485529,0.0390719509148825,-18.069000043188144,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.571953881155428,10.31964738504746,11.047997902231032,11.753308743293816,12.432318615818764,13.082424331849522,13.701783072172464,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_75,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216911604435452,0.9146513546407476,2.2450413767134347,4.256835118665762,6.252986220732361,7.588828538695041,8.292272994657168,8.621105190942039,8.744435370563322,3.531280083297894,0.7156352843209131,0.0233260020109868,13.08793141695726,6.35304161945803,7.536967893057182,1.836014376253898,2.175525212391726,4.79234390087549,0.4045932195497957,5.207398193996818,0.1728426503717706,18.32182813264032,-1.771274995303035,-3.89279518976763,-0.3847668219891563,-5.0741087435702,-0.1075308196627278,-17.865820988745615,41.0,95.8575,3.0,1.0,0.4900000000000002,69.0,-5.0,-11.00276,-1.0,-13.0,-0.6199999999999999,-45.0,RSM1289,10.076972321517584,10.818988637254176,11.53660160130931,12.227355055999602,12.88906793269227,13.520067547538886,14.11928569239,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_76,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1039438491483723,0.7296394475714458,2.274260767923338,4.664195672221331,6.94380843655683,8.425932492539433,9.195084065728388,9.55225565536984,9.685845631276566,3.812484410173553,0.5270053895820745,0.0037515112319515,16.246433633313508,7.037369536422336,9.608384314455073,1.8438102157053573,1.4767441082631725,3.341883585375516,0.1682530191117573,1.5649068265982669,0.103079158508755,6.772315743332348,0.4028565467709041,0.978738164158582,-0.0465244931866962,-1.348929359206691,0.002749800513117,-3.972559647055944,41.0,95.8575,3.0,1.0,0.4900000000000002,69.0,-5.0,-11.00276,-1.0,-13.0,-0.6199999999999999,-45.0,RSM1289,8.069730088161682,8.83824489656257,9.595606206365408,10.339155763726652,11.065316492981715,11.770289995015215,12.450595234380842,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_77,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.226584955540483,0.921577314886354,2.16553089206475,4.046765937763936,5.94330230919725,7.221179640712196,7.895556706578139,8.211025249607845,8.32937264544896,3.364035928022364,0.7286736946892789,0.0240932754012148,11.580572711362532,5.755727222176307,6.560522620445678,1.7243051944346508,5.05664006995633,11.502982088592068,0.5517463104776948,4.684007522686192,0.3023192545419321,21.186284719110187,1.855275206030202,4.4582122345497,-0.0885266623075306,-4.102760771691904,-0.0175083465547305,-10.532232811196408,41.0,95.8575,3.0,1.0,0.4900000000000002,69.0,-5.0,-11.00276,-1.0,-13.0,-0.6199999999999999,-45.0,RSM1289,9.442543173459224,10.201439130292082,10.940931684782203,11.657147709068408,12.346570491218714,13.00638406013984,13.634610018668184,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_78,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.226780461078078,0.9223892839182232,2.17290890997497,4.105913029287554,6.079248692159987,7.412965951736329,8.11711517208076,8.446504684440097,8.570068914499027,3.399946865469881,0.7295021713573704,0.0239338912966906,12.286454177847377,6.058901054595238,6.979684536406228,1.7582005054313516,2.434057903580446,5.31080562192855,0.3928635914711732,5.290430390001601,0.306808986290177,19.121737087837737,-1.3559314408014973,-3.029263009829824,-0.3651342774052153,-4.591271219457409,0.0357790072764767,-18.483962864320706,41.0,95.8575,3.0,1.0,0.4900000000000002,69.0,-5.0,-11.00276,-1.0,-13.0,-0.6199999999999999,-45.0,RSM1289,9.379995248887624,10.13536636489244,10.873612775337318,11.590049328992093,12.280637993916663,12.942226243492025,13.572615423681778,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_79,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1035103315809213,0.7296783890427775,2.312157480161088,4.805585113576521,7.166116936597138,8.684404569950338,9.467356086182187,9.82984181895655,9.965246325225683,3.9170446645528494,0.5262417393381914,0.0037203172352705,16.961414522054056,7.575539749059313,9.804736598051193,1.906408076081357,1.313544978378656,2.967789592900836,0.1429135054539407,1.3259681177011389,0.103296836182103,5.850939497027379,0.4316122968920111,1.0270508667900369,-0.0334730308433882,-1.07649732877469,0.018943850391857,-3.3338085809846696,41.0,95.8575,3.0,1.0,0.4900000000000002,69.0,-5.0,-11.00276,-1.0,-13.0,-0.6199999999999999,-45.0,RSM1289,7.924399921111669,8.70862165076328,9.480264794825564,10.236542397129895,10.973913813420229,11.688695612094648,12.37755241338506,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_80,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217127805979048,0.9151054123894286,2.293158006561842,4.459430938827493,6.608396278259841,8.032057793901812,8.776740907884303,9.12370270227093,9.253648300993438,3.674829428201975,0.7153076679615216,0.0235022314123055,14.09447048591356,6.965605347816536,7.932642506402399,1.915685721661976,5.253162894592452,12.034853578871704,0.611160570283141,4.909545068614878,0.1790428715112474,21.94630219966428,1.6736067344591237,4.157854111577985,-0.1047506617435247,-4.903710856271392,-0.1761841074629392,-10.298874303253106,41.0,95.8575,3.0,1.0,0.4900000000000002,69.0,-5.0,-11.00276,-1.0,-13.0,-0.6199999999999999,-45.0,RSM1289,10.072307556776629,10.83245225074053,11.562451454594916,12.261563626522802,12.928804780055843,13.563327491239033,14.164632437884569,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_81,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2252740544448193,0.9362737199301916,2.188236847085133,4.022880694326905,5.903020477456071,7.1929029692503486,7.879984947286921,8.202736808794377,8.324024027776241,3.356065574816287,0.7372010458505606,0.0235162968681461,10.955101364513393,5.819065551501278,6.12575999467072,1.7669064212528105,5.814429662696301,13.242696091970194,0.6474368882725285,5.475441631544915,0.3172204416285975,24.575358741561164,2.010294556099217,4.871498974877765,-0.1133901330468883,-4.949356400833145,-0.0594386785798303,-12.29228337137144,41.0,95.8575,3.0,1.0,0.4900000000000002,69.0,-5.0,-11.00276,-1.0,-13.0,-0.6199999999999999,-45.0,RSM1289,9.736067828842527,10.469724055687104,11.186854417898896,11.883259923560766,12.55512573665218,13.199352230951137,13.813699342375989,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_82,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2291495106620921,0.9241538198945404,2.113028831884736,3.773728579561132,5.374797405640802,6.4384249777915175,6.997459797183821,7.258634251901354,7.356569632987514,3.183893131940456,0.7325555107633651,0.0244681316805545,10.027477353754175,4.950792325710902,6.003829305552313,1.632973385201967,2.191192878535875,4.773905472059042,0.3913767516342383,5.322206891609781,0.2517933320506782,18.783499425364145,-1.7225746378065083,-3.838543463563224,-0.3913767516342383,-4.853588650880416,-0.0221703940932883,-18.783499425364145,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.546206292963948,10.286891813039537,11.010328637804564,11.712113436069089,12.388612497129916,13.037034965648656,13.655437678467766,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_83,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1024773470331167,0.7233623178108477,2.195330572297852,4.204002330771792,5.915698542172634,6.969394523932498,7.504402760758237,7.750701404234073,7.8425116690313725,3.520744483091746,0.5225008990414532,0.0036437333621338,12.953371563662504,5.679427457874667,8.030594700704613,1.713734562605198,0.5651624088041696,1.243598674663067,0.1129634583772777,1.4688700758223916,0.0397063177217597,5.085081211566402,-0.564472174968608,-1.2422209679272862,-0.1129634583772777,-1.46817984198683,-0.0393681031423345,-5.085081211566402,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,8.263074906840814,9.031019071286126,9.787940959561,10.530910815078354,11.256181946283885,11.959870149309076,12.63847150662817,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_84,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163522981650908,0.9105041203013388,2.1795870150940053,3.905097912969024,5.495477637762432,6.529312909224361,7.068136354397363,7.319041974918255,7.41300695049136,3.303128861176006,0.7130558509994923,0.0233046709969636,10.48024329883432,5.305262146173619,6.242208268072457,1.7412379501991315,1.907496887476841,4.197546090730937,0.3814993774953681,4.959491907439786,0.1335247821233787,17.167471987291567,-1.907496887476841,-4.197546090730937,-0.3814993774953681,-4.959491907439786,-0.1335247821233787,-17.167471987291567,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,10.231030600201205,10.978245503378238,11.69661718167834,12.384824287027888,13.04175069496123,13.66659795626034,14.258960589422772,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_85,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2272838489232264,0.938407190710236,2.130232528610868,3.757968876364806,5.385068205018412,6.4976220982923065,7.090449150039641,7.369058031262381,7.473782777452547,3.174832337856841,0.7406491218244502,0.0238473399304278,9.137758648431609,5.047819798501388,5.295651088776967,1.6707889629609205,2.072050850326716,4.50057517605272,0.3566444510937021,4.925206459076331,0.2663515693633164,17.49314327350762,-1.4943936606103043,-3.347571425378763,-0.3566444510937021,-4.347549269359921,0.0167004535977252,-17.49314327350762,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.740055808338212,10.487896940398164,11.213219270151962,11.91315485730531,12.585186076189906,13.227333859676248,13.838251652226273,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_86,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.23047700473767,0.949514908407694,2.2443527980700333,4.192314026224789,6.181577923622413,7.535787301804737,8.254007863970163,8.590713125907333,8.717138545893661,3.483134380793764,0.7479613301509284,0.0246081619400625,12.106925924344829,6.288528680630883,6.827186665248145,1.8410491182000177,2.088992114383279,4.53838527688755,0.3605508785819988,4.97339914303927,0.2664492910256089,17.65597814355637,-1.5165166714367098,-3.395724292766198,-0.3605508785819988,-4.400923700092701,0.01406367601821,-17.65597814355637,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.445812111685344,10.228588107649292,10.982871364967489,11.706665991683384,12.398341901852946,13.056721396891726,13.681135220720217,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_87,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174805355104376,0.917854025990962,2.234562753215288,4.124267049202224,5.922074093172863,7.101071076801581,7.716614312151802,8.003324238481135,8.110701154313777,3.4546289726333894,0.7179056938197286,0.023354157444118,12.014621743392365,5.944507257136498,6.991557120686509,1.8245729025596729,2.1549934553319794,4.735298664620309,0.4242752236865715,5.549195244824551,0.1649688233708693,19.26047175039133,-2.087758781533737,-4.601098255719016,-0.4242752236865715,-5.48196057102631,-0.1320238332097304,-19.26047175039133,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,10.143472539809878,10.885097660565975,11.599426295735956,12.284761518769292,12.939741970198982,13.563402494687953,14.155214543595996,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_88,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1024761548895193,0.7229966049818433,2.2143350289460115,4.333227176835332,6.214325578134806,7.399133278171451,8.00683735264649,8.287796736678656,8.392706225747078,3.60085832754066,0.5221160095748633,0.0036446996697507,13.927546083705684,6.04673017092339,8.512367554918773,1.7436309785122204,0.8514774059992462,1.8723964288598696,0.1690010623072605,2.2034859044573305,0.0623216980943834,7.637408276141442,-0.8385332170733591,-1.8465598277637991,-0.1690010623072605,-2.1905417155314435,-0.0559790455206988,-7.637408276141442,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,8.262070245556254,9.022702963021231,9.7742616251554,10.513452131615756,11.2361649637169,11.93820199909625,12.61580708441796,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_89,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.226844267021465,0.9206690092726566,2.167588241028645,4.1298269351953545,6.149011148763656,7.514208188850202,8.234423213125089,8.571152099752785,8.69743837618187,3.4098097375358885,0.7287024910833119,0.0239998940370967,12.375524028987504,5.890867327446245,7.201550637424033,1.7167408302634954,2.046493914492972,4.454247955120225,0.3612246292309573,4.93629094834063,0.2442102967165458,17.456962157084003,-1.565752377816601,-3.4946878479141885,-0.3612246292309573,-4.45554941166426,-0.008646943745124,-17.456962157084003,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1289,9.519847578578874,10.262689908635425,10.98852835725134,11.69318374630832,12.37292787161509,13.024766196827718,13.646549275754772,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_90,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0916479979733672,0.5693111567975864,1.7032826180606888,3.6406068603847386,5.715091205007665,7.144264178762054,7.904025143836907,8.260347740020757,8.394146344724065,2.9179381979025067,0.418303153832155,0.0043027581239942,10.86213310677751,4.061598778841613,6.68025533649748,0.8771716776187044,10.1160353663422,23.50802100795876,0.7892577823473751,2.685136085412573,0.5068979670940547,22.73585465194233,8.21058001993597,19.49606924401996,0.5852383716234878,-2.685136085412573,-0.5068979670940547,14.575078222986829,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.259616431209787,12.050085612014549,12.821289003389362,13.56552483028811,14.276420436199071,14.949516294799352,15.58224901433054,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_91,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0990367739469343,0.5835886877718,1.7100131041514788,3.6265978945787647,5.6626643209279175,7.06097288160413,7.803720043619889,8.15199249898433,8.28276117689684,2.913874515190075,0.4327558448583311,0.0050513272699675,10.67288986202642,3.980704013315717,6.611798822776494,0.8964128425327453,8.916703144130253,20.629809781518272,0.7391996080601337,3.458046837244179,0.506402594381452,22.40765355569804,6.246301084359273,14.950748253290977,0.3980257090765808,-3.458046837244179,-0.506402594381452,8.76069759635591,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.031286420831398,11.867363362597326,12.664912052434843,13.421268720287436,14.134770956992847,14.804748887571265,15.4314171882051,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_92,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0921165597083748,0.5781318681900813,1.7594890684049873,3.667686752611214,5.592227753832249,6.884267524387187,7.564634651563934,7.882572174634569,8.001792594204451,2.973424453264876,0.4228934538366822,0.0043364921811879,10.46177819919456,4.190386975238572,6.288889507592856,0.93355743607525,9.332294957400062,21.55772931865448,0.8067837342797313,4.253942726291653,0.53553429606908,24.744494655897352,6.044534516394952,14.524577672710793,0.3464784762548947,-4.253942726291653,-0.53553429606908,6.332284334903892,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.336339099254731,12.118401096284424,12.884767182872697,13.62649208645114,14.33633226246346,15.009238172024205,15.642259050686322,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_93,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1004557455109968,0.5835011453540743,1.7371815474459278,3.653484916814977,5.5639036854687856,6.826655753910275,7.485891507470564,7.792728238648476,7.907594407398855,2.956294035425363,0.4332825958191299,0.0052068386352681,10.704006405376612,4.024432603962183,6.5272142057537526,0.8943979844323097,3.51965930778267,7.633097637496932,0.5137708180476301,7.178487794699356,0.5540174942386433,21.56252576998233,-2.9178752311635296,-6.220988734807247,-0.4686370123011946,-7.178487794699356,-0.5540174942386433,-17.733787443970662,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.589023309278812,12.389888210095412,13.15584752012778,13.883434856007725,14.570507305198309,15.21609807238423,15.820224260086292,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_94,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0931806934290724,0.5648412515706217,1.6737585211774737,3.532819632024915,5.4645381575141485,6.77490051492631,7.467115149751192,7.790932283232059,7.912403055514921,2.8470916178684726,0.4171897773941742,0.0044639916173329,10.272106519987071,3.737895791876922,6.2490314984982165,0.8101279608064955,12.960822383894584,30.09135273762096,1.083265330563781,4.570969836379319,0.6107401474112226,31.2912297258444,9.780477872139434,23.27196111192246,0.6223321886387704,-4.570969836379319,-0.6107401474112226,12.853904048843969,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.710926292442135,12.474142243123964,13.219759088418757,13.939572924692833,14.627125809836148,15.27803307802104,15.889835712178126,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_95,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.096619047924315,0.5860327711752927,1.724911076949112,3.477002595612536,5.251257767348204,6.465486895842081,7.112757249738362,7.417031364311512,7.531417494390278,2.8431495916639395,0.4312969522975626,0.0047998415904428,9.432506111993575,3.757983406702661,5.809720905132189,0.8924834111926928,9.286729009235476,21.397342398564884,0.8385907104332375,5.02139814424434,0.5598942338540629,26.28700512452146,5.345346388707241,12.937371225535124,0.2588149444124661,-5.02139814424434,-0.5598942338540629,3.0959744836906045,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.29173233230098,12.13387848762206,12.935568966397993,13.69405320236974,14.407717653901685,15.076046091495376,15.699473001980992,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_96,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0981603994192452,0.5889052586681777,1.721369942177361,3.497052444718361,5.28269126433961,6.486980684711836,7.123344785668226,7.421249957772755,7.533045403172543,2.8534395378276827,0.4347686746918413,0.004975629260322,9.983443708675852,3.8026690859640486,6.1587983581918415,0.9241479822047608,5.761893563676582,12.91589758997242,0.6902426546182625,7.398919901972312,0.5845330612607077,25.61111562807458,-0.5820070321427574,-0.7610995979833669,-0.3017511647532255,-7.398919901972312,-0.5845330612607077,-14.068637146784942,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.544322163833725,12.35726180347604,13.133509042386963,13.869598683410864,14.563444001448788,15.214194896975078,15.822028290778956,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_97,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0909483444500577,0.5670023655775122,1.711809374340337,3.532306048610533,5.358210560504074,6.586689931591376,7.235099230311185,7.538492113650527,7.652323659153644,2.8726346072891307,0.415615988381134,0.0042512011921467,9.94718576727136,3.903772920794237,5.906665127477705,0.853143640979564,12.256356472289816,28.332054577889046,1.0845176365869675,5.818225408288872,0.6574113414205005,32.82985111990736,7.896006403305765,18.95622062330382,0.4269095790827008,-5.818225408288872,-0.6574113414205005,6.525528819736691,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.865284129602385,12.645512838848738,13.403228053219156,14.130644384272149,14.821940735303809,15.473432638193112,16.083332932228185,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_98,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0998096856832724,0.5887875064164693,1.7045022541954873,3.486568137359237,5.305061279227872,6.533654558404172,7.181987469498958,7.485167797639142,7.598882073578591,2.8358025104254576,0.4362566464257926,0.0051453327763158,9.606119675743807,3.6354269687781096,5.9864114141344285,0.8848218072921838,9.946454231480088,22.95933518721891,0.8661823835551895,4.71337563567449,0.5837573325064739,26.77149706590984,6.27026265418273,15.09379911187211,0.3500713828695219,-4.71337563567449,-0.5837573325064739,6.127057038483144,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.09160325048096,11.919710813783892,12.708647384239658,13.456340169129364,14.161606708653045,14.824106543714942,15.44424240522871,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_99,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0907657423864121,0.5789368393381189,1.742388400832945,3.5885996869527768,5.43482251764638,6.668140111704692,7.315956093426552,7.618334257399925,7.73166564383892,2.919193100446781,0.423052819268791,0.0041841214778927,9.75168444639996,4.003552261054287,5.90364344817,0.9506463917755368,9.6246890233206,22.281834487778724,0.8073477208839007,3.7844450670725287,0.5219153481165364,24.21945544481189,6.7740119411051,16.19833227653235,0.422554851448027,-3.7844450670725287,-0.5219153481165364,8.827740667376942,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.059578227215397,11.84897759127374,12.62134919981082,13.368880162874593,14.084887958982584,14.764526387719751,15.404845233920929,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_100,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0929123882770608,0.5845567822185835,1.7745050905369697,3.8361877982455352,6.052836982953568,7.580465242093598,8.392429822292529,8.773186247530273,8.916150782807954,3.06521608232726,0.4280329937716062,0.0043858558220629,12.491866610839567,4.6545426284082,7.553496307547945,0.981678408739576,10.322601350365098,23.99990065742333,0.8028962102243359,2.641325577075969,0.5064394519165969,22.970410670850924,8.483325923079992,20.128912911988326,0.6075483352840455,-2.641325577075969,-0.5064394519165969,15.156495673239313,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,10.92404108808704,11.703890243657655,12.470158439939691,13.214486301358727,13.929621448710176,14.610185491033375,15.25276520386715,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_101,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1015288864590485,0.5929646968417669,1.7802428844611715,3.862471569356316,6.061295648138518,7.560621853272925,8.354381470456369,8.72605841059174,8.865538262039188,3.087905675604315,0.4395771190930654,0.0052987123522733,12.33263539729874,4.62142662491442,7.522322052954728,0.9740108924080296,3.816249938810661,8.488436214597648,0.4321541963747553,4.922332099461845,0.4847630627614341,17.289797990899025,-0.6813813916815151,-1.1323496111885898,-0.1970390553400694,-4.922332099461845,-0.4847630627614341,-7.877932077693964,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.380770417935723,12.200847738921498,12.980574678769738,13.718282655649649,14.413084330342492,15.06486027951418,15.674182988351491,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_102,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0916747637118726,0.5693919569601463,1.7028944018269554,3.6382365814959408,5.710647174976431,7.138602340744692,7.897784185831677,8.253850428530406,8.38755519415302,2.9163485038199704,0.4183755716282065,0.0043051703720729,10.845376257378662,4.0553610457173095,6.671686708643356,0.876638258950054,10.114571424692356,23.50487896108957,0.7890703776561875,2.682328199274811,0.5066057359067405,22.727064658689347,8.211836904197039,19.49872542296174,0.5854102470105172,-2.682328199274811,-0.5066057359067405,14.58065943286254,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.25729661216043,12.04713990849865,12.817855839023585,13.561724785195985,14.27235489562778,14.945268055796284,15.577884092923467,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_103,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0990838330176888,0.5836354098831581,1.7094066185621668,3.6242479829742806,5.6586771628682735,7.056049933704935,7.7983550292533215,8.14643213668559,8.27712934206781,2.9121719414063416,0.4328258940990333,0.0050561162026644,10.659306823961517,3.973891432109183,6.605169026188948,0.8954399921293036,8.913090619455318,20.621704463242114,0.7386262655409176,3.4515365400251867,0.506179618500452,22.38824882291633,6.247661652221311,14.95356927045728,0.3984301548348294,-3.4515365400251867,-0.506179618500452,8.780404394672807,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.031494915074118,11.867138969774016,12.664285495048572,13.42027976812764,14.133462885776623,14.803164652291404,15.429597095457488,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_104,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0921293601013301,0.5782302099483041,1.7600275943014243,3.669500525329683,5.5955533373193465,6.888606728036893,7.569496073830018,7.887674210973764,8.006984260118982,2.974725322798976,0.4229587322175008,0.0043375267542555,10.472006588600262,4.194430949876776,6.294608528677513,0.9342017739904496,9.329056386116504,21.550083745390683,0.8065697493714105,4.254264861028656,0.5354679780251121,24.73987067214289,6.040742973962339,14.515726820510327,0.3461652026345028,-4.254264861028656,-0.5354679780251121,6.323688802666583,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.339390664346096,12.121174936502523,12.887183178611735,13.628508293375068,14.33793901465171,15.0104493610706,15.643103673696256,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_105,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1004226016550886,0.5834036097823746,1.7372874670635228,3.654325050549577,5.5657672955560376,6.829312176641592,7.488990416393178,7.796038882516695,7.910985197112612,2.956827716331245,0.4331915878698344,0.0052042319368993,10.710959245253854,4.025387615378007,6.532222481497786,0.8945092797399445,3.5224151837233504,7.639627312896812,0.5139188804757941,7.177621283908113,0.5540803433128212,21.56528786995856,-2.914221925561232,-6.212479025372219,-0.4683043861136351,-7.177621283908113,-0.5540803433128212,-17.72364279361861,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.593249914905606,12.394115296517928,13.160067656296643,13.887624656908908,14.574638259577467,15.220142650115587,15.824158889479142,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_106,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0931710577026481,0.5647853329428338,1.6733543543552558,3.5322095233113693,5.464251023113693,6.774998288964158,7.467448918927181,7.791382252450894,7.912897443030691,2.846480717256957,0.4171579503782584,0.0044629998785646,10.27013208924322,3.736900224200638,6.247618678321828,0.8096271727882893,12.950044926531058,30.065208833476603,1.0829039467924293,4.580650554349631,0.6109618876012948,31.29443663962534,9.760123002163423,23.225051842502324,0.6203586478596568,-4.580650554349631,-0.6109618876012948,12.792624682314433,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.714989106305383,12.477636517527436,13.222763598059505,13.942151577918835,14.62933219018965,15.279913014858172,15.891428823509692,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_107,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.096614739350082,0.5859836508034775,1.724713274156219,3.477148657564924,5.25230915406334,6.467281486038461,7.114962260724457,7.419430552385482,7.53388975616212,2.8430827170332824,0.4312668598044489,0.0047997151695606,9.43661269421536,3.758660370575954,5.811877948072528,0.8920615604854917,9.298518685379436,21.425451511336533,0.8392367490290983,5.016903934710087,0.5599561232751996,26.29663818564261,5.362159638490078,12.976379951060428,0.2603141252611149,-5.016903934710087,-0.5599561232751996,3.139733234923275,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.294141710174843,12.135958085486577,12.937373049284998,13.695619117281446,14.409072000581338,15.077208767944017,15.700459757885184,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_108,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0982126724445993,0.5891401641263364,1.7219214614205915,3.498003604410705,5.284209838936402,6.488975814465315,7.1256155008958695,7.423654454171309,7.535500825539402,2.854232608346736,0.4349473794532221,0.004979953688958,9.989762432127272,3.805095322621541,6.163010148188822,0.9248410098907844,5.761353974509164,12.91415973094775,0.6904585574610639,7.404937106237955,0.5847964743774401,25.62313359446119,-0.587906870562873,-0.7744720972713816,-0.302450024665092,-7.404937106237955,-0.5847964743774401,-14.093209690585049,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.54261794328713,12.355200596091134,13.131148943530846,13.866999661167918,14.560662138572312,15.211279578910624,15.819021268644349,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_109,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0910293474666383,0.5673594978464829,1.7126429803283727,3.533690917207257,5.360240713878103,6.589211052731876,7.237893228261773,7.541416475759801,7.655297334576617,2.8738150665343163,0.4158882925262566,0.0042582311576738,9.953053591316044,3.907793222058341,5.909198027976669,0.8541977909305737,12.264050491431457,28.3504630241092,1.084921309142436,5.814696488626032,0.6573974689061566,32.834781911124864,7.907582143161762,18.9830293891876,0.4279511384520552,-5.814696488626032,-0.6573974689061566,6.555975083509636,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.856043498342538,12.636848756921356,13.395032316928171,14.122847501510678,14.814497413647668,15.46631210358771,16.07651279171022,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_110,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0999055473211007,0.5889962373241981,1.7046971940907751,3.486822514568288,5.305451071435573,6.534148309281414,7.182536580335658,7.485742621472887,7.599466494950146,2.8360221394358427,0.4364540641336453,0.0051554654771949,9.608441526244327,3.6356840380272826,5.988495735048542,0.8849930537661498,9.944493365650317,22.95483773654905,0.8659070954856904,4.710866821803093,0.5837107232943357,26.76324118300335,6.270017711326675,15.093120549742848,0.350181235287584,-4.710866821803093,-0.5837107232943357,6.134206775079097,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.092309664876543,11.920579014008414,12.709598196237806,13.457326617342051,14.162603022189952,14.825100479527547,15.445230008915908,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_111,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0908036338189968,0.5791258887689498,1.74300570743916,3.589449265856308,5.435528549539473,6.668675169773281,7.316393402321154,7.618725362420949,7.73203941395411,2.920022084202285,0.4231891756356105,0.004187376478782,9.752336378378144,4.005831528689621,5.903072473099764,0.9515563637557324,9.619858595080052,22.27068029032453,0.8069466393002361,3.782445045830297,0.5216176452268373,24.20699404290835,6.77079028978881,16.19059196735343,0.4223520270649284,-3.782445045830297,-0.5216176452268373,8.823209553496035,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.04553204094384,11.835956041770729,12.609213826486943,13.357544170324784,14.074294843978546,14.754636043846848,15.39562556032628,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_112,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.092949152768163,0.5845957629740324,1.7739295851976489,3.833796171839288,6.048483624822274,7.57486005122103,8.386194799866923,8.766664183164254,8.90952228775646,3.0635292338389903,0.4280908826990234,0.0043894983791445,12.4695294820099,4.64670579919688,7.541756514152875,0.9808430904472326,10.321940170274267,23.998310067172422,0.8029207819077832,2.642482442811887,0.5063933022711559,22.971566315365088,8.481825140025256,20.125430374644544,0.6073616163646813,-2.642482442811887,-0.5063933022711559,15.149199693641014,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,10.933194102629324,11.71171302476258,12.476821994765997,13.220150745163636,13.934433973248415,14.614278494807982,15.256255415550967,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM1289_113,RSM1289.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1015884190274477,0.5930704590802961,1.7798715232685534,3.8607216595835614,6.058205337565791,7.556746498352444,8.350129275789742,8.721638242578164,8.861056394977709,3.0866748388826784,0.4396917360474656,0.0053046439973498,12.317044987206458,4.616041070817043,7.513672764245789,0.9735802138418888,3.824537326021516,8.508019332460385,0.4326620067521086,4.920866170237146,0.4849505707798293,17.300391952145443,-0.6712477129531966,-1.1087070070350835,-0.1961652857719847,-4.920866170237146,-0.4849505707798293,-7.852699748818293,40.0,93.8615,3.0,0.0,0.0,74.0,-6.0,-12.99876,-1.0,-14.0,-1.11,-40.0,RSM1289,11.384137724887042,12.20322987394968,12.982123703798978,13.719139802109256,14.413376526278826,15.06469847386598,15.673662030849435,"[Ag][Ag][Ag].n1ccc(cn1)c1ccnnc1pts,sur.cat0","linker n1ccc(cn1)c1ccnnc1, nodes [Ag][Ag][Ag], topology pts,sur"
RSM0740_0,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0033297147127861,0.1775947818702485,1.2557312135017882,3.580693319528144,6.026351731192563,7.657167586339752,8.509528867947292,8.906270734377053,9.054785143948443,2.707289653036059,0.095113423074448,2.963244208271586e-06,12.093983876618896,3.730232071096332,7.339941392955665,0.4623623041524368,23.480431734559765,52.48214772412289,2.145301072846126,4.553783285285996,1.4243246118381063,58.76891642642999,-23.480431734559765,-52.48214772412289,-2.145301072846126,1.3571596826712216,1.4243246118381063,-58.76891642642999,-22.0,-49.3806,-2.0,4.0,1.79,-46.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM0740,21.15293273563084,21.41836047388848,21.626167052586165,21.791755734751337,21.92575409425554,22.03566907876604,22.126916504179786,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_1,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0033211621652381,0.177397960333406,1.255211170268414,3.5803688028199407,6.026674623071435,7.658075726430587,8.51078259137438,8.907693782135423,9.056272904499894,2.7068243078286947,0.0949863529294512,2.9479177871860843e-06,12.094158777078793,3.7293552919579858,7.340766375843104,0.4621114908149347,23.478175096057704,52.47729569546661,2.144960141622283,4.551266886654262,1.4246895197065204,58.75633443327131,-23.478175096057704,-52.47729569546661,-2.144960141622283,1.3621437709640316,1.4246895197065204,-58.75633443327131,-22.0,-49.3806,-2.0,4.0,1.79,-46.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM0740,20.94779917303305,21.245684954619893,21.479004343837307,21.66496053976561,21.815448724553928,21.9388840478382,22.04134407134869,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_2,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401094872451027,0.4967434472688438,1.3663683212739668,2.952846193562113,4.65447346012664,5.83030470408505,6.457684720743284,6.752565908503724,6.863405020061036,2.359749403490372,0.3910231789020094,0.0198466703108624,8.670585270808699,2.2616622403257547,5.804866557224166,0.4880092324806634,2.98990613532148,6.514580428820576,0.5348195505145439,7.268462539437831,0.3347258384445986,22.487837859410668,2.98990613532148,6.514580428820576,0.5348195505145439,7.268462539437831,0.3347258384445986,22.487837859410668,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.6416004652294,4.255337097247698,4.892461389891923,5.53779144528908,6.178992463105125,6.806834907471988,7.4149706104624,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_3,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416697410400522,0.5216638920659049,1.6089363183210388,3.82606691999481,6.280104490186711,7.979060999822732,8.883412987314717,9.307766975195763,9.46714509087847,2.981424696515933,0.4041775421159914,0.0202046157824422,14.583589375510751,4.113653695297341,9.33013054845934,0.737380937563408,2.251631647009283,4.939943056025402,0.4357682042657818,5.737777281135538,0.1881862780764067,19.24561606355832,2.251631647009283,4.939943056025402,0.4357682042657818,5.737777281135538,0.1881862780764067,19.24561606355832,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.726014293906152,4.39047898684836,5.068220608828813,5.743966744012232,6.406401406120653,7.047723681572101,7.663050833096116,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_4,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405616748442923,0.4981273336650352,1.5672925736100174,3.879025998197576,6.412093492351328,8.135244013142854,9.04322009880993,9.46724341802289,9.626176812071677,2.9965379810991104,0.3898478655564664,0.0200194466645483,14.340930626638572,4.11471551164092,8.931536712873253,0.6295598583773302,4.0501726861248,8.828965657430135,0.6885378689813788,9.05385789957452,0.4372539325633626,28.25916980755904,4.0501726861248,8.828965657430135,0.6885378689813788,9.05385789957452,0.4240377537004712,28.25916980755904,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.388569067353863,4.013600610127774,4.663180075792067,5.321381637652493,5.975347719426124,6.615506704551246,7.235301867003698,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_5,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1423518054347477,0.6399127664785283,2.2730984298719896,5.171559959057433,7.925110985024879,9.68264255495368,10.585448984543026,11.002752883954162,11.15853620866421,4.130806543467903,0.4713786273817069,0.0187569244520648,22.765497043607603,8.273209599669382,12.822736322925405,1.38111617220279,1.7134937244188275,3.7706320422572994,0.3426987448837654,4.455083683488952,0.1199445607093177,15.421443519769443,1.7134937244188275,3.7706320422572994,0.3426987448837654,4.455083683488952,0.1199445607093177,15.421443519769443,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.098291794507345,3.5382835453673525,4.018588230089938,4.52981105860909,5.062039297332182,5.605992975369241,6.153694733229655,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_6,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1436366560616154,0.6123726116696743,2.054123333646744,4.662421937684091,7.228839998772978,8.899437793818263,9.764849139565394,10.166258390435384,10.31631462204136,3.713624523168261,0.4585180227755418,0.0191938019845926,19.38403404664271,6.335860354253756,11.43187362199099,1.074609700047458,2.418361573673621,5.283428342809876,0.4463554831676116,5.989205439014514,0.2439445053432403,19.153075953364706,2.418361573673621,5.283428342809876,0.4463554831676116,5.989205439014514,0.2439445053432403,19.153075953364706,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.309824596941666,3.755593092851911,4.240676008996054,4.755534823209518,5.29001449166695,5.834648720750073,6.381377632224302,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_7,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420853772665506,0.6026023853102239,2.097705423912423,5.0376500652928335,8.015793021643011,9.957295991206273,10.960151854358765,11.424381372212991,11.597755454661902,3.949653381452405,0.4515978158011826,0.0188685978568764,23.57215515265196,7.2897599628677,13.799231496579951,0.9665471697712832,2.6486257174252272,5.8198954534893295,0.5213720926791965,6.819602458858799,0.2029452069120485,23.25291790041761,2.6486257174252272,5.8198954534893295,0.5213720926791965,6.819602458858799,0.2029452069120485,23.25291790041761,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.2401435513817,3.7064479566547712,4.210779304245126,4.742543978354666,5.29125964621091,5.847544133087164,6.403624198546596,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_8,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399111325002115,0.5762448942117971,1.8326458787254607,4.200061330471592,6.63512684706712,8.25773429751077,9.107265763870062,9.503136248642589,9.651402385342363,3.323504329724376,0.4378092641878404,0.0184420463182641,17.33707639001997,4.994159706629574,10.306047614258809,0.5757653153011466,3.3729917836149124,7.402421801688021,0.5588249201182653,6.632708630683154,0.2613773256388946,23.00237942736652,3.3729917836149124,7.402421801688021,0.5588249201182653,6.632708630683154,0.229663735989712,23.00237942736652,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.206048972440946,3.69699711955411,4.223712113821324,4.775564926178993,5.341983540737765,5.91358639342887,6.482717839369579,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_9,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408196297896531,0.5655736743843134,1.698469478332742,3.793919423117475,6.0050672959924,7.51033443819079,8.307161932549691,8.680332584729507,8.820387231635388,3.0132385939535515,0.433528200017973,0.0187350647622038,15.217423164913534,4.133274641623057,9.144781700148997,0.3595871337716919,2.5613596842142377,5.5691688249224525,0.4032496437499439,5.236363948228613,0.2954219269041854,15.76176747560618,2.5613596842142377,5.5691688249224525,0.4032496437499439,5.236363948228613,0.2809911608426689,15.76176747560618,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.198028954631328,3.688212864208841,4.214216282819053,4.765342962907768,5.33098711685242,5.901742301856469,6.4699270075742685,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_10,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405939959717594,0.5070315379930017,1.6054689837204832,4.003549132861721,6.701416672039625,8.569024557879267,9.5616530333028,10.027012980126075,10.201721485006052,3.080199393701432,0.3947093006124508,0.0199947867316551,15.681764199717698,4.510375245006236,9.769993033198883,0.6434625652685286,4.174447692328392,9.156162407707477,0.6921545329497029,8.284377077266004,0.3374934008628938,28.46214976972201,4.174447692328392,9.156162407707477,0.6921545329497029,8.284377077266004,0.3001115540408459,28.46214976972201,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.252891946938268,3.851143949536615,4.477315206659835,5.116165559306138,5.755028707335905,6.384170539834986,6.99665823453769,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_11,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400961195844088,0.513439399500253,1.681847295403734,4.118258213752396,6.786526035460751,8.617375603246632,9.587435194687886,10.041658806403028,10.212104557251967,3.192299190834185,0.3959840752962524,0.0199288181096621,16.286623145117634,4.653991836236489,10.29198138206581,0.8615591716274891,2.3236462121033545,5.099450543113505,0.4511837613469531,5.933116302878979,0.1911007451020421,19.96463223376994,2.3236462121033545,5.099450543113505,0.4511837613469531,5.933116302878979,0.1911007451020421,19.96463223376994,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.386414798771877,4.035529744053937,4.709622429892344,5.390806987656191,6.065123223621507,6.722521357091222,7.356381724988789,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_12,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402316462482239,0.5655721789185111,1.685467596851268,3.910101597555778,6.3554426817869984,8.034239126789558,8.92322805115665,9.339317847059316,9.495422959310854,3.0637269400874136,0.4349195837252977,0.0183366532664525,16.29539072109742,4.127408956087328,9.9698815198483,0.3600851744440355,2.638264550303826,5.740036129519669,0.4636924347077276,6.343692992609371,0.3040736082863998,19.26969260467093,2.638264550303826,5.740036129519669,0.4636924347077276,6.343692992609371,0.303965938312783,19.26969260467093,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.657350567020736,4.156839967325093,4.688147118949163,5.240666366688578,5.80413744175035,6.369647350865289,6.9300718114350826,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_13,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412876463356245,0.5084032416905881,1.6624052970312748,3.9864075294961183,6.383249698477684,7.9678268843858175,8.792838692946317,9.176200564530593,9.31960614690189,3.121265335209229,0.3938606783858388,0.0202864160648484,15.33320906666084,4.410086057817453,9.817778555737076,0.8517867149639909,2.1549465671638828,4.742071978265615,0.4309893134327764,5.602861074626094,0.1508462597014716,19.394519104474945,2.1549465671638828,4.742071978265615,0.4309893134327764,5.602861074626094,0.1508462597014716,19.394519104474945,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.440525178237752,4.089792145955957,4.763270327041392,5.443169853378358,6.115630764059517,6.770695113195093,7.401821398471341,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_14,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409794389011465,0.5033496930075592,1.3808313623041129,2.9406069891696505,4.635245590941751,5.825000368281408,6.465372811533035,6.767577368840199,6.881361032545363,2.357152467171374,0.3949110390205276,0.0200858031602956,8.62920205033459,2.373128367990542,5.574494063553921,0.2930669419337364,3.1323071706113867,6.832321451827386,0.5187871454085509,6.667809251853459,0.3262674496551219,21.034151757272216,3.1323071706113867,6.832321451827386,0.5187871454085509,6.667809251853459,0.3101656736972893,21.034151757272216,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.200805911083328,3.801766305470149,4.432270899513243,5.076396820012791,5.720931871739384,6.3557452290215455,6.973639642463367,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_15,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419483987134081,0.5104203280288192,1.5576894099171923,3.683318962839263,6.016428257307538,7.62599755583608,8.48181333658357,8.88324683614296,9.033997739799307,2.8762414493469444,0.3977443546013517,0.0203669182765591,12.975205083512709,3.679692480688337,8.302727927312494,0.5286756386642529,3.58849380610812,7.875325463794474,0.6236350593096585,7.657876803387618,0.2869622870184086,26.28132165463887,3.58849380610812,7.875325463794474,0.6236350593096585,7.657876803387618,0.2628749721394193,26.28132165463887,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.1294411009154413,3.735320288091794,4.3696471158072825,5.016701690944849,5.66348323190169,6.300041281347055,6.91931584843196,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_16,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1382067959498582,0.4928504531668355,1.519128157674203,3.6029380047713455,5.860891714590034,7.408741758199301,8.22976365679592,8.614520616259417,8.758957620637329,2.8154515517333767,0.3849168736108455,0.0194327779384735,13.56860187632295,3.620712243085615,8.60020386335714,0.5098281712346796,2.3837454104479723,5.194909241804214,0.427313482388017,5.802253269552109,0.2683387190926697,17.993216714921335,2.3837454104479723,5.194909241804214,0.427313482388017,5.802253269552109,0.2683387190926697,17.993216714921335,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.1032874064402862,3.730796593608789,4.390691047200698,5.064334288155988,5.736711111733946,6.396678147970343,7.036615620983645,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_17,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401469700331263,0.5003361203484832,1.509698918793858,3.4869346860796937,5.6018768155351575,7.042909251783921,7.804945756810254,8.161555860098236,8.29534690323267,2.744218692733156,0.3905296397326081,0.0199538537428717,12.364492583526804,3.405185984523627,7.840324374869095,0.3947572561218044,1.2738381502600913,2.79680349903936,0.2485652070086992,3.2623598063296853,0.1021937589091763,11.030373739308487,1.2738381502600913,2.79680349903936,0.2485652070086992,3.2623598063296853,0.1021937589091763,11.030373739308487,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.243587833722802,3.894676537636764,4.573448317803461,5.261154566285615,5.943056127956403,6.608487654777399,7.250384153631605,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_18,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402361010822837,0.4876477953320538,1.4424177255616024,3.5220273202599106,5.858590904305674,7.471243407809707,8.326812710415542,8.727570663431864,8.87797082454421,2.720882255572635,0.3853262711821551,0.0199398442536631,12.737164955238756,3.356771200954692,8.022367670399468,0.3698926325166481,3.454299929162032,7.561092953728022,0.6162955935511204,7.940994792296964,0.3168947050848261,26.143844688890297,3.454299929162032,7.561092953728022,0.6162955935511204,7.940994792296964,0.3052747795181252,26.143844688890297,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.3189444428589177,3.93620837292924,4.577110988286829,5.226582763995102,5.87247185041087,6.505680721766144,7.119908473425393,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_19,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400440558852741,0.4956912953113695,1.3625062603122435,2.9463871582111207,4.646047786263692,5.820726708128531,6.447545277886223,6.742174218568714,6.852920363204428,2.354110204096269,0.3903892385583696,0.0198336644026451,8.658807972214449,2.247797043638132,5.7973811153948445,0.4794782320869519,2.991900421463755,6.518987015816794,0.5352377941911577,7.273802774993017,0.3347764256664386,22.50714348606227,2.991900421463755,6.518987015816794,0.5352377941911577,7.273802774993017,0.3347764256664386,22.50714348606227,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.633752246707051,4.247551763823269,4.884832402151109,5.530393171900172,6.171878118800788,6.800038686138913,7.408511254764323,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_20,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418871949014539,0.5220550858571757,1.6087143300098758,3.827223139336133,6.284848344419531,7.986716335854332,8.89267619708052,9.3177921619729,9.4774573232778,2.98171840902522,0.4045749149852928,0.020262698809498,14.603678707239595,4.113800641034944,9.345599709214934,0.7377105557245517,2.261828733448018,4.962101421923844,0.4375330184614179,5.762092881139361,0.1894767406205512,19.31816762505916,2.261828733448018,4.962101421923844,0.4375330184614179,5.762092881139361,0.1894767406205512,19.31816762505916,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.7369414828322594,4.402266693449861,5.080605172048921,5.756718840327113,6.419327526302538,7.060664654956344,7.675878709215762,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_21,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405283573825912,0.4976911785268352,1.5634759259556112,3.871149988751912,6.402897710670134,8.126092739692455,9.034295020369235,9.458463083683652,9.617456594706953,2.989748400182301,0.3896404080953837,0.0200101167321411,14.311682164785635,4.091064709495258,8.92056525019305,0.6221800067501461,4.049652478510821,8.82798680455393,0.6889978264121486,9.062084885747469,0.4369667179445261,28.29083082071473,4.049652478510821,8.82798680455393,0.6889978264121486,9.062084885747469,0.423883260219131,28.29083082071473,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.3892210304144936,4.014568950433276,4.664385486519531,5.322763027566715,5.9768573402339085,6.617107145831392,7.236964035412919,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_22,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.142382658149545,0.6397329125932141,2.272108553542846,5.1686718627704735,7.920515370397887,9.677032040445916,10.579334606620993,10.996408871473609,11.152106947019156,4.128602281700422,0.471266194745214,0.0187709502090742,22.745237257096267,8.262363700565775,12.813567592443494,1.3780905466841638,1.714867909011442,3.773656006910947,0.3429735818022884,4.4586565634297495,0.1200407536308008,15.43381118110298,1.714867909011442,3.773656006910947,0.3429735818022884,4.4586565634297495,0.1200407536308008,15.43381118110298,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.097650616860685,3.537735898479832,4.01810385166652,4.529370654322161,5.061630946270481,5.605609609929053,6.153332398278349,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_23,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1436775765391967,0.6127337434110778,2.055768813645908,4.665781189434432,7.234185876686995,8.906318560039718,9.772591088837409,10.174413414249504,10.324626146267375,3.71635496419152,0.4587291339296214,0.0192052271447436,19.407027255591128,6.34693485733386,11.445827981435936,1.0776024341899364,2.4162755605372674,5.279363308918606,0.4464476599064561,5.9878568397889165,0.242848069049517,19.16995839076559,2.4162755605372674,5.279363308918606,0.4464476599064561,5.9878568397889165,0.242848069049517,19.16995839076559,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.310379925451373,3.755964068275917,4.240912826814017,4.755673273641383,5.290079515962499,5.834657330699312,6.3813411626647545,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_24,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420261683897207,0.602486749227211,2.096727985991003,5.033893697421561,8.009489753078821,9.949668664790195,10.951952091393167,11.415942286015952,11.589231128452449,3.9469410810256296,0.4515000994036322,0.0188538721672985,23.542197684423176,7.276699076771659,13.7856661575141,0.9652032710060988,2.6485459589221105,5.819832542907754,0.5214662373374234,6.820275857621497,0.2027084214632447,23.259906819009085,2.6485459589221105,5.819832542907754,0.5214662373374234,6.820275857621497,0.2027084214632447,23.259906819009085,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.239566295259526,3.705941121242784,4.21034058143198,4.742171038165451,5.29095023327021,5.8472964804341485,6.403437370702719,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_25,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398966629875608,0.5763113902190986,1.8333723423564123,4.201442241380738,6.636058224111158,8.257905841464861,9.106928004592708,9.502538732051754,9.650704167244818,3.324783039509916,0.4378316308007549,0.0184377896421206,17.341173972974303,4.99952776289752,10.30532707538422,0.576307471849382,3.3808987998724453,7.42009433086003,0.5593029083983859,6.627229409025404,0.2612307550882795,23.006957424450672,3.3808987998724453,7.42009433086003,0.5593029083983859,6.627229409025404,0.229066423568338,23.006957424450672,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.205523524244589,3.696731803299254,4.223645146500603,4.775649653813544,5.342184207890271,5.91387533183182,6.4830735414231295,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_26,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408590768798241,0.5655823162363749,1.6985551277576916,3.794364642049256,6.005460291207645,7.510439981517302,8.307049013159933,8.680103693785272,8.820112719880616,3.013583544358703,0.4335519700373195,0.0187464668012903,15.215894286615844,4.134249213535966,9.144194110920852,0.3605933501691434,2.562402435845234,5.571129285304532,0.403489972746346,5.243805579372062,0.2961525998915459,15.770605736816696,2.562402435845234,5.571129285304532,0.403489972746346,5.243805579372062,0.2818390688846808,15.770605736816696,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.198312038611439,3.688646972698704,4.214780832448597,4.766014956021151,5.33174291260967,5.902559007121015,6.470783372298502,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_27,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405319789316867,0.5065869807183743,1.6051880718584235,4.007845914145191,6.711015261953476,8.581779085396844,9.57590454308144,10.041924784193869,10.216874506862307,3.082577031387791,0.3944245865743367,0.0199784069817321,15.724309560584867,4.521762980900829,9.788675794862902,0.6390414772620768,4.186961649465918,9.183408294353068,0.6940584537675283,8.308135422895921,0.338823092994695,28.535322570551337,4.186961649465918,9.183408294353068,0.6940584537675283,8.308135422895921,0.301336825318951,28.535322570551337,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.2506268079738687,3.848680565995213,4.474750789861003,5.113571460947648,5.7524554004499295,6.381652455773429,6.994217853752133,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_28,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400600190689193,0.5132616836223558,1.6820404384306844,4.12182450928477,6.793790258248906,8.626658368414109,9.597599130505852,10.05219113152663,10.222767948254903,3.1944718838573185,0.3958656278750091,0.0199188969643889,16.323445796833177,4.665897662215928,10.308026877132564,0.8579856981134482,2.317414749920798,5.085487014397764,0.4496921795493079,5.9149521863152605,0.1911796504076444,19.89137881884756,2.317414749920798,5.085487014397764,0.4496921795493079,5.9149521863152605,0.1911796504076444,19.89137881884756,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.384205390587964,4.033106243083459,4.707046007312387,5.388131842548466,6.062395129414786,6.719777658913388,7.353652070721063,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_29,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402632997672314,0.5656729097650762,1.6855952439438486,3.909190217094112,6.353670159171188,8.032171478581027,8.921093295011786,9.337171355579176,9.493275182437278,3.0632222936439946,0.434980524453171,0.0183466229390453,16.277612035180827,4.127749180953142,9.956304856669284,0.3605902555616882,2.634707928251215,5.731760533279253,0.4626687788829104,6.3334926348251255,0.3046481800333341,19.214863062374413,2.634707928251215,5.731760533279253,0.4626687788829104,6.3334926348251255,0.3045809877252792,19.214863062374413,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.65670258676388,4.1558919927291615,4.686930434786858,5.239217809356505,5.802496248164545,6.367852194183108,6.928158627819388,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_30,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412668398735194,0.5082892224157249,1.6615120834233723,3.983263076318804,6.377352095087311,7.959997443584778,8.783985065669922,9.166868266553704,9.310094438576224,3.119026849104756,0.3937907253414268,0.0202808241548366,15.311248811991732,4.400349930666793,9.806462174982038,0.8523185916593282,2.1453550062190643,4.720965249645374,0.4290710012438128,5.577923016169566,0.1501748504353343,19.30819505597158,2.1453550062190643,4.720965249645374,0.4290710012438128,5.577923016169566,0.1501748504353343,19.30819505597158,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.44097880980729,4.089770331340157,4.762896329968323,5.442541253702529,6.114823041116988,6.769765689265729,7.400813407688584,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_31,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409205084762519,0.5044799408202767,1.3861073342149794,2.9484558293961176,4.642571090497881,5.831019651517453,6.470490651036443,6.772231707815137,6.88583515554738,2.3645508094514263,0.3954951439654192,0.020063147127481,8.651011441589844,2.3921474594725867,5.588627331789984,0.3012930787990218,3.128478689943212,6.823477320864889,0.5187204799265216,6.677356498948777,0.3269203578786643,21.040017211582644,3.128478689943212,6.823477320864889,0.5187204799265216,6.677356498948777,0.3111828666061103,21.040017211582644,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.189859012427211,3.7904769365495454,4.420906958837696,5.065166372709955,5.709985826325085,6.345185771498877,6.963530266272889,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_32,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420185474803285,0.5105947445423247,1.5581118720309737,3.683361590810933,6.015743401645659,7.62480537904111,8.480363744710965,8.881680360667485,9.03238805564857,2.876493469890004,0.3978753554035344,0.020387201328397,12.966312153569174,3.67934030572518,8.297441780276074,0.5292039816264976,3.586597188395522,7.870876630336269,0.6233382573538064,7.658021658216675,0.287428123929821,26.26729496122318,3.586597188395522,7.870876630336269,0.6233382573538064,7.658021658216675,0.2634564632652917,26.26729496122318,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.1330285100338715,3.739611577810954,4.374505395399239,5.021991785017165,5.669080772054405,6.305837445960264,6.925218947689292,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_33,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1381472045451769,0.492812279740956,1.5188662400271442,3.6005743565645387,5.856053173253852,7.402407323908912,8.222712403463287,8.607151369351607,8.75147189465835,2.8139717564434656,0.3848560400420695,0.0194160301629733,13.553861289601013,3.614677338588825,8.592769322348332,0.5081248942982695,2.3808484266479675,5.188570891161501,0.4267706088772349,5.795013297665847,0.2680390041482957,17.969700488166602,2.3808484266479675,5.188570891161501,0.4267706088772349,5.795013297665847,0.2680390041482957,17.969700488166602,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.108124218193506,3.7364963560430815,4.397079184477535,5.071238084948874,5.743971986571268,6.404157883643201,7.04419837833605,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_34,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140138028719383,0.5000969025917923,1.5082671380602666,3.484513603343961,5.599010098501992,7.03972052396744,7.801546107444133,8.15804548319583,8.291792879442488,2.7420397212069343,0.3904083875050963,0.0199518178223989,12.359844938985738,3.400131215901278,7.838082262718225,0.3926735804144609,1.277504690187644,2.804981616519145,0.249405779366232,3.2727509251175,0.1022251615228581,11.070881104698024,1.277504690187644,2.804981616519145,0.249405779366232,3.2727509251175,0.1022251615228581,11.070881104698024,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0740,3.240416280631996,3.8911199844396087,4.569584337554902,5.257067363663893,5.938825057951179,6.604181524422805,7.2460592672863795,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_35,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401038859115952,0.4875068438695484,1.4418788530893816,3.520350527930566,5.856113507164078,7.468387530815129,8.323793836095746,8.72448272423804,8.874858058420886,2.7195871859856093,0.3851734323962403,0.0199021595910397,12.727254676631224,3.3534537453667994,8.01662898254218,0.3685818461251447,3.456550483037136,7.565966527201215,0.6167323182621063,7.947539999751867,0.3172210149420859,26.1626668813507,3.456550483037136,7.565966527201215,0.6167323182621063,7.947539999751867,0.3056220641725543,26.1626668813507,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0740,3.312972798447793,3.9298824355654673,4.570529503245559,5.219850433666251,5.865685129482753,6.498921741975218,7.113243591161853,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_36,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1058789155381162,0.7282896415216721,2.20432575187668,4.385341900228981,6.424034307017212,7.7481571721340625,8.43703633887374,8.757489975400826,8.877446441644402,3.616911609508902,0.5285318240193698,0.0039576509923723,13.559453621756754,6.427899320339899,7.693835218473405,1.7388374759763845,1.5530882280799831,3.367301778950321,0.2614158530673591,3.644415052618856,0.2112762444859768,12.993758201747095,-1.061070302593607,-2.38529000404051,-0.2614158530673591,-3.15239712713248,0.0282851473388257,-12.993758201747095,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,8.168412963693141,8.914702094862674,9.660080629631926,10.39983476466165,11.127907295690544,11.838230382169952,12.525515123105558,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_37,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2269230960578604,0.9184308514931538,2.090155349703316,3.791475886551616,5.51105974537929,6.679983674442564,7.300137656094607,7.590973695518878,7.700196821815925,3.175691900586885,0.7284272154537563,0.0239992760456605,10.567942886813231,5.156179371516636,6.259634173241203,1.6178042003857054,2.5024436848677047,5.44998663056561,0.4449812620455149,6.0622937812318245,0.291736755289594,21.411843665248824,-1.947368935587444,-4.3420574310022095,-0.4449812620455149,-5.507219031951563,-0.019750128142266,-21.411843665248824,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.23852189545303,9.985418772098864,10.724296995811182,11.447165687708292,12.147505074830354,12.820379470353869,13.462370586487168,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_38,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2236544136564822,0.9388201474717156,2.2638846261498555,4.1956369513031095,6.129866471864298,7.450977577419977,8.155671770619369,8.487161062540917,8.61182160367191,3.5008521433473727,0.7354779074899651,0.0238292712641049,12.236778642819823,6.370694256403188,6.886187125772612,1.8532891887785008,2.612890357580477,5.695216994065333,0.4692086514281954,6.36655956900604,0.2949781072152234,22.448624816466296,-2.0791961567014767,-4.629963369110849,-0.4692086514281954,-5.83286536812704,-0.033467948784513,-22.448624816466296,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.999679453804944,10.701511363134166,11.396065134024555,12.076242266884329,12.73595048821996,13.370449650126076,13.976394484872689,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_39,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2289769632047536,0.9559363171514416,2.345527009231184,4.488158380496182,6.672194285970096,8.15639305833371,8.943063558842638,9.31177686941971,9.450209415999884,3.707974017027886,0.7491524373782895,0.0241938214280784,13.955349523763411,7.232856726527245,7.702990008173684,1.9378596459345203,2.618824811764745,5.716847486372705,0.4787762154271524,6.449034535181964,0.2777941053677047,22.66964836736677,-2.1689373425067795,-4.818872097733807,-0.4787762154271524,-5.999147065923999,-0.0573492454313016,-22.66964836736677,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.33272786744123,10.090061150696238,10.82917306794343,11.545678737904252,12.235757711963862,12.896402056440603,13.525507815424154,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_40,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1521532891954662,0.7762716553918458,1.9257629819843545,3.773351030320904,5.761867569383839,7.14826659059069,7.891097110875317,8.240854752533567,8.372412662372586,3.085379907756122,0.5982702044839288,0.0088512521244634,10.26109630286699,4.948591257200097,5.786887490550847,1.300575887734537,2.081501531819616,4.35004785995971,0.1851436612929658,3.4754569848255743,0.5658430364990219,13.848799372944091,0.2759564122256243,0.3768519359469137,-0.1759653626258324,-1.2281386247859356,0.4353246437272325,-13.637698503600024,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0740,6.823771952947261,7.632866547656325,8.439283329267205,9.235189148257446,10.01404733034835,10.770444048482911,11.500063738846002,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_41,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2261539203000762,0.9405687850598718,2.27197150519056,4.387746866005189,6.618901609855407,8.159600631567844,8.981880586579043,9.368427862912968,9.51373152481709,3.606385044033516,0.739160153690169,0.0238977041318199,14.131079532837417,6.845032336390984,7.868420384324642,1.8545411245491377,2.51645769374615,5.471288692015055,0.4385708516037304,6.025024506575991,0.3089676027907775,21.353705500805354,-1.869250822291155,-4.179690954367866,-0.4385708516037304,-5.377817635120999,0.0019680066681665,-21.353705500805354,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.343186374678504,10.07653401164206,10.798346759261298,11.502455417911452,12.183710307843642,12.838144160259327,13.462970349970222,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_42,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172431169855621,0.9228455638171524,2.3477419229397083,4.607563798708931,6.859509149705822,8.357885063269118,9.143669949875454,9.510237432341984,9.647598687587038,3.788057940909071,0.7196953573267845,0.0231267178218894,15.939538405425711,7.43033404983587,9.078480515905802,2.000004351709937,2.399788334898497,5.280859019937558,0.4799576669796993,6.239449670736092,0.1679851834428946,21.598095014086475,-2.399788334898497,-5.280859019937558,-0.4799576669796993,-6.239449670736092,-0.1679851834428946,-21.598095014086475,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.683818125821048,10.419746914767671,11.135880390699326,11.82872052423451,12.495123078068415,13.132617946468534,13.739516509737246,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_43,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0997945871381712,0.7684810358301654,2.5559081365026155,5.201073564569759,7.603309036582613,9.13363690367907,9.92229341449612,10.287616699277644,10.42413140574135,4.2781043802516585,0.5421136206434991,0.0035269069680602,20.003562654620428,9.103236496940616,11.427984798037636,2.3263004633145434,1.678643923915855,3.693943244060883,0.335728784783171,4.364474202181223,0.1175050746741097,15.107795315242695,-1.678643923915855,-3.693943244060883,-0.335728784783171,-4.364474202181223,-0.1175050746741097,-15.107795315242695,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,7.751173578037605,8.497562120894102,9.240699506402969,9.975877125054213,10.69802764468404,11.40224970841197,12.084233319389904,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_44,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2153343294025824,0.919626526569876,2.34022939165718,4.649512460837449,7.008408373404718,8.594492886482033,9.42926129616861,9.819171703936012,9.965347290227813,3.803371224777829,0.7170226172108721,0.0226030299832558,16.76979288326955,7.505910785019346,9.64646644875263,1.98241497821942,2.4808133570727824,5.459158794533226,0.4961626714145566,6.450114728389234,0.1736569349950946,22.32732021365505,-2.4808133570727824,-5.459158794533226,-0.4961626714145566,-6.450114728389234,-0.1736569349950946,-22.32732021365505,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.804875022064524,10.517152594747294,11.213002114626129,11.888592814802305,12.540415211023005,13.165646640333492,13.762276764203266,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_45,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2296774970899341,0.9480549701050698,2.289652742251446,4.442718304280914,6.725548403496079,8.307750969906497,9.153833276468276,9.551927351631134,9.70162758736224,3.645983540950745,0.7460735852178385,0.0245042763222661,14.485582999988564,6.924583924208118,8.266910463641162,1.9122219982461768,2.647863707258804,5.777538138283234,0.481444501735169,6.499419721140158,0.2864197629129585,22.868208570997403,-2.1665813100928872,-4.816898473540064,-0.481444501735169,-6.018137323974241,-0.0505913883016594,-22.868208570997403,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.17319739634624,9.91155460676624,10.635854856626374,11.34104074313612,12.022784663690324,12.677671065773456,13.303245963718805,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_46,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2287953826215909,0.9434654938274992,2.1969249335366263,4.021475012967579,5.8981797200387005,7.197064728711289,7.893057709683759,8.220971822017441,8.344358175666944,3.358906570279334,0.7436982946611195,0.0242426249403172,11.520311035258056,5.710057243936839,6.734693121637711,1.76603805929874,2.4066477949619705,5.244224511405786,0.4307516061067051,5.852660643815612,0.2746790467072844,20.64827109694396,-1.9008682661050813,-4.234688571807436,-0.4307516061067051,-5.346881114958723,-0.0268470775674088,-20.64827109694396,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.338829068861854,10.050516940384494,10.752584355058556,11.439303233602557,12.105708530170077,12.747827118081192,13.36273844789334,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_47,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187847018767092,0.9190368523154884,2.27553687681133,4.434809388268246,6.631311020022431,8.106148684895976,8.88194677499128,9.244236783655287,9.380046710067267,3.6454054371859774,0.719659100763786,0.0234925303165353,15.54237431517556,6.611402235904816,9.396615476749872,1.870759016046481,2.261324105527327,4.97616128306637,0.4522648211054653,5.879442674371049,0.1582926873869126,20.35191694974594,-2.261324105527327,-4.97616128306637,-0.4522648211054653,-5.879442674371049,-0.1582926873869126,-20.35191694974594,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.748401587514184,10.453643634771792,11.14595163883982,11.82030036507557,12.472380920032368,13.098837730500524,13.697304007778518,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_48,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1002958586159964,0.7698789876244453,2.516453486077549,5.026706179473998,7.302917983779871,8.76706424332933,9.526949710303017,9.88020757490145,10.012418642289076,4.1548188756629525,0.5438989121985742,0.0035677508554463,18.855053556357767,8.463767194121099,11.010504287419623,2.249719165422346,1.5809833906096058,3.4790361621727497,0.3161966781219211,4.110556815584975,0.1106688373426723,14.228850515486451,-1.5809833906096058,-3.4790361621727497,-0.3161966781219211,-4.110556815584975,-0.1106688373426723,-14.228850515486451,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,7.796376696602291,8.52914930289133,9.259360704705838,9.982887693994403,10.694877959336816,11.390446275475162,12.065198256236112,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_49,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172926624089909,0.9214117294009452,2.3170309030818546,4.587931935024728,6.961533081223432,8.584657175382436,9.446118004048008,9.850009683001073,10.001661835729058,3.7502457319429454,0.7195128723744585,0.0231119984714675,16.162540763493308,7.065328643852342,9.609896303500944,1.9453136458027944,2.1909475887217127,4.821294098256742,0.4381895177443425,5.696463730676453,0.1533663312105197,19.718528298495418,-2.1909475887217127,-4.821294098256742,-0.4381895177443425,-5.696463730676453,-0.1533663312105197,-19.718528298495418,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.769801234324492,10.4816771435743,11.178664467354793,11.856157489906064,12.510204116158748,13.137733346381818,13.73659971952769,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_50,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2288541680103906,0.9472386224621242,2.284914688359148,4.417073523738779,6.663712913657414,8.21421388143165,9.041657221033493,9.430640409815386,9.57686281258753,3.629678712410983,0.7451240033110083,0.0241969674760054,14.113507813737112,6.806104919871851,8.066732019926041,1.87238177633238,2.493451771062119,5.435646575125202,0.4485087802467966,6.081522013036492,0.279922929302165,21.437434460246525,-1.991636031405848,-4.434022358771286,-0.4485087802467966,-5.579706273380221,-0.0340332168705922,-21.437434460246525,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.2489875956776,9.962607826329132,10.666985817332716,11.356290756421618,12.02548190696387,12.670524980798266,13.288447787880282,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_51,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3112892315204573,1.215850637339777,2.8509057565722875,5.115515650590765,7.280891512233099,8.723352496141551,9.483970556647424,9.839971533391006,9.97357437859207,4.315743896338216,0.9606930001973132,0.0380700598326563,17.913552913112422,10.125159047989722,9.251279515982304,2.4400914942627967,2.8991414669075257,6.379711553286291,0.5798282933815052,7.537767813959568,0.2029399026835266,26.09227320216773,-2.8991414669075257,-6.379711553286291,-0.5798282933815052,-7.537767813959568,-0.2029399026835266,-26.09227320216773,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.91097335029282,10.687448474524093,11.446088384553278,12.178862794680017,12.8796227890766,13.544259183294908,14.170511616279986,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_52,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3096591654717462,1.2461533429965952,3.0845398401231465,5.700078232933831,8.17300803303823,9.792769542694806,10.63807279008928,11.031720079481556,11.17913299726006,4.776594419499783,0.9734092194676296,0.0383306857165741,21.973334272324056,12.08396911625772,11.22734949251314,2.792870078315673,3.022360178175118,6.650860734803612,0.6044720356350235,7.858136463255305,0.211565212472258,27.201241603576065,-3.022360178175118,-6.650860734803612,-0.6044720356350235,-7.858136463255305,-0.211565212472258,-27.201241603576065,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,10.636657124421369,11.293768915326396,11.949123024882487,12.595194787762644,13.22449634217159,13.830864096997658,14.409865999551048,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_53,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3125793834638797,1.2164907336639077,2.865702730700255,5.194630429510547,7.435682933927294,8.93073535381273,9.719528924205328,10.08881172632376,10.227414158937354,4.369082114145079,0.961744188584556,0.0384047597920294,18.53446192002,10.25599614906127,9.739795722994366,2.464156463482025,2.865438180425168,6.305545718810964,0.5730876360850335,7.450139269105437,0.2005806726297615,25.788943623826512,-2.865438180425168,-6.305545718810964,-0.5730876360850335,-7.450139269105437,-0.2005806726297615,-25.788943623826512,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.867639091004454,10.637368688042054,11.3929247447679,12.125022531011062,12.826672784603408,13.493195244356844,14.121936979195572,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_54,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.10585021972949,0.7282439479126083,2.204674646201174,4.385919673825204,6.424222326589145,7.747941602822292,8.43659319470618,8.75693957487386,8.8768558349117,3.61750172956476,0.5284695789891768,0.0039566608945247,13.563687317440875,6.430512936655992,7.6945139450164,1.7392167941958423,1.5544569514879671,3.3702792360469074,0.2616565338501881,3.647709222289472,0.21142312104297,13.005415434443597,-1.0621083870139154,-2.387608852724087,-0.2616565338501881,-3.1553606578154203,0.0282635473478385,-13.005415434443597,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,8.151257629396223,8.899212961987521,9.645994724153155,10.386947119174277,11.11605529895012,11.827283122745676,12.515365798539472,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_55,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2269387273027967,0.918530583780382,2.0900828649583563,3.7901339283481503,5.507903130695132,6.675548470622547,7.295038055434095,7.585568043123977,7.694677271495165,3.174910703616503,0.7285110452138421,0.023991375477809,10.563955918349896,5.15601782166187,6.253793859781437,1.6174253751331789,2.503382530841761,5.4520369741619685,0.4451537434019809,6.06461247805761,0.2918345789683034,21.419987522248423,-1.9481549031780467,-4.343802629345192,-0.4451537434019809,-5.509384850393893,-0.0197730414130829,-21.419987522248423,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.228614493312303,9.976507659957086,10.716136685439634,11.439581892318516,12.140374747769023,12.8136167181215,13.455916144995363,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_56,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2237870023066746,0.9388926661459334,2.264207612905821,4.197247637492617,6.133476340268853,7.456212707093693,8.161832182074567,8.493767877757639,8.618597946458603,3.501901700592512,0.7355714603244745,0.0238812692640493,12.24631495765853,6.376197009541105,6.89088374565077,1.8543907525121364,2.61403084276142,5.69786125945426,0.4695683222872084,6.370577421059088,0.2947816361499576,22.461520659551265,-2.081652380110665,-4.635233848003352,-0.4695683222872084,-5.838198958408333,-0.0339161894510878,-22.461520659551265,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.992677507794344,10.696011073852931,11.39184401869642,12.073117695786106,12.733764463591037,13.36906230168383,13.975681386431736,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_57,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290144464488009,0.9561442104822928,2.345461258615054,4.486123375468502,6.66822402959933,8.151452056742404,8.937726486059624,9.306281401022735,9.444658860538327,3.706718943545304,0.7493100198624012,0.0241916434848685,13.939958668755182,7.230039429413344,7.693188576517325,1.937605074387047,2.6189979024181693,5.717273895432567,0.4788553347861677,6.449840580707512,0.2777127691339505,22.672096207814203,-2.1695554454435086,-4.820186751311144,-0.4788553347861677,-6.000398123732852,-0.0574859652163666,-22.672096207814203,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.330089944866208,10.087811978933846,10.827149001187523,11.54379283504266,12.233966973209906,12.894687563538048,13.523863028472878,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_58,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1522030068927957,0.7763002601811406,1.9258619334440024,3.773820910446252,5.763131198736512,7.150222470999705,7.893448652837065,8.243396352341739,8.375026228884726,3.085664071085596,0.5983046857876962,0.0088628604353957,10.2648580822009,4.950539510726398,5.78850379879229,1.300646729123523,2.080244707710317,4.347193948915618,0.1850578598689514,3.476369958437623,0.56589450281629,13.849367851257696,0.2740543344020157,0.37257811055129,-0.1761802147927087,-1.228602657240203,0.4354662364003998,-13.645182014504115,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0740,6.8164164255225685,7.626776938365478,8.43415646463183,9.230788649655128,10.010191650951892,10.766996180082314,11.496922081919166,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_59,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2260576796484255,0.9405221279456296,2.271580163391401,4.385273142763565,6.614575384361556,8.15446412073299,8.976454664545583,9.362897113889204,9.508166278811768,3.6047174731105134,0.7390863831414525,0.0238634669337732,14.112611619306731,6.837664341673129,7.859503724113731,1.8534414739010967,2.5147611543370965,5.467473517458825,0.438151467367751,6.019972893279104,0.309018301523966,21.336835119040508,-1.8667535193404128,-4.174277360731568,-0.438151467367751,-5.371965258282421,0.0023122743665405,-21.336835119040508,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.328537302752055,10.063429707977091,10.786442809782477,11.491511183091871,12.173555723205777,12.828657254029514,13.454061986438656,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_60,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172112132367886,0.9226526921149296,2.346983003921236,4.606632956323037,6.858519546576133,8.356628140278755,9.142179450296496,9.508615318291426,9.645923539671632,3.787122104653571,0.7195689701772404,0.0231228310154198,15.937124055117971,7.42580202382117,9.079247254273614,1.998895617646761,2.398827092596945,5.278743756268394,0.4797654185193891,6.236950440752059,0.167917896481786,21.58944383337251,-2.398827092596945,-5.278743756268394,-0.4797654185193891,-6.236950440752059,-0.167917896481786,-21.58944383337251,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.678156257224371,10.41443192068247,11.130838495719772,11.823909338577725,12.4905186077378,13.128206386414105,13.735289309283454,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_61,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0997968675317712,0.7684297610836707,2.5556668550407835,5.2007599903700585,7.602821898526098,9.132876494557811,9.92133634034383,10.286555675576851,10.423029472297095,4.277806662067477,0.54208555580789,0.0035275980195621,19.99958852315869,9.100592272212866,11.427461584164442,2.3258709011471934,1.6758334397437,3.687758627494879,0.3351666879487399,4.35716694333362,0.1173083407820588,15.0825009576933,-1.6758334397437,-3.687758627494879,-0.3351666879487399,-4.35716694333362,-0.1173083407820588,-15.0825009576933,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,7.754445608577554,8.50093625811071,9.244048287186036,9.979122513207995,10.701124594559673,11.405174892664734,12.086977498197852,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_62,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2152950958167432,0.9196658741080258,2.340216313351107,4.648150045829746,7.005148056937808,8.589903764145182,9.42397557240432,9.813562562681549,9.959617292456288,3.8026076899932177,0.7170270489245207,0.0225875846624548,16.756569562018974,7.499832621387943,9.640667246595642,1.982391075356733,2.478896361725152,5.454940346587005,0.4957792723450303,6.445130540485392,0.1735227453207604,22.31006725552636,-2.478896361725152,-5.454940346587005,-0.4957792723450303,-6.445130540485392,-0.1735227453207604,-22.31006725552636,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.802539700745134,10.515193211507103,11.211327142548434,11.887141173247864,12.53914542492263,13.164529639254871,13.761291286159532,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_63,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2296880623602149,0.9480014315411645,2.2891105792792685,4.440137699182265,6.720676670619102,8.30149555025859,9.146918754410557,9.544722154088342,9.694316265296228,3.6442280272344414,0.7460349323334281,0.0245189914002674,14.464876296739629,6.914874413871551,8.25794785963945,1.911227236242829,2.645570759739305,5.772463881425634,0.4809580399956787,6.493235079704736,0.286317788281334,22.84701459861009,-2.164009640217482,-4.811267886860076,-0.4809580399956787,-6.011673960182913,-0.0503528397156407,-22.84701459861009,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.171039113209286,9.910299900686828,10.63531720949208,11.341075882164288,12.02327720537756,12.678526816497522,13.304387217120988,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_64,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2286704178718239,0.9432727274767696,2.197274531498038,4.022875075734431,5.90059568733669,7.200234502259892,7.896659371804161,8.224784311290682,8.34825123361601,3.359941076711218,0.7434935499821649,0.024215883734171,11.53598307670178,5.711297113973358,6.748552010426168,1.7667324184208315,2.4090996165633123,5.249676730182521,0.4312975629885308,5.859480120471559,0.2747339298401083,20.671449342587174,-1.903876013321995,-4.241250418112852,-0.4312975629885308,-5.35425651723024,-0.0271743642518627,-20.671449342587174,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.339391404179308,10.050871257032124,10.752787947690024,11.439404126213516,12.105745171239397,12.747828767314,13.362726266358283,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_65,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187616019285589,0.9189481819004924,2.2750627143167423,4.433624267197729,6.629592318316362,8.104136836998144,8.87979077534547,9.242014743694572,9.377800052053482,3.64445839737144,0.719597632541681,0.023486631342197,15.535347986906393,6.607976950976783,9.394512307115376,1.8699008785095608,2.264384074739228,4.982894904435558,0.4528768149478456,5.887398594321992,0.1585068852317457,20.37945667265305,-2.264384074739228,-4.982894904435558,-0.4528768149478456,-5.887398594321992,-0.1585068852317457,-20.37945667265305,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.7671805681318,10.470686917486113,11.161508951795511,11.83456894400322,12.485519992402196,13.110978193109936,13.70855514382112,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_66,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003009960909256,0.7699220577834106,2.5167625299821483,5.028976240576676,7.308631420496886,8.775490586743548,9.53687124938694,9.890837886294523,10.023316021615589,4.156153737873335,0.5439293141730743,0.0035677758538746,18.869924982205813,8.469666754497053,11.01831132573564,2.2503990375441,1.5789883363820223,3.474645941602133,0.3157976672764045,4.105369674593258,0.1105291835467414,14.210895027438202,-1.5789883363820223,-3.474645941602133,-0.3157976672764045,-4.105369674593258,-0.1105291835467414,-14.210895027438202,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,7.799603744894711,8.531881183555981,9.261672469899615,9.984835672334444,10.696508490149649,11.39179972976093,12.06631072351863,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_67,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172456865068097,0.9214087896865484,2.318707034235444,4.594647297978264,6.973940315110782,8.600910102734657,9.464382748367196,9.869210163957224,10.0212124151488,3.754990038852019,0.7194599724383745,0.0231012185741992,16.207932084881783,7.087618925471912,9.629225279531548,1.9478748884309889,2.191874401639792,4.823333598277246,0.4383748803279583,5.698873444263459,0.1534312081147852,19.72686961475813,-2.191874401639792,-4.823333598277246,-0.4383748803279583,-5.698873444263459,-0.1534312081147852,-19.72686961475813,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.770351610577949,10.48230612858814,11.179375537333218,11.856947935302347,12.511066905227093,13.138658763879748,13.737576737321955,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_68,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2288455183725007,0.9474315624171216,2.286634345809292,4.4229368852396185,6.674475198859782,8.228391477148376,9.057649075183637,9.447482007037992,9.594023261458744,3.633900451197887,0.7452231176032946,0.0241851791859439,14.151256275970152,6.826095027628897,8.081381800088115,1.874579409175412,2.494114214318776,5.436937514537834,0.4484781793945372,6.081939649475075,0.2803117882876719,21.440134659484624,-1.990667579626596,-4.432058031692244,-0.4484781793945372,-5.578493014782895,-0.0336229372885038,-21.440134659484624,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.259790729234046,9.97259111661936,10.676174585489656,11.364718492682076,12.033190623188863,12.67756287863304,13.294866375238886,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_69,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3112835197876107,1.2157510191602934,2.850878536980536,5.115833690191132,7.280938735509601,8.722807682230634,9.482993836392506,9.838766651415629,9.972279780398798,4.315982067161605,0.960617544083474,0.0380758134055033,17.911074475881822,10.125744472258956,9.248665147127088,2.439891375113683,2.8989505575235754,6.379291447259619,0.579790111504715,7.537271449561295,0.2029265390266501,26.090555017712184,-2.8989505575235754,-6.379291447259619,-0.579790111504715,-7.537271449561295,-0.2029265390266501,-26.090555017712184,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.9087352901367,10.686135001833946,11.445486913905974,12.17880665854371,12.879980699627769,13.544927642620664,14.17140916303368,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_70,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.309642590093021,1.2460970119923998,3.0841653882975635,5.69815129467823,8.169078836459093,9.787497695910668,10.632115043158231,11.02544800775486,11.172744134036709,4.775327015381396,0.9733621999954662,0.0383295665902731,21.953800962469977,12.077264344086982,11.2175883620081,2.792531416571338,3.022044220036576,6.650165452489926,0.604408844007315,7.857314972095095,0.21154309540256,27.198397980329176,-3.022044220036576,-6.650165452489926,-0.604408844007315,-7.857314972095095,-0.21154309540256,-27.198397980329176,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,10.63377828604672,11.29139877302879,11.947158392209127,12.593557785834864,13.223126358999252,13.829713060183924,14.408895369469628,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_71,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3126683625492782,1.2166428726649647,2.8659588613289726,5.19538916954438,7.4368713144418015,8.932055024035552,9.72086269330267,10.090139251925873,10.22873726624041,4.369642564274172,0.9618877168262762,0.0384268082735515,18.537867327343044,10.25816984320308,9.742192830163658,2.464650108649709,2.865389189226995,6.305437911131843,0.5730778378453991,7.450011891990189,0.2005772432458895,25.78850270304296,-2.865389189226995,-6.305437911131843,-0.5730778378453991,-7.450011891990189,-0.2005772432458895,-25.78850270304296,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0740,9.871415841606332,10.640607730970554,11.395729096830843,12.127469507013872,12.828822045916906,13.49509382796713,14.12362259056039,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_72,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0931419557612836,0.5843359964134702,1.746517567299445,3.5026187230110453,5.221776167575042,6.3729994772283085,6.980584466289405,7.264987903142599,7.371720175116374,2.874420372117168,0.4273763138438896,0.004461992471057,10.518464444259468,3.756893869522516,6.581125595893036,0.922462407136859,4.05898857087706,8.727463417620655,0.6117977141754118,8.953370284280354,0.7041291999613942,26.412919996139408,-4.05898857087706,-8.727463417620655,-0.6117977141754118,-8.953370284280354,-0.7041291999613942,-22.530897137893525,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0740,12.071492000435754,12.82053366492985,13.536313304450315,14.216620189872923,14.85999573823504,15.465714378102742,16.033742636076834,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_73,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0881764823922698,0.5979649479602261,2.030261371051783,4.43775294080559,6.791185260364036,8.329980210188864,9.129607208007306,9.501067411825154,9.640017729084777,3.5680346653762163,0.4279156009865795,0.0039599288819209,15.353272651333226,6.257852593244749,8.820397783503562,1.3207311143400988,7.089767896599214,15.595768319681772,0.7289102733502968,5.560314134701132,0.7782703357764961,25.562891669531307,2.3965902317743617,5.573659191558192,0.0889492765053095,-5.47934082966703,-0.745881013762855,-0.4404147294387017,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0740,10.794417159307724,11.646987683477228,12.458538021605836,13.227733781833452,13.953363896712228,14.63479375289043,15.272124441141418,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_74,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0966924012461638,0.6232532776642731,2.027113919355795,4.417654880373309,6.825210128116658,8.42762695274249,9.26743674035797,9.65904955476658,9.80576895676191,3.544576970025137,0.4508916649914739,0.0047061602212079,15.508224276538666,6.205136769715881,8.993774622343597,1.3619966423516636,6.499930908768493,14.276558258078277,0.675546762322467,5.463148809126078,0.7474143058773584,24.225757704548784,1.788931506003637,4.223532027259733,0.0401372597022165,-5.404652647637808,-0.7240158412820507,-1.4831032077025852,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0740,10.80046015561222,11.56738001424042,12.308845312736723,13.021629520728451,13.702735124660018,14.349865221069267,14.961591159459166,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_75,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0995324795696962,0.632366303392548,2.015272451222522,4.217846576097342,6.33919716522982,7.729574816758734,8.454977426381376,8.792760232087979,8.919250793516735,3.4298954269808,0.4584830619345832,0.0049814673427876,13.448695422425368,5.679108901920734,7.862364062877154,1.3872546243295514,5.495022862440555,12.030109836985858,0.5552596645386451,4.731603845087513,0.6958357738419909,20.88155284571076,1.3646333298419169,3.2416101842692564,0.0231288169793774,-4.523415190262299,-0.6125603119119057,-1.444624330786014,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0740,10.50942835967824,11.276965663216773,12.019345557297171,12.733754005853807,13.417430603879389,14.068166058110226,14.684508525315144,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_76,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.093114589536822,0.5844242648181014,1.747871807751644,3.505774692919359,5.225992368733442,6.377672045300567,6.98544127836367,7.269919876877682,7.3766786828255535,2.8770261066835587,0.4273819032724037,0.0044597975358167,10.53132049462889,3.767730670837948,6.5844213228379855,0.9243772318500918,4.058715402116444,8.726862295558146,0.6117430804232887,8.952660045502753,0.7041100781481511,26.41100781481511,-4.058715402116444,-8.726862295558146,-0.6117430804232887,-8.952660045502753,-0.7041100781481511,-22.528438619048,-1.0,-1.9960000000000004,0.0,-1.0,-0.4900000000000002,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0740,11.988283288596222,12.743903407069425,13.465575697406388,14.15120380846238,14.799406271363903,15.409514913865088,15.981542408818338,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_77,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0882648835018121,0.5981802372513181,2.0308668570904365,4.438963154811578,6.79271934625815,8.331545026407625,9.131130204571678,9.502557734151926,9.641493693917903,3.569050393582458,0.4280962413188106,0.0039692257990371,15.36172921847028,6.262298068050639,8.824089037365002,1.3207251257541504,7.093823066775178,15.604810076752948,0.7294053638455085,5.563687322809503,0.7784919799473821,25.57728544462824,2.398315926751723,5.577566195736353,0.0889700422355739,-5.48286549921505,-0.746163250509601,-0.4442365377413996,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0740,10.79898620344773,11.653833722356495,12.46685726627888,13.236943585263669,13.963045718027113,14.644650826835845,15.281949893275549,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_78,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0966910844096486,0.6231418755649306,2.02587119285341,4.4143976438893375,6.820779209784149,8.42284256818927,9.26258095327144,9.654184506126953,9.80090417886232,3.541964848667893,0.4508427205096961,0.0047060687353922,15.49059202618104,6.193131935126857,8.987701457002988,1.3602082513937743,6.4916330044072685,14.258204793525849,0.6743443270926566,5.451127917655536,0.7467788600130384,24.186002318145945,1.790248834765764,4.226160095671774,0.0406845288510085,-5.392077921834652,-0.7231588616846851,-1.455639590624397,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0740,10.761288082300858,11.531486025664776,12.275752386067088,12.9909814708555,13.674257081103024,14.323337286618209,14.936831290078407,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_79,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0995419335669023,0.6323545117867563,2.0153920117645345,4.219211250386572,6.34313238975284,7.735801751853748,8.46255497369887,8.800998641688004,8.927741593633169,3.430642710915015,0.4584793996615011,0.0049826353200236,13.467811969530532,5.6817675541104045,7.8758300485430945,1.3876118554196328,5.492829073756543,12.02526390431461,0.5551282133594251,4.731870198318818,0.6956156903023148,20.877463476979667,1.3617899003540532,3.235337379146328,0.0228700735642556,-4.52423152383055,-0.6125602205070075,-1.4510554872684474,23.0,51.37329999999999,2.0,1.0,0.3999999999999999,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0740,10.508528149407487,11.275077535404906,12.016731307653362,12.73061991948487,13.413938397455915,14.064441530412353,14.680648631749293,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_80,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0621830806397153,0.373438595287874,1.3790875526827395,3.342988204168944,5.422061984158956,6.83075598079794,7.573969481686117,7.921446977352192,8.051764028377931,2.6080490275271067,0.2682234597570431,0.0038600684740794,9.99219195746732,3.3283864871692423,6.0450606159411375,0.5766040437294058,8.199957180497224,17.905717850761615,0.8911783609795713,9.07463716263068,1.1949894921668405,31.06577611107529,-0.1055788319402536,0.2627030346362211,-0.1553257838380283,-9.07463716263068,-1.1949894921668405,-5.561868957540689,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0740,15.022095182652292,15.828193109957583,16.54584361712743,17.186856006407343,17.761127261369403,18.276996469718924,18.74153821950194,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_81,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637680010419951,0.3595745843353428,1.2993798889187371,3.2729236602468257,5.49376367688236,7.042201699509205,7.868869824361163,8.257258338894788,8.403202984919899,2.515639542034191,0.2617761291242894,0.0041371780141902,9.92734264192017,2.970118891295671,6.103290906927832,0.4327012106309592,7.547262093546277,16.48175413886567,0.7869109192603989,7.732123611824573,1.1140898884966837,28.031516493217737,0.3603478116129982,1.2674513921665185,-0.0680372915186463,-7.732123611824573,-1.1140898884966837,-1.8916708840488408,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0740,15.329517807405034,16.052961984755655,16.70728793272954,17.299602725212477,17.83636550257359,18.32334779625954,18.76567754310604,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_82,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0622046912687388,0.3732497020230046,1.3778684709274116,3.3413087358153963,5.42065287345043,6.82962637392096,7.572987382012496,7.920531612460021,8.050873198914635,2.6063993161445924,0.2681509308118476,0.003862910124,9.988343658652193,3.323882884025188,6.041605438097284,0.575070967058936,8.19241448435889,17.88885299123599,0.890338203936804,9.069804085082788,1.1943628276982994,31.04304107880596,-0.1102407974793728,0.2521736434150443,-0.1555951414932114,-9.069804085082788,-1.1943628276982994,-5.564626011244586,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0740,14.996854051899769,15.807403260187094,16.528432074813594,17.172055171049013,17.748379639711864,18.26589056270056,18.73176526843843,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0740_83,RSM0740.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0638689724184018,0.3597556847165436,1.3000607475925758,3.275443826160501,5.497682810228716,7.046711093094757,7.873596637482787,8.26206747160679,8.408040026742125,2.517500014206605,0.2619557627379473,0.0041503213515923,9.94159898808786,2.975268074856866,6.11087408092423,0.4336681504333751,7.542284545257339,16.470262193992074,0.7866210740483374,7.737334578772085,1.1139916610394265,28.02649325043124,0.349139472106365,1.242612934727477,-0.069218890651637,-7.737334578772085,-1.1139916610394265,-1.9279055140678631,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0740,15.286617204252542,16.013367432001633,16.670674780471415,17.26567678516491,17.80486534493774,18.29404305739253,18.73836556351715,"[O-]C(=O)c1cnccn1.[Zn],pcu.cat0","linker [O-]C(=O)c1cnccn1, nodes [Zn], topology pcu"
RSM0129_0,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0066020539664874,0.2093384950131965,1.0232035999998217,2.4982011122541423,4.08819630179061,5.189883889502359,5.777707147047073,6.053903926447376,6.157699152810039,1.946602245343095,0.1234550273091678,1.2585996458017334e-05,4.934140309685132,1.7939694473212402,3.236547820764032,0.3667036117860041,22.056312731343017,49.501201437059926,2.0080446759061448,4.056312731343013,1.78002460187638,56.28156365671508,-22.056312731343017,-49.501201437059926,-2.0080446759061448,3.879329861407829,1.78002460187638,-56.28156365671508,-22.0,-49.3806,-2.0,4.0,1.79,-56.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM0129,19.22908767587433,19.71781491558435,20.108048793167107,20.4238195434024,20.68245539902261,20.89664370927636,21.07581062745942,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_1,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.006601896091133,0.2093386232357672,1.0232139564288132,2.4982392518242755,4.088257474154446,5.189955974719284,5.777783642385288,6.053982193918159,6.157778039573276,1.9466302903771848,0.1234547881531204,1.2584408226279712e-05,4.934325352329229,1.7940172648135206,3.236678792434928,0.366708234192629,22.05633276805976,49.501244348436735,2.008047538294252,4.056332768059762,1.780021052515128,56.281663840298805,-22.05633276805976,-49.501244348436735,-2.008047538294252,3.879286925586224,1.780021052515128,-56.281663840298805,-22.0,-49.3806,-2.0,4.0,1.79,-56.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM0129,19.22934515345446,19.71803109615249,20.108232656249324,20.42397769792417,20.68259279930245,20.89676413285212,21.0759169995811,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_2,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0589048018655407,0.5910968954841734,1.887343994124184,3.635657222362288,5.172361576875909,6.137113202452721,6.630833482040472,6.858809964326122,6.94388756678725,3.0352127864425027,0.4095426293834031,0.0011057433653241,8.358113265708878,4.753984490945372,4.596975616961935,1.1538575304198817,7.96003039565509,16.967419748729505,1.0760624331042177,1.9888116303548264,0.965403536003893,41.52421833901977,-7.96003039565509,-16.967419748729505,-1.0760624331042177,-0.5685298604888281,0.965403536003893,-41.52421833901977,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0129,11.104165040865784,12.06129980445366,12.951060908050128,13.773854988733197,14.531352424514756,15.226260502045257,15.862042106829527,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_3,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0589259358780094,0.5911383595819651,1.8872767029830613,3.63543281877655,5.17200153717805,6.136650456768389,6.630310865741018,6.85825791897829,6.943324245958262,3.0350389534315205,0.409588017691351,0.0011067686173017,8.358031206705142,4.753525307404202,4.597552615313151,1.153776722805078,7.959990362573379,16.967353201952484,1.0760753264801168,1.988979244241521,0.9654455258050656,41.52532104074129,-7.959990362573379,-16.967353201952484,-1.0760753264801168,-0.5685929744143154,0.9654455258050656,-41.52532104074129,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0129,11.107469067310555,12.065979754758049,12.956513081231204,13.77967741337948,14.537282742972344,15.232131537517656,15.867750817625785,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_4,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0589056939803777,0.5910846839750894,1.887308073787168,3.635618774545377,5.172330547494029,6.137087227949385,6.630809857149316,6.858787347760331,6.943865312981021,3.0351729411617647,0.4095354101704795,0.0011058656213191,8.35791601358751,4.753846286167763,4.596921501763628,1.1538395803943204,7.959953047140017,16.967255809469396,1.0760530449808436,1.9886895847509685,0.965420353361774,41.52394791295897,-7.959953047140017,-16.967255809469396,-1.0760530449808436,-0.568377406986768,0.965420353361774,-41.52394791295897,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0129,11.104399710038075,12.06147909023212,12.9511989247336,13.77396214823488,14.53143638184271,15.226326889498292,15.862095083283036,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_5,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0589168059936122,0.5911241223539399,1.887299274790404,3.635487327812904,5.172060825039146,6.136704629066152,6.630360580033893,6.858305215155775,6.943370585660342,3.035086034989829,0.4095711234975924,0.0011062808443634,8.358178894425068,4.753640221126149,4.597628655136909,1.1538000771025676,7.960171681201825,16.967738585587973,1.076098382346546,1.9892789705050984,0.965408068764962,41.52602835824911,-7.960171681201825,-16.967738585587973,-1.076098382346546,-0.5689587399741922,0.965408068764962,-41.52602835824911,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0129,11.107474320575268,12.065987386225592,12.95652219132376,13.779687419774776,14.53729325732296,15.23214229308715,15.867761626650104,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_6,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2061098677931306,0.5166029659420921,1.0315989421587062,2.0008512409496246,3.1220991804366616,3.922779094171107,4.3552661451677785,4.559509182971101,4.636419993399347,1.6271459181129957,0.4406855379966826,0.0433721356348807,4.765668135652599,0.995976353816518,3.029948416093613,0.0392261644735635,3.8986864821387126,8.42726627619963,0.628985061784288,8.762820746262125,0.5294177706076294,24.60903675211679,3.8986864821387126,8.42726627619963,0.628985061784288,8.762820746262125,0.528123797412159,24.60903675211679,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0129,8.596614011768674,9.19713195105263,9.761362477051613,10.289908167732095,10.782611151626025,11.239586054750268,11.6615468937255,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_7,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2038777346309401,0.6413415900652444,1.443624697059854,2.571680142404685,3.6644973305558928,4.391367381863195,4.773075857617019,4.951269475962188,5.018062710613407,2.170484191870265,0.5179856752610423,0.0392631510171252,5.969264416603104,2.053067206862275,3.937837325520473,0.6840785282893403,6.336833047658515,13.58731711372048,0.920978722930956,13.625918644581104,1.0808994669176912,32.813874436821244,6.336833047658515,13.58731711372048,0.920978722930956,13.625918644581104,1.0808010366845349,32.813874436821244,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0129,3.765288930713573,4.453754080325937,5.128188417363383,5.781907046648477,6.410782545826057,7.012318050239252,7.585155618799977,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_8,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408511022989639,0.4914020284476005,1.3637486570985626,2.883663663150536,4.376766591281534,5.3474303175701134,5.849482962875215,6.082134768730488,6.169067492198201,2.3315910863171023,0.3875300721744655,0.0201542315890258,7.878510940700126,2.053557555902508,5.360886778400171,0.509780736568715,5.238161778271347,11.295737165274652,0.8217953953378296,11.62524111799553,0.7610674129192426,31.41077245064113,5.238161778271347,11.295737165274652,0.8217953953378296,11.62524111799553,0.7602536334202573,31.41077245064113,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0129,3.3775622604024056,4.042799707803879,4.724702709072232,5.407801144734322,6.080156565261916,6.733244446850186,7.361514563714201,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_9,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2060904542425843,0.5166034401244832,1.0319882483348075,2.0020184729757564,3.123816534493694,3.924769655971784,4.357381767574604,4.561680097359442,4.638611210947056,1.6280546565930365,0.440669659281221,0.0433641963201615,4.773503698021896,0.997662086129832,3.034768303909791,0.0392117736178498,3.887100876895376,8.402576088383945,0.6276385106774838,8.743410366007746,0.5272560704181983,24.571015189836054,3.887100876895376,8.402576088383945,0.6276385106774838,8.743410366007746,0.5260256321675201,24.571015189836054,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0129,8.572362404044725,9.175712516996358,9.742223170267554,10.272639125077744,10.766908167272492,11.225220167601345,11.648341883734844,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_10,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2038862176504963,0.6415089741554637,1.4441316180474062,2.57305994202938,3.666759095215456,4.394097828822464,4.776005954397647,4.95428160504175,5.021103761229144,2.17152215124973,0.5181069917592278,0.0392574816897882,5.972474077233562,2.055377917697628,3.9392700408295473,0.6849815394341213,6.336521614439643,13.586654452414164,0.9209386234475,13.625088499653998,1.0808055124088802,32.81269885751393,6.336521614439643,13.586654452414164,0.9209386234475,13.625088499653998,1.0807068347809232,32.81269885751393,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0129,3.753004291918532,4.44365425508446,5.119849926369881,5.774986651057836,6.405007250565764,7.007473412578598,7.58107469568367,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_11,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408583193698602,0.4911416290094916,1.3623153964990042,2.8808573288683608,4.37283790502994,5.342775488338553,5.844445720377383,6.076918274927757,6.16378366462921,2.329230492032696,0.3873988799956977,0.0201572889866795,7.87134441953994,2.047767465588404,5.356380981285551,0.5066286526480985,5.230342406917389,11.278645635577044,0.8205868273055991,11.611120322395466,0.7603916269338482,31.363258883018624,5.230342406917389,11.278645635577044,0.8205868273055991,11.611120322395466,0.7596584974820009,31.363258883018624,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0129,3.380153713061464,4.045443531256457,4.727354473577794,5.410433894635515,6.082752540770913,6.735791079439847,7.364002570593595,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_12,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2061098365376936,0.5166004666910455,1.031574304276645,2.000790383313327,3.1220185931964988,3.922691845956752,4.355176819376111,4.559419153487277,4.636329739193373,1.6270962209706137,0.4406843545611457,0.0433721356135731,4.7653483306608,0.9958836549490602,3.0297846454182533,0.0392235357041944,3.89901594361384,8.42797399579665,0.6290319696909439,8.763497017681486,0.5294718719353396,24.610690503924506,3.89901594361384,8.42797399579665,0.6290319696909439,8.763497017681486,0.528177164595322,24.610690503924506,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0129,8.597301582887276,9.19771039324884,9.761851292581516,10.29032359560115,10.78296642190736,11.239891837929266,11.661811765459978,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_13,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2038808660366,0.6413631712737518,1.4436524483142872,2.5716976308240533,3.6645056564770937,4.391370631123918,4.773076680495304,4.951269212212395,5.018062046411685,2.170505536056733,0.518002804072298,0.039263191634389,5.969185463333559,2.053118898097729,3.937767054653304,0.6841146443025344,6.336896435374469,13.587451120396205,0.9209859958759192,13.626125283513195,1.0809271699989456,32.81403470401776,6.336896435374469,13.587451120396205,0.9209859958759192,13.626125283513195,1.0808288461003597,32.81403470401776,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0129,3.765299520727867,4.453774644151596,5.128216406125079,5.781940206152695,6.410818772500141,7.012355209398208,7.585191363026057,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_14,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408225117603814,0.4913682496596542,1.363727580862209,2.8836422007077176,4.37674259276413,5.3474059631392565,5.849458847661648,6.082110855238307,6.169043668179514,2.331570726914902,0.3874944603760997,0.020146026581279,7.878380034127535,2.053500661878623,5.36086001122375,0.5097819509639481,5.23835349049641,11.2961526529989,0.8218218714806049,11.62552554746642,0.7610842753121596,31.41172944312268,5.23835349049641,11.2961526529989,0.8218218714806049,11.62552554746642,0.7602685519777059,31.41172944312268,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0129,3.377448481741016,4.042662547756323,4.724548025565549,5.407634224717831,6.0799818900727445,6.73306565695096,7.36133452354054,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_15,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2061447824919017,0.5166707605434402,1.032061038808697,2.0021009927344067,3.1239153185653064,3.924881771451748,4.3575014032363,4.56180333719051,4.638735815167327,1.6281328381352769,0.4407355515183693,0.043386809163246,4.773693694790314,0.9977472448036054,3.0348331391021026,0.0392181208331685,3.887189077933221,8.402764646718413,0.6276469157211463,8.743430833474584,0.5272584320074667,24.57122529961069,3.887189077933221,8.402764646718413,0.6276469157211463,8.743430833474584,0.526026583707192,24.57122529961069,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0129,8.572583020415207,9.175895793455702,9.74237566527282,10.272766356345825,10.767014700291162,11.2253097409169,11.648417539607811,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_16,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2038945945874209,0.6415063847501604,1.4441155022369536,2.5730519309624333,3.6667664638844073,4.394115053034985,4.7760279324802735,4.954305688456725,5.021128614552911,2.171509421281213,0.5181083719761858,0.0392612395446148,5.972397234437483,2.05537642936854,3.939206440668017,0.6849794143510874,6.336742068605438,13.587122878341034,0.9209664762874492,13.625575388468558,1.0808581230293213,32.813529931007935,6.336742068605438,13.587122878341034,0.9209664762874492,13.625575388468558,1.0807594999162755,32.813529931007935,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0129,3.753248082150212,4.4439259614644975,5.1201391100290135,5.775284401670704,6.405304985816183,7.007761652072979,7.581341956225702,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_17,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408210433860561,0.4910849805873835,1.36226425465724,2.880839387990335,4.372855058127644,5.342814108869014,5.84449485724588,6.076972140484059,6.163839273234625,2.329199583388332,0.3873446335300598,0.0201467157114027,7.871344607419924,2.04773290736807,5.356381976324837,0.5065933400740131,5.230269458518965,11.278485426350194,0.8205721415420605,11.61088888531624,0.7603803384251822,31.3626123505641,5.230269458518965,11.278485426350194,0.8205721415420605,11.61088888531624,0.7596470194464036,31.3626123505641,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0129,3.3805766559556627,4.045916284306059,4.727862896572951,5.410965378073311,6.083296476972759,6.736338908203183,7.36454760897975,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_18,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1218504142787696,0.7918006152237557,2.147321278421174,3.811286202477974,5.192525722656487,6.036925199066235,6.46419916997244,6.660556542162346,6.733693617151359,3.254113388780864,0.583377769802764,0.0050400691996838,9.900440536563544,4.954110973314593,6.055910053195006,1.6732035118043247,1.548747176571894,3.283362279103086,0.1887647525309446,3.058865196819452,0.3352585825789714,11.519030933478362,-0.338900348737553,-0.8705042580116681,-0.1887647525309446,-1.8490183689851103,0.2031232558073102,-11.519030933478362,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0129,7.561113756759386,8.370591381252606,9.154729336191323,9.91453606113499,10.649723411835629,11.359117760317089,12.041181201273409,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
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RSM0129_22,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0783699555811758,0.5995250995791607,2.0069902793994165,4.0358448398293785,5.724524222864303,6.723610131490357,7.217936815060545,7.442577347571239,7.52584574545163,3.345673335860511,0.42358235819063,0.0028376082599016,12.10255734126212,5.132674216565464,7.3759841515187805,1.4287043752188875,1.9576006332983524,4.152624467263342,0.2428485259768805,2.1265069623908137,0.2195556127774301,10.875474693743884,0.6377915477311613,1.2483159444002894,-0.0211132911365576,-1.3049966600838834,0.0473442922452105,-4.001682413693875,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0129,7.729287284471282,8.602262167107599,9.45444706148089,10.280710203088644,11.07658738553171,11.838512088475673,12.563931248645966,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_23,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163620515517396,0.8906826874545932,2.059737215639924,3.676743706110885,5.17660372062679,6.136751826810294,6.630654365225364,6.859023474345348,6.944280406112088,3.107984644884552,0.7031727308929308,0.0232288033581593,9.77649786438442,4.673466241386026,6.065511065679514,1.5391204373549658,1.9521428431449304,4.266785333642667,0.3622945019122746,4.850498858443127,0.1894013741139791,17.006604253970146,-1.670802175977815,-3.70569357407793,-0.3622945019122746,-4.569158191276012,-0.0642047772246128,-17.006604253970146,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0129,9.255375321499043,10.065600544761812,10.843060104012872,11.585554492538844,12.291680947861035,12.96072577951218,13.592579109675285,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_24,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1218403337552569,0.7917723261870738,2.1472863282964703,3.811261483321292,5.192510999154568,6.036915510623315,6.464191674816123,6.660549979108972,6.733687389556117,3.254084478434564,0.583353123322086,0.0050391578111026,9.900407133630464,4.954008144513952,6.055897084884752,1.6731318077411266,1.5487949830685417,3.283485156061157,0.1887914584518207,3.059126650683107,0.3352297828683369,11.51980408437912,-0.3391196014496662,-0.8709690587295537,-0.1887914584518207,-1.8494512690642324,0.2030757619520625,-11.51980408437912,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0129,7.561027191162515,8.370519222307376,9.154670031468788,9.91448807833977,10.649685284587896,11.359088124230516,12.04115881578262,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
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RSM0129_27,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1218056522346851,0.7916916519687008,2.147234456628728,3.8111277829673753,5.192088646110022,6.036229658172907,6.463353568254806,6.659638437356399,6.732747995661289,3.254008339536755,0.5832765175726509,0.0050361568473968,9.899442487140089,4.9537627777349975,6.055100734487666,1.67306850567144,1.5502370937838723,3.286779098562008,0.1891967590752189,3.063811166385624,0.3351115834677877,11.535120650423742,-0.3417304969683173,-0.8765939672029053,-0.1891967590752189,-1.8553045695700687,0.2026738521151344,-11.535120650423742,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0129,7.563581761955685,8.37354297891993,9.15789857641676,9.917765436250566,10.652919528708107,11.36222591699471,12.044170480583698,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_28,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0783604325259305,0.5995070446457302,2.006963299763539,4.035811798255846,5.724491586405592,6.72357915858254,7.217906934403874,7.442548010789637,7.525816617068143,3.3456413731134336,0.4235654907775929,0.0028367032341226,12.102433105352675,5.132587667573383,7.37588248482775,1.428647978265174,1.957573601368433,4.15254708773445,0.2428256303826477,2.126425142968654,0.2196007145423694,10.87515442389058,0.6379132359550564,1.2485658313033128,-0.0211064427000276,-1.304691807106125,0.0474055813976899,-4.001859605729355,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0129,7.729309906150303,8.602284867585318,9.454473451534229,10.280742498090214,11.076626674661036,11.838558627209126,12.56398472411268,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_29,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2163212595633065,0.8906317285669316,2.0597231852404514,3.676745609271965,5.176599367710755,6.136740390583262,6.630639035910133,6.859006335743973,6.944262593246474,3.1079851586166685,0.7031185933434614,0.0232179280174242,9.776569501475011,4.673416894608535,6.065562871858324,1.539093533454992,1.9523596879624188,4.267255016635381,0.3623306010102044,4.851004496044054,0.1894301842491429,17.008410460016183,-1.670946322139625,-3.706018270506693,-0.3623306010102044,-4.56959113022126,-0.0642012364579998,-17.008410460016183,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0129,9.255326533947995,10.06558545157627,10.843077860343596,11.58560286263867,12.291756826344972,12.960825620454283,13.592699248057336,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_30,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2183553362573737,0.6490477137780863,1.4649799915026258,2.8134444725069203,4.225794991970064,5.192037459789603,5.705001504552449,5.945534112768907,6.035853767744101,2.315310371939094,0.5317434317448878,0.0435382601882986,5.998938170433243,2.708084240861344,3.408550987608553,0.6515429405731424,6.058505433663331,13.062982127601863,0.8128795335021493,9.193900380595844,0.9949150380692424,28.85810876864487,-2.2712005133920568,-4.7666171467211385,-0.3677590818489031,-9.193900380595844,-0.9949150380692424,-12.46424276864196,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0129,15.878182100416998,16.642869109326377,17.323473695330133,17.92881237755388,18.466899037981367,18.94515722457033,19.370432260174137,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
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RSM0129_32,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0239404761545576,0.2475562871281592,0.9908039951743722,2.4628602105958124,4.064481100315774,5.158758870258531,5.736902559053661,6.007220312581887,6.1085915794122885,1.9052842412138016,0.167229989139731,0.0005182830232805,6.478944038061028,1.6414854921624875,4.210325821773824,0.2947708864781675,6.962742347857306,15.243054283291729,0.7780368224813148,5.864276188894484,0.9533603667268552,26.858912433810048,1.9777658358471863,4.632523355504228,0.1294077877870633,-5.864276188894484,-0.9533603667268552,4.156896219511249,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0129,13.902329485205438,14.76028202501776,15.530665511618183,16.22577687570842,16.854876882192325,17.425270470570606,17.943012626329217,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_33,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2410676221893314,0.7466661192346923,1.548291798023364,2.6333825513902425,3.6438294978241097,4.304816440188629,4.650331730724363,4.811429509671937,4.871792868271916,2.253428471362229,0.614935557126225,0.0413773146087878,6.159953396727074,2.1621042575892457,4.054862490815737,0.5845065568434088,4.936938927865224,10.52300005357354,0.6566530904506556,10.190163651470469,0.9657132783050456,24.684694639326125,-4.936938927865224,-10.52300005357354,-0.6566530904506556,-10.190163651470469,-0.9657132783050456,-21.28102169221976,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0129,15.03270210063542,15.826979802773842,16.523019259441266,17.13730272148008,17.682693002434164,18.169350853431144,18.605430913770725,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_34,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2183497147300049,0.6493114169290137,1.466112727905115,2.8152988376159733,4.227958778914222,5.194298110585288,5.707288867433734,5.947829091217415,6.0381508556172925,2.316972947680855,0.5318918754754898,0.0435305790916005,6.003865033848832,2.712049362778484,3.411598131868307,0.6529106750348571,6.06133840680693,13.069141253091152,0.8133274163416513,9.1977452230399,0.9952757532676596,28.87238069589848,-2.2713172066722325,-4.7668983497259285,-0.3678520873245703,-9.1977452230399,-0.9952757532676596,-12.46890193241928,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0129,15.604957155140028,16.405487523453445,17.115652454039,17.745581244244747,18.30429846332634,18.800006027285328,19.240152036277184,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_35,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.026813452660893,0.3292608691788024,1.3234771584078877,2.9534127186056183,4.473689236798822,5.440850805005565,5.937305879682556,6.166732729386843,6.252373324893409,2.374576205933024,0.2173265920429627,0.0004418413727136,7.134794881990057,2.5664962326996,4.435243424011043,0.542201172153785,8.546452943723027,18.76018964191417,0.9884866143972094,7.346657595525328,1.0883138393768077,32.71121513994008,2.5918688996700867,6.008379436469595,0.1385574020834662,-7.346657595525328,-1.0883138393768077,2.9636927089590683,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0129,13.859563963267576,14.81464417103078,15.664240297026025,16.421761150442293,17.098341010783898,17.703467187566584,18.24538321843769,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_36,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0239550520585882,0.2475681516522739,0.9903743965386156,2.461233676823373,4.061725639039008,5.155346275021622,5.7331745506673135,6.003351644042825,6.104671230014755,1.9041012962176072,0.1672547282894277,0.0005190682527335,6.472959714301923,1.6389304335361452,4.207458254035933,0.2946199309021448,6.962510896395002,15.242577863565815,0.77799628071585,5.86456376163996,0.9533009583820904,26.85688316199204,1.9772283878644747,4.63138947360802,0.1293214676006163,-5.86456376163996,-0.9533009583820904,4.153264702958855,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0129,13.931416164530969,14.785988577930455,15.553496255125856,16.24615445577198,16.87315269346886,17.4417364002138,17.95791177270516,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_37,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2410363045399305,0.7466083144352477,1.548184160528576,2.632880178554672,3.642794677701109,4.303433034063376,4.648774167682917,4.80979312200676,4.870127356770538,2.253100591812082,0.6148806954967004,0.0413698134881248,6.159008875657063,2.161264976260404,4.054419361733458,0.5841112682806628,4.925452421808831,10.498586587998496,0.6551930151638268,10.166996543119447,0.9633394242727544,24.62726210904416,-4.925452421808831,-10.498586587998496,-0.6551930151638268,-10.166996543119447,-0.9633394242727544,-21.236248952423725,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0129,14.758016816695491,15.587059623836398,16.312109136480085,16.95071756499701,17.516628094077223,18.020709846920354,18.471682479304576,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_38,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2183566738427358,0.6490523704113216,1.4649578250955708,2.8133706045917264,4.225692420217738,5.1919258491486255,5.70488757925578,5.945419594071134,6.03573910064248,2.3152526885930027,0.5317482090259028,0.0435382954275047,5.998561494364856,2.707952038755846,3.4083790862440275,0.6515505549191299,6.058826085123337,13.06368633335191,0.8129175824260021,9.194141388000336,0.9949548221496742,28.85936583612497,-2.271062641174924,-4.766305943607645,-0.3677486532716337,-9.194141388000336,-0.9949548221496742,-12.463952413292276,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0129,15.882785320026525,16.646853156846216,17.326950729940133,17.93187003785621,18.469606488343324,18.947569620866293,19.37259403627965,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_39,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0267922898532801,0.3290695451472781,1.323074492496513,2.9526542002744978,4.472445661863101,5.439231844774376,5.935476135935811,6.164801638816048,6.250403779878595,2.373964135543249,0.2171834905932821,0.0004416609864283,7.133020793231071,2.5654377174797496,4.433981910610704,0.5416303795619255,8.544559895006683,18.75588876228056,0.9883472060448906,7.348773643288503,1.088205125028002,32.70718949352872,2.587524037794888,5.998819899963705,0.1380602054469303,-7.348773643288503,-1.088205125028002,2.947144472600119,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0129,13.782584672819082,14.74598083988584,15.603277792417307,16.36770066254787,17.050355824022713,17.660777876755862,18.20728890394863,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_40,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.023941328316195,0.2475668892037063,0.9908200963655424,2.462867593153048,4.06448073589112,5.158754922230181,5.7368971602323695,6.007214325340314,6.108585385219065,1.9052950637549424,0.1672377079577978,0.0005182866829167,6.478813818155313,1.641517736977111,4.210230164146212,0.2947990431088091,6.962914038953737,15.243449792625665,0.7780514641919845,5.864220008092028,0.9533624296023356,26.859162606248315,1.9780494211279152,4.633152899509136,0.1294329808061787,-5.864220008092028,-0.9533624296023356,4.1575156877451205,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0129,13.90132174586322,14.759384753172764,15.529866466276903,16.225063971939793,16.8542390316589,17.424697862394847,17.942496744336534,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_41,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2410662685785691,0.7466605345833706,1.5482823452843948,2.633368725748097,3.643809754323841,4.304793021021821,4.650306612637323,4.811403662834951,4.871766759320721,2.253416546694054,0.6149311541855148,0.0413771918367384,6.15987072796608,2.162068099450711,4.054801308800535,0.584482078787927,4.936980422021727,10.523096266169054,0.6566661443730115,10.190309577005822,0.965707267100272,24.68490211010864,-4.936980422021727,-10.523096266169054,-0.6566661443730115,-10.190309577005822,-0.965707267100272,-21.28172799600217,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0129,15.031261722520902,15.825686267587688,16.521853517307704,17.13624830779822,17.681735813487247,18.16847883148695,18.604633730352848,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_42,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2184024817084089,0.6493612861490718,1.4661209231722554,2.8152613985748385,4.227898362973559,5.194229692645562,5.707217858753355,5.947757185582985,6.038078660657171,2.316948713861262,0.5319462911421077,0.0435531565433661,6.003690054355392,2.7119872687245925,3.411501873366369,0.6528741315149784,6.061830052762328,13.07023223982055,0.8133838483761879,9.19819810509212,0.9953241969656856,28.87400818295829,-2.2711668437073578,-4.7665455755009,-0.3678514983683948,-9.19819810509212,-0.9953241969656856,-12.4692289531021,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0129,15.604625965433495,16.405197786206944,17.115396904840654,17.745354257201093,18.30409560249349,18.79982373873049,19.23998743302716,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_43,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0268114426775064,0.329262495896414,1.323490820641977,2.953439807005152,4.473733485446431,5.44090827512887,5.937370672027534,6.166801008070566,6.252442920121883,2.374598102440345,0.2173260498475416,0.0004417276351663,7.134835496259736,2.566561467836072,4.435241153592142,0.5422333587477313,8.546436540319336,18.76016836582189,0.988479115036572,7.346502240745944,1.0882970236710754,32.71078780810564,2.592019552755697,6.008713536208589,0.1385714415263606,-7.346502240745944,-1.0882970236710754,2.964019235248246,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0129,13.858646664964276,14.813824730092998,15.663507636725754,16.42110474054053,17.097751301087136,17.702935739741317,18.24490268516869,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_44,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0239472540789226,0.2475395146047811,0.9903394662312694,2.461196806054622,4.061679192131845,5.155290766915086,5.733113730349625,6.003288241035395,6.104606843812351,1.904066106431904,0.1672301920740057,0.0005187045163622,6.4729201312028914,1.6389061493944497,4.207413149132628,0.2945833926125781,6.962376030266992,15.242267460572355,0.7779810532163058,5.86484460333677,0.9533014823253972,26.856497795286884,1.976749990108645,4.630352869753213,0.129266397073935,-5.86484460333677,-0.9533014823253972,4.151484830303899,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0129,13.93220460046735,14.786680165753085,15.554106482101052,16.24669610254959,16.873636221757273,17.442170367331645,17.958303201210544,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0129_45,RSM0129.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2410360572836761,0.7465916286984958,1.5481559647806329,2.6328566736017662,3.6427866183990414,4.303439446852714,4.648789299365898,4.8098125635295945,4.8701484513443045,2.2530737796920968,0.6148678793707996,0.0413726659646388,6.158944381457148,2.161243387829893,4.0544023419407935,0.5841314819605473,4.926048322161164,10.499870126216498,0.6552852590318058,10.16833039441561,0.963431642677082,24.63024161080581,-4.926048322161164,-10.499870126216498,-0.6552852590318058,-10.16833039441561,-0.963431642677082,-21.239726521420582,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0129,14.756795259763322,15.586030645058807,16.311235543556773,16.94997004613374,17.51598344753407,18.02014953446188,18.471191490502257,Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O].[Zn].cat0,"linker Oc1cc(c(cc1P(=O)(O)[O])O)P(=O)(O)[O], nodes [Zn], topology "
RSM0500_0,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,31.0,69.723,4.0,13.0,1.81,122.0,0.0087302878877581,0.285541744645137,1.473444946411144,3.4512934752629523,5.3150924714422585,6.512402159688044,7.130192222670336,7.416369467000402,7.523299391493258,2.747337088638593,0.1658335318841689,2.038334989613101e-05,8.8474553802457,3.9506112301179006,4.663506378773799,0.6421606568567508,23.00006041871536,53.723720496064985,2.0,2.999939581284637,1.629973113671663,55.99969790642318,-23.00006041871536,-53.723720496064985,-2.0,2.999939581284637,1.629973113671663,-55.99969790642318,-23.0,-53.7236,-2.0,3.0,1.63,-46.0,-25.0,-57.7123,-2.0,1.0,0.7399999999999998,-56.0,RSM0500,20.134391131707087,20.523141940683427,20.83846014693704,21.0972232766735,21.311811928083696,21.491465506160885,21.64318059367768,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_1,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,31.0,69.723,4.0,13.0,1.81,122.0,0.0084674401474155,0.2813374422704757,1.4636710803517956,3.433464150319691,5.281187082951639,6.464379318230747,7.074002888856868,7.356227061480446,7.461654646440718,2.7333335206014207,0.162961484073621,1.9246397326871903e-05,8.747178869292997,3.906696882313736,4.605981127424867,0.63472976359264,23.00000039874064,53.7236007952284,2.0,2.9999996012593524,1.629999822560412,55.99999800629676,-23.00000039874064,-53.7236007952284,-2.0,2.9999996012593524,1.629999822560412,-55.99999800629676,-23.0,-53.7236,-2.0,3.0,1.63,-46.0,-25.0,-57.7123,-2.0,1.0,0.7399999999999998,-56.0,RSM0500,20.275850621602928,20.646927275343742,20.947595204829657,21.19415491207492,21.39851712097028,21.56954574858483,21.713939264604104,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_2,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,31.0,69.723,4.0,13.0,1.81,122.0,0.0085502380555538,0.2820282923397617,1.463364232499115,3.4307413250872214,5.277558970511237,6.460700078778691,7.070403120251426,7.35268237555658,7.458133092528958,2.73130727030014,0.1635173136741836,1.9875057050711782e-05,8.721101011959266,3.9043847883299705,4.58965575536669,0.6340131018215366,23.0,53.72359999999999,2.0,3.0,1.6299999999999997,55.99999999999999,-23.0,-53.72359999999999,-2.0,3.0,1.6299999999999997,-55.99999999999999,-23.0,-53.7236,-2.0,3.0,1.63,-56.0,-23.0,-53.7236,-2.0,3.0,1.63,-56.0,RSM0500,18.800597604268745,19.16863661281479,19.46742829676348,19.71281429045049,19.91643826576372,20.08700390247493,20.23111102912124,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_3,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,31.0,69.723,4.0,13.0,1.81,122.0,0.0087019900241921,0.2838307710063392,1.4677309113366577,3.443047555210613,5.3060597220085,6.503334080977651,7.121220166842232,7.407465765336293,7.514424949554108,2.7397109397132886,0.1648123701525429,2.0531196694600746e-05,8.831490815413103,3.9252074826440992,4.665683744634202,0.638748245836768,23.00016789552727,53.72393484244481,2.0,2.9998321044727314,1.6299252864903655,55.999160522363645,-23.00016789552727,-53.72393484244481,-2.0,2.9998321044727314,1.6299252864903655,-55.999160522363645,-23.0,-53.7236,-2.0,3.0,1.63,-46.0,-25.0,-57.7123,-2.0,1.0,0.7399999999999998,-56.0,RSM0500,19.941558409179702,20.317086580512168,20.62223120275829,20.873075979213937,21.081425924277816,21.256104036285155,21.403804314624427,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_4,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405827501604648,0.4821504211163924,1.2443414361211396,2.463978229650611,3.6515271843139328,4.433006440563793,4.840905332538697,5.0308041156372765,5.101904562967089,2.0258199520110445,0.3831456801397057,0.020107369288625,6.894708346219932,1.4470336616963149,4.677273994826655,0.1213631599397521,4.075276960504346,8.785476754632338,0.6381588427372152,9.180547702402068,0.616950417292155,24.29473418908334,4.075276960504346,8.785476754632338,0.6381588427372152,9.180547702402068,0.616950417292155,24.29473418908334,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.333661523644014,3.982091308560475,4.655416571274427,5.3361991136382825,6.010593896028897,6.668487652835093,7.303121213313672,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_5,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408139264499922,0.4785395849092271,1.2259725680004556,2.4519000674955054,3.6826062840189593,4.51038439434496,4.947558259204263,5.15221235793114,5.229016260170569,2.0068680341558176,0.3814360008835788,0.0201868148961453,6.750935721216504,1.370233952009403,4.645978487500604,0.1090110422365668,3.122607681584201,6.816511319004905,0.5712250019276777,7.692407697005622,0.3185135396905737,24.37271172701644,3.122607681584201,6.816511319004905,0.5712250019276777,7.692407697005622,0.3185135396905737,24.37271172701644,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.333331560097765,3.990941659615121,4.672448664806094,5.360102262592945,6.039969047297258,6.701984806762386,7.339512519696179,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_6,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406733258026872,0.4812034455375201,1.234019417704331,2.421404675403765,3.566792317434998,4.318169915415257,4.710002846380696,4.8923701885490765,4.96064414222125,1.996698170023388,0.3827330254341249,0.0201365818155437,6.744930933683072,1.385305321415142,4.601829307513412,0.1099012152010763,3.9690684760313872,8.556665193923502,0.6216753268642451,8.942471090945348,0.6005942339635076,23.671930500340217,3.9690684760313872,8.556665193923502,0.6216753268642451,8.942471090945348,0.6005942339635076,23.671930500340217,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.354153029012968,4.003741577323574,4.677838706959689,5.359056016938422,6.033603970693672,6.6914240830519125,7.325807344399194,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_7,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410133224175171,0.4790928656860775,1.2207982371094237,2.4186398779911213,3.6206445416546087,4.432888881264611,4.863193031200045,5.064937073653175,5.140697872799677,1.98477836112812,0.3818883788514406,0.0202422115783461,6.656817316104165,1.326835771272586,4.589669259788147,0.100470003456511,3.2166846806508085,7.020323171927674,0.586927458581133,7.912104349299872,0.3309356980499854,25.001498697425266,3.2166846806508085,7.020323171927674,0.586927458581133,7.912104349299872,0.3309356980499854,25.001498697425266,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.358737123655475,4.015137695356381,4.695371274021463,5.381796684750215,6.060538868973993,6.7215579427776815,7.358220478816893,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_8,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410712576071924,0.4809418230933801,1.227832649439668,2.4370778813382907,3.6773733053045214,4.530262069931865,4.985998543783645,5.2004724564408376,5.2811375416087145,1.9965746882708968,0.3828883243050004,0.020253087380578,6.757223392218991,1.340273263896499,4.65099677541987,0.0991085000422627,3.2387903345588915,7.059440013488587,0.5821073605115973,7.895649218651672,0.3498103979194615,24.553563563017352,3.2387903345588915,7.059440013488587,0.5821073605115973,7.895649218651672,0.3498103979194615,24.553563563017352,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.4234259571430696,4.079279826786425,4.757544013486982,5.441112418540119,6.116511446149167,6.773980223702038,7.407067482316698,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_9,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409420807570958,0.4818644339190298,1.2303315570537023,2.384304331995382,3.4770564982280363,4.187908574032473,4.557366927734019,4.729087593984831,4.793341212937915,1.974785058320472,0.3832752722096938,0.0202117722566502,6.672474101655917,1.355274061854557,4.564613568729837,0.1047810494377022,3.279491964330745,7.100555261714182,0.5432541514157554,7.62552517565679,0.4407723902226404,21.63033077744915,3.279491964330745,7.100555261714182,0.5432541514157554,7.62552517565679,0.4407723902226404,21.63033077744915,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.369502972317853,4.019676721054212,4.694195681225879,5.37569014423282,6.050376548971515,6.70819241532571,7.342419829697426,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_10,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408879482962326,0.4804508803643619,1.2279305989626603,2.447911982084368,3.705297985495828,4.57091137079037,5.033528694736771,5.251244876755687,5.333129276178495,2.00240295274616,0.3825141735326177,0.0202015956726948,6.796948407012343,1.338477495242738,4.685967813615373,0.0989783735058505,3.287942625432249,7.163294940204863,0.5877601237369717,7.990023615328024,0.3610842363105288,24.70349553442677,3.287942625432249,7.163294940204863,0.5877601237369717,7.990023615328024,0.3610842363105288,24.70349553442677,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.435652101116625,4.089684112139056,4.766190556639927,5.448144727916631,6.1221195304054,6.778375537953114,7.410465392665215,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_11,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406340834571944,0.4804432770155102,1.2234631358770425,2.364920390631972,3.4440387248085567,4.146698991192538,4.512318576258311,4.682368590571529,4.746016522287203,1.9603045340018777,0.3823419114173162,0.020127454774319,6.587415507289097,1.319076367572478,4.524221793179635,0.0997069663293704,3.2507934931974067,7.041322038530868,0.541315831439674,7.581320144714799,0.431635920523457,21.638140734790145,3.2507934931974067,7.041322038530868,0.541315831439674,7.581320144714799,0.431635920523457,21.638140734790145,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.348389902577472,3.9986199363606496,4.673550066292584,5.355722617227002,6.031279710465092,6.6901045433924775,7.325443347041186,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_12,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407320804284508,0.4810011115503626,1.22690712688593,2.37822501098449,3.470244862651939,4.1815398187567405,4.551496943379155,4.723508976556896,4.78788108767493,1.969431907479112,0.3826931183604887,0.0201538464305265,6.647658784350432,1.3436610796162196,4.552308021084019,0.1028115961385957,3.289801627609089,7.122846345469578,0.5449321242736666,7.64925862179842,0.4422139912729193,21.69624056111121,3.289801627609089,7.122846345469578,0.5449321242736666,7.64925862179842,0.4422139912729193,21.69624056111121,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.345220053357508,3.995118818407666,4.669586668114715,5.351213686119926,6.0261829403142535,6.684408738620053,7.319159030323598,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_13,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1409936483922022,0.480160510794644,1.2247903290082611,2.43630768955366,3.682696746930872,4.540255539371325,4.998472452413854,5.214098149906026,5.29519322206396,1.9942892737876008,0.3824333594903625,0.0202334059574674,6.758798372445535,1.333568992362843,4.655255642563331,0.0974030344804078,3.258895821342335,7.101604994617842,0.5841127761357855,7.93179803042862,0.354997185242741,24.593415222793315,3.258895821342335,7.101604994617842,0.5841127761357855,7.93179803042862,0.354997185242741,24.593415222793315,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.418371382892249,4.073883421251617,4.751731501692283,5.434850327000962,6.109800225144656,6.766846187982598,7.399555148683423,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_14,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408892712877101,0.4812502742527487,1.2265078998021943,2.370963073254941,3.451848363809088,4.154942613321046,4.5205561950301325,4.6905499822594425,4.7541682386684965,1.9653882018123623,0.3829197997217411,0.0201989397686429,6.610404697380844,1.3294194902686505,4.53596748525738,0.1016369573919592,3.260192108055562,7.061477467145275,0.5426846843819814,7.60166958311141,0.4332517048685094,21.68696736646089,3.260192108055562,7.061477467145275,0.5426846843819814,7.60166958311141,0.4332517048685094,21.68696736646089,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.3352831336924065,3.98610388689548,4.661370547735135,5.343638003507758,6.019071343180644,6.677577343301864,7.312422736562729,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_15,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410593049926505,0.4814345436769345,1.2324071378698047,2.457539918782875,3.720093507559428,4.58930222807367,5.053852597841929,5.272480655431438,5.354708320597431,2.010197038823448,0.3831344374911231,0.0202477155374733,6.827577489282294,1.3499233346956676,4.706473234367615,0.1016393425478965,3.2809611696528425,7.14891357490654,0.5873159971381401,7.979489146757963,0.3588102258615022,24.707313951405588,3.2809611696528425,7.14891357490654,0.5873159971381401,7.979489146757963,0.3588102258615022,24.707313951405588,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.412125906448696,4.067924411773948,4.745968440421852,5.4292133993426726,6.104233419857422,6.761301496511006,7.393988816284356,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_16,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140927614420328,0.4786928805361386,1.225886144280728,2.449414091413438,3.674890874684224,4.4980448360561525,4.932526521415751,5.135872689187488,5.2121787035316425,2.005613097483537,0.3815917498313804,0.0202191395215806,6.741974608758115,1.3678747687463086,4.640789116684261,0.1089429243343174,3.120741763975224,6.811255947749894,0.569737064398896,7.678638279166391,0.3204730892210444,24.2778856880466,3.120741763975224,6.811255947749894,0.569737064398896,7.678638279166391,0.3204730892210444,24.2778856880466,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.3436253457205143,4.002080082970042,4.684320872504549,5.372603140818345,6.052998804537557,6.715450052991216,7.353327557166947,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_17,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406009815684818,0.4817881864470912,1.242726007840931,2.463956634433316,3.656671942664729,4.442938059670076,4.853682283409068,5.044977635246278,5.116612101758784,2.024717134557135,0.382966789687676,0.0201140216806809,6.895989281997525,1.4438869833627024,4.679460065127099,0.1202669203380203,3.947130440515763,8.50755011860118,0.616473675869843,8.878919847474506,0.600584903773559,23.41750510831019,3.947130440515763,8.50755011860118,0.616473675869843,8.878919847474506,0.600584903773559,23.41750510831019,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.3467770580731373,3.996223136831572,4.670239242542847,5.35143091410137,6.026004009914559,6.683895080845776,7.318389465079631,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_18,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410443950357013,0.4793641893071282,1.2224313564529226,2.4250645297809834,3.635345236284256,4.454532570047904,4.888824900926283,5.09249896949879,5.168993552708092,1.9890197036274504,0.3820481132495731,0.0202501971650078,6.676461958139509,1.3320396229834028,4.602619223367538,0.1011989993548179,3.219325187216396,7.026817010477506,0.5881182756253454,7.924271392219157,0.3298779415137736,25.07165335769219,3.219325187216396,7.026817010477506,0.5881182756253454,7.924271392219157,0.3298779415137736,25.07165335769219,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.365261690109241,4.021415985287399,4.7013025942373625,5.387318066616433,6.0656204555043765,6.72619560244369,7.362428345073108,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_19,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407831881859088,0.4818704016437725,1.2370286293646446,2.427466875732214,3.574598899292311,4.32647787328218,4.718382796381714,4.900741401132197,4.969005344334081,2.001805581401878,0.3831544905962164,0.0201657844487588,6.761059216747656,1.394911580354599,4.609319331450436,0.1123905935327147,3.966254345822014,8.550521902075776,0.6211603645800151,8.935537262462134,0.600307500303268,23.649953791490987,3.966254345822014,8.550521902075776,0.6211603645800151,8.935537262462134,0.600307500303268,23.649953791490987,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0500,3.3544640146334244,4.003305425424548,4.676890717431441,5.357801771629524,6.032211886040851,6.690025338407292,7.324499599935396,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_20,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170258555180858,0.9115428855031308,2.135957592494124,3.6729080959598255,4.98466033015028,5.798101503862973,6.2123531246124415,6.403254421162632,6.474439850033008,3.1522079514033274,0.7149397280891072,0.0232211692458422,9.30697537293431,4.846158871850595,5.632327045329327,1.6699539768676996,2.176326688397652,4.785326526786499,0.4315859165096764,5.629014020475063,0.1592417828813118,19.513351772181792,-2.139532476699112,-4.711945990685515,-0.4315859165096764,-5.592219808776523,-0.1428683586754613,-19.513351772181792,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.453756716057514,10.223407046494671,10.96775832274605,11.683520792683094,12.368251008233962,13.020284202695972,13.638677332312271,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_21,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172030252057862,0.9102100067792732,2.1266134059185147,3.659273188939341,4.971004543497303,5.7834464870208375,6.19652250445272,6.386699558489082,6.457583633079906,3.139080079324902,0.7143923329843325,0.023293753345309,9.1981743225236,4.800543662768243,5.587591418666498,1.6554843986123955,2.028747432324286,4.464364219696072,0.4057494864648571,5.274743324043143,0.1420123202626998,18.25872689091857,-2.028747432324286,-4.464364219696072,-0.4057494864648571,-5.274743324043143,-0.1420123202626998,-18.25872689091857,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.458184225066246,10.233481876718027,10.98165690087914,11.699780396532637,12.385727156184776,13.03810084714821,13.656177733407556,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_22,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2170399151934494,0.9111738884989488,2.1327590487731545,3.656698304923754,4.943769613700762,5.73551805903238,6.137022596632241,6.321691154050559,6.390496716018029,3.1421492949460643,0.7147437200259267,0.0232430424613546,9.212855466480594,4.815394009511135,5.5855702819659605,1.6660981047860397,2.228812099092687,4.834486778922987,0.3777416020188803,5.250744915243732,0.2835558803108451,18.69889253584104,-1.5486039210961164,-3.477913599135525,-0.3777416020188803,-4.57053673724716,0.0191367588976291,-18.69889253584104,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.535178712039496,10.305855367710748,11.050996409441604,11.76740631907793,12.452671295556316,13.10512778924173,13.723825643435369,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_23,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173186321176536,0.9103140017118762,2.1255378264744813,3.64499140936301,4.933104595928163,5.726571356528468,6.129023284526064,6.314120100229703,6.383082371614221,3.1311487504367985,0.7144852736942029,0.0233424915165389,9.140080435689608,4.779177897251018,5.557523828329717,1.6545671944224576,2.0234240039729814,4.452649738790752,0.4046848007945962,5.260902410329752,0.1416396802781085,18.21081603575683,-2.0234240039729814,-4.452649738790752,-0.4046848007945962,-5.260902410329752,-0.1416396802781085,-18.21081603575683,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.577538016061098,10.352561429240977,11.10085596410811,11.819451760263648,12.506135915426782,13.159414096091544,13.77847400538277,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_24,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173079657064211,0.9106561938220944,2.129175411150365,3.649545633754019,4.933603587094115,5.723106817640543,6.1232935833682,6.3073096212241,6.375864217806333,3.136144125674526,0.7145867073010544,0.0233507810510305,9.152553718410246,4.795537903988281,5.556496942477145,1.6616125260754824,2.031277207223673,4.469931120910467,0.4062554414447345,5.28132073878155,0.1421894045056569,18.28149486501305,-2.031277207223673,-4.469931120910467,-0.4062554414447345,-5.28132073878155,-0.1421894045056569,-18.28149486501305,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.571733030958756,10.340964981580354,11.08415114880183,11.798333395989095,12.481266878175372,13.131400438201425,13.74785335583031,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_25,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.21779271235684,0.9126748583646476,2.1327987263828945,3.653070251905647,4.938156067090768,5.729968926776992,6.131942348001754,6.316927342809479,6.385867057798667,3.1397735386006724,0.7162080769929987,0.0233576368145488,9.218653842629973,4.809857985379924,5.596266011116854,1.6656882310934338,2.184796410118739,4.8053643689901095,0.4346375384038978,5.661896717349921,0.1572890179955304,19.61673281867165,-2.1615789739202382,-4.75906067510763,-0.4346375384038978,-5.63867928115142,-0.1469572588871976,-19.61673281867165,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.590849293110606,10.356978012405024,11.097487994851924,11.809478434249687,12.490690538022726,13.13952283538844,13.755030219180188,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_26,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171128269191694,0.9102455309063862,2.1275417116841933,3.640671307674189,4.912235130836907,5.6919169204428375,6.086704183140876,6.268165163151051,6.335757845957452,3.1306784042622384,0.7142448086501608,0.0232980764497424,9.11748658942077,4.777837833801158,5.541193435854733,1.6589382012554983,2.0134717794659203,4.43074935124729,0.4026943558931841,5.235026626611393,0.1409430245626143,18.12124601519329,-2.0134717794659203,-4.43074935124729,-0.4026943558931841,-5.235026626611393,-0.1409430245626143,-18.12124601519329,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.548977517105133,10.31720404932582,11.059454447787036,11.772776132053393,12.454932845913763,13.104380324390135,13.720241258467134,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_27,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.217451839506809,0.911908507803852,2.12977945692561,3.641565529827709,4.911255635917388,5.689712158901532,6.083889729031345,6.265075510629618,6.332566645314783,3.132183777521247,0.7155950689934527,0.0232696341141939,9.153512459833776,4.7850050181705495,5.565559843325256,1.6614327489079694,2.176540016369337,4.7889988181960605,0.4347351010658212,5.654420824895909,0.15343199278594,19.57740210316312,-2.170810994288876,-4.777573143009891,-0.4347351010658212,-5.648691802815447,-0.1508825779601345,-19.57740210316312,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.542754365427522,10.310193253420724,11.05124222428253,11.763260975242984,12.444187195401732,13.092563433929003,13.70754670467489,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_28,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174824610696037,0.9119071041165449,2.130770049281192,3.64896513672364,4.93179807200177,5.7219857187065895,6.123072295952982,6.307636389163838,6.376417276315724,3.136432282846089,0.7155771769757483,0.0232910912334788,9.198543619996082,4.80039826736378,5.5864021649394,1.662806193525847,2.1862128768926863,4.808960214104415,0.4353852659755824,5.669295004697345,0.1565173565130282,19.638769703975083,-2.1676397828631377,-4.771918964026585,-0.4353852659755824,-5.650721910667797,-0.1482523296698791,-19.638769703975083,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.497457102230486,10.264167583163008,11.005161050205658,11.717541221856427,12.399055085919048,13.048109318833657,13.663768881774924,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_29,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2171217823774585,0.9099422574020484,2.1266906222752064,3.644355648287867,4.926334922975152,5.714912444533134,6.114773862539066,6.298676630364801,6.367195122065358,3.13187941083328,0.7140591234845243,0.0233218808428236,9.131604791121074,4.784049292761733,5.546982170042331,1.6578111862339802,2.030691488730842,4.4686422169096325,0.4061382977461683,5.279797870700189,0.1421484042111588,18.27622339857757,-2.030691488730842,-4.4686422169096325,-0.4061382977461683,-5.279797870700189,-0.1421484042111588,-18.27622339857757,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.479171623695237,10.249134220721574,10.993112319114331,11.708104460463218,12.39183180826702,13.042719748991493,13.659873369731674,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_30,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2176950349609521,0.9123404019105584,2.131091213226279,3.644437978758931,4.915925581102203,5.695781572149303,6.090756977942925,6.272329259881252,6.33996750268594,3.134478608181141,0.7159613583821917,0.0233406022436961,9.170694297266182,4.791354485770218,5.575069179187617,1.66336532862554,2.176947285664928,4.789719275441202,0.4346460812944127,5.654115936020229,0.153780139693869,19.577658054212893,-2.1695135272791988,-4.774893759404623,-0.4346460812944127,-5.646682177634501,-0.1504721172122196,-19.577658054212893,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.371207818545669,10.136898379467826,10.87651354940464,11.5873247446398,12.26720855855202,12.914662885701055,13.528811487828628,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_31,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2173662119617117,0.9109910362255942,2.1299216763744715,3.644905750866148,4.917407166569631,5.697393306183438,6.092261694631423,6.273744159536589,6.341342348676137,3.1343738588141785,0.7148192095356012,0.0233511727286687,9.13556549949574,4.786998929102681,5.550857430289216,1.6626984832710614,2.0158931233718955,4.436077644422272,0.4031786246743791,5.241322120766927,0.1411125186360325,18.14303811034706,-2.0158931233718955,-4.436077644422272,-0.4031786246743791,-5.241322120766927,-0.1411125186360325,-18.14303811034706,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.379558554745872,10.14791911089951,10.890306319435314,11.603757945590576,12.286037904739263,12.935604601178795,13.55158310225696,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_32,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172972559103028,0.9102833741847408,2.126356006935352,3.657818120809622,4.967296328511655,5.777753733979901,6.1896643720595685,6.379272020698287,6.449938759218038,3.138184589291045,0.7144886193571505,0.0233243656781727,9.192185471218345,4.797949043801024,5.584695971773561,1.6551129946491876,2.026228480676015,4.458821135608567,0.405245696135203,5.268194049757639,0.1418359936473209,18.23605632608413,-2.026228480676015,-4.458821135608567,-0.405245696135203,-5.268194049757639,-0.1418359936473209,-18.23605632608413,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.516171019030516,10.293705122467456,11.043718294708368,11.763404596682369,12.450716368269497,13.104305706106846,13.723479357786305,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_33,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2169905049541882,0.9113145124244582,2.135117054483798,3.6721278594332407,4.985610330945202,5.800946598648114,6.216384638225915,6.407879521875119,6.4792935868989,3.151200414364065,0.7147794642221748,0.0232231618712646,9.303297972441044,4.843709154474934,5.630627294815623,1.6686433797216853,2.174287841900076,4.780992513625686,0.4313261327555215,5.62489690394425,0.1588215907289307,19.49796186461081,-2.1389734856551392,-4.710563327248598,-0.4313261327555215,-5.589582547699313,-0.143106702199934,-19.49796186461081,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.493713381430435,10.264732886623836,11.009994633290964,11.726326497522024,12.411368574284818,13.063518291177974,13.681880341930968,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_34,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2174406975151047,0.9107548394007796,2.126769680727348,3.6472924055258624,4.936690531614981,5.731215921465322,6.134285860590849,6.3196848893051385,6.388762609376762,3.133058481328694,0.7148251846213843,0.0233581196763665,9.149447620555971,4.78435900777554,5.56233191217932,1.6564155119854698,2.0255273721252545,4.457278309784974,0.4051054744250509,5.266371167525663,0.1417869160487676,18.22974634912729,-2.0255273721252545,-4.457278309784974,-0.4051054744250509,-5.266371167525663,-0.1417869160487676,-18.22974634912729,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.591000174084336,10.364744307021375,11.112031166308425,11.8297950751699,12.515769353616683,13.16843027153985,13.786949239048155,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_35,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2172674266936132,0.9117659345592132,2.1340588248500003,3.658844677829343,4.9464227309507205,5.738339712013399,6.139879156327054,6.324551477022347,6.393356405836063,3.144032600083221,0.715241901907469,0.023282327646513,9.22393366378204,4.820220077207597,5.5916823293084565,1.6680167721010688,2.400881831132165,5.195806767722618,0.395348335907688,5.563668518393669,0.3271142850268982,19.911375873814585,-1.5526015279447152,-3.5040389450607288,-0.395348335907688,-4.715388215206219,0.0503704498915169,-19.911375873814585,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,9.571074375729363,10.341944474289743,11.087290441190245,11.803928025590285,12.4894501082874,13.142194958540964,13.761210457104855,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_36,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.156019208880093,0.7791125869807064,1.8977218019163384,3.500948279934188,5.034337249235678,6.034747975702271,6.554495028940535,6.79593298008048,6.886246046548457,2.9302538186773828,0.6018654536157899,0.0096484251312642,8.571177806682208,4.163292825759288,5.019457701750264,1.2612448450565708,1.6069580642992722,3.2760370665381187,0.0690587394912415,2.159427980229205,0.5856112020670983,9.415965111321192,0.9163706693868566,1.7563635934888129,-0.0690587394912415,0.3639007534569242,0.5372700844232292,-9.415965111321192,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,6.788092972380734,7.603646943009386,8.414713372374445,9.214120019937704,9.995737234307407,10.754400941612916,11.48594629663038,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_37,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.100442714865925,0.7273734434341268,2.175962964170709,3.9943772099583335,5.445631704810623,6.306012151095232,6.7348381571921285,6.930599372302816,7.00331560484144,3.392313512881495,0.522865918033452,0.0035872116505637,10.855571570013096,5.281481415391359,6.65451654534997,1.7259072241289737,1.0025325461749697,2.197790517629564,0.1924227060508751,2.54191419458197,0.0853344092024705,8.86111685189235,-0.9216945143337816,-2.03657118882709,-0.1924227060508751,-2.4610761627407824,-0.0493614850331418,-8.86111685189235,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,8.037441769024703,8.76865874939536,9.497021644998512,10.218693098109942,10.928697311714638,11.621942255211192,12.293870987279355,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_38,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005497068261197,0.7275453004551387,2.175844504202124,3.9960122360550456,5.450817912306397,6.314017409519342,6.744397983549433,6.940896397495905,7.013890474951291,3.39302230353138,0.5230783139369696,0.0035921040338634,10.859684709910672,5.284070308768347,6.656689242855,1.725847822819803,0.9855062829705163,2.1597809826242127,0.1884914086012386,2.4934375517804264,0.0851289047945572,8.697359586877358,-0.8994078030418702,-1.988070479178517,-0.1884914086012386,-2.40733907185178,-0.0468150812263096,-8.697359586877358,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,7.984571249455389,8.716470394935866,9.445390198898776,10.16755637968842,10.878037008845771,11.57176687492808,12.24420269951192,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_39,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1557221978930042,0.7787981446041814,1.897651790579929,3.4996722038013623,5.03143811950456,6.031009043144785,6.5504293130982445,6.791743319064514,6.882014669507124,2.929552009518321,0.6014993348705121,0.0095950816513811,8.552599854139684,4.161799967517306,5.007725992558865,1.2614455282208674,1.616553800713341,3.2974639441069127,0.0712794945289193,2.186789756944695,0.5857173890757131,9.50835889414509,0.903758855424148,1.7289216016608886,-0.0712794945289193,0.3335228991927939,0.5358217429054697,-9.50835889414509,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,6.786878781932103,7.606307983457479,8.419967222911223,9.221097828116232,10.00387770118911,10.76336572359203,11.495552649670262,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_40,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1557396845303666,0.7785638033266306,1.8951196872839664,3.490810063213276,5.016895745895231,6.013669595700511,6.531971094887872,6.772845673096684,6.862965825385905,2.9230486871946013,0.6013727134836052,0.009606404846454,8.499407177837133,4.1255852482160345,4.99558848814744,1.256865577262482,1.5921730645200334,3.241658171474973,0.0643134598592105,2.106680743393718,0.5879292764753953,9.247134519784378,0.9490384659279278,1.8264070442739184,-0.0643134598592105,0.4345307870542433,0.5429098545739478,-9.247134519784378,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,6.799509310087878,7.6081384952445825,8.413855915110855,9.20921893579458,9.987894610121206,10.744552300599496,11.474882044376336,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_41,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1005774898144376,0.7277850120261364,2.1753971311584253,3.9849297267663073,5.419639473198554,6.266029456917091,6.686779050308612,6.878620124135906,6.949843852692863,3.387138017521405,0.5232328584781218,0.0035964364461982,10.7942808855688,5.26178709946119,6.625080276846128,1.7252422489629071,0.9599567129016704,2.102134535595501,0.1820010137826543,2.4159648231629047,0.0859288363987664,8.439803840161437,-0.8600534249248725,-1.902892413218974,-0.1820010137826543,-2.316061535186107,-0.0414718732490914,-8.439803840161437,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,8.073115029543883,8.800999257978061,9.526504037802052,10.245796997932096,10.953874547801618,11.645598632822487,12.316358436953456,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_42,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003972186308881,0.7272026217467272,2.174758319341408,3.983898748795229,5.4178963532168565,6.26384255822622,6.684396192238129,6.876156625904681,6.947352022702891,3.3863150373812787,0.5227141383377855,0.0035878251143603,10.79614521694773,5.258903368442176,6.626531487667087,1.7241166407629605,0.9618511215567744,2.1071345403307395,0.1831861534359379,2.427340349044277,0.084549711400381,8.472978676502631,-0.8700104128026045,-1.9239720228268609,-0.1831861534359379,-2.335499640290108,-0.0436805960047753,-8.472978676502631,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,8.119161980993205,8.84955802483442,9.577256394720978,10.298417508431086,11.008035355784545,11.70098057684753,12.37266201522768,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_43,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.155919568419261,0.7785152236342231,1.895084854191592,3.492779256230511,5.020111926009922,6.016834018291314,6.534822830589766,6.775486814153491,6.865517692683587,2.924262260516977,0.6014279349379532,0.0096486867633776,8.515085958361192,4.131440319311047,4.998294468243053,1.2565125200873828,1.576836389675886,3.2075600083810687,0.0609076096555472,2.064097266920264,0.5874904253016184,9.102334141490376,0.9677602931204142,1.867256385953732,-0.0609076096555472,0.4804994158760365,0.5448550985427354,-9.102334141490376,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,6.891261011580636,7.704050762767548,8.513295447925854,9.311651416162638,10.092795244375624,10.85138482524403,11.583108844184505,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_44,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1573086868713868,0.7805710989570483,1.9117216919020188,3.5640894757486024,5.151047863622776,6.184408573045378,6.720262097643604,6.9689262929381695,7.061899905442992,2.973923621659852,0.603320616737348,0.0098955846700133,8.874123799320833,4.308231192441471,5.139561376879075,1.2782024168329391,1.566141645717964,3.18286973506212,0.0575335895769776,2.0255992624362555,0.5889230106921582,8.978966997934222,0.991211299896952,1.917705612705,-0.0574524795872247,0.5307398083067486,0.548647875788479,-8.977101468169906,25.0,57.7123,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.7399999999999998,-45.0,RSM0500,6.670953683975563,7.488460516728619,8.303014526762706,9.1065517320357,9.892263965313564,10.65452163099399,11.388880765519836,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_45,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0996152623444961,0.7254148394185765,2.17823003564243,4.010728522561376,5.478535597316711,6.34918776568594,6.7829437125129175,6.980882649383343,7.054394183654425,3.4029147350746647,0.5208703478662108,0.0035436910449516,10.936191780378063,5.319958314239633,6.683869101064023,1.7299084383431158,0.9887530474352674,2.1705226631186427,0.1926295796996314,2.529789685032319,0.0788146441718849,8.796356831168966,-0.9375427495610472,-2.068391405553191,-0.1926295796996314,-2.478579387158099,-0.0560260616178569,-8.796356831168966,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,8.03658107131299,8.775504857251335,9.511752554025287,10.241078559926324,10.958176652265536,11.6577308750576,12.335062602464772,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_46,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0995676548723818,0.7251758873387839,2.1777071562292094,4.009967070802331,5.477985583501414,6.349062127891755,6.783125516060867,6.9812266477539024,7.054801936006288,3.402198963188211,0.5206854076812016,0.0035412304535436,10.941817169139274,5.317807205706389,6.68918454397864,1.7287362648355682,0.9958816240343272,2.186061715329357,0.1939119876979819,2.5471775256181832,0.0795823457615593,8.857647874131276,-0.9432382529454928,-2.0810724081983394,-0.1939119876979819,-2.494534154529348,-0.0561560456270278,-8.857647874131276,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,8.068856467807827,8.809005469753806,9.546227785320834,10.276304187118464,10.993948525881548,11.693864269207204,12.371393287137774,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_47,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1572443686079722,0.7805158476570416,1.9135327505273687,3.57041210269906,5.16216984371349,6.198897890930895,6.736583557343437,6.986118854957074,7.079421619401373,2.978560635954205,0.6032033756971744,0.0098904474492129,8.909740673689454,4.322978200309018,5.153863350571459,1.2798643164965713,1.5508193256602254,3.1482210820264087,0.053359343631288,1.9754111338044555,0.5896871477873403,8.814491751731317,1.0183673598003822,1.9765328436495988,-0.0531310495406806,0.5909218755235593,0.5523310413636265,-8.809240987647346,25.0,57.7123,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.7399999999999998,-45.0,RSM0500,6.922184993287696,7.7510705292062845,8.573895083192868,9.383311038326598,10.173097196560157,10.93809859051892,11.674245797058289,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_48,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.157337348249793,0.7804457582591108,1.9125764369603,3.566972942783244,5.154689136597046,6.188155173780739,6.724006750386659,6.972663433421574,7.065633590628571,2.976228363365853,0.6032208469867382,0.0099120688777656,8.870842539690942,4.304719709542307,5.1305477473275065,1.2771258118931494,1.4154410221395517,2.8448628624994483,0.0213162602393945,1.585965699430951,0.58990237041127,7.503514236729972,1.202281122057484,2.375793418054055,-0.0213157197770188,1.0317496889863886,0.5749809774344463,-7.503501806095333,25.0,57.7123,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.7399999999999998,-45.0,RSM0500,6.901256468477931,7.723288775883382,8.54112702166139,9.346758840123744,10.133505941286032,10.8959110098741,11.629713410323507,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_49,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0995048394013719,0.7248788779988076,2.17611140113222,4.00035498093929,5.456988557822184,6.320226675015562,6.750263257772456,6.9465174454100485,7.019406451131734,3.396155586927028,0.5204472093936824,0.0035387136686128,10.8975332897787,5.292392204079751,6.674758138787791,1.726168320819668,0.9788999136118104,2.1469195662594616,0.1887959608032391,2.4892676000377234,0.0816180350511822,8.670418784123834,-0.9090596944205808,-2.0076337251154333,-0.1887959608032391,-2.4194273808464937,-0.050539137511085,-8.670418784123834,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,8.032214000809597,8.76923023264794,9.50337144780301,10.230429733485384,10.945149808300116,11.64227050362774,12.317164681269508,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_50,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0996561820554007,0.725506656439395,2.177097551588128,4.000257967213765,5.454497382464029,6.315641244874779,6.744451560237597,6.940106782466166,7.012767150035732,3.396638541123312,0.520950197966058,0.003548675095694,10.885937278373085,5.2929494531830015,6.667327136315666,1.728082899056445,0.9746273963283256,2.1387049858598983,0.1890930621356744,2.487371893413721,0.0791596998617152,8.654998224355118,-0.9163032250284188,-2.0223861748279286,-0.1890930621356744,-2.4290477221138147,-0.0532054436332567,-8.654998224355118,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,8.036136752527042,8.771437293568658,9.503873541703303,10.2293627515303,10.942732347281163,11.638765949683746,12.31285121000851,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_51,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1574295036058893,0.7805985402836145,1.9103691188717853,3.558658575090761,5.140636139219553,6.170608776356032,6.704710713020545,6.952567457314653,7.045240295969515,2.9701479609581893,0.603422982028817,0.0099190711139074,8.839853936045492,4.2787257780732,5.13395650809701,1.2754954951300712,1.4261341771126903,2.86968180608936,0.0247050076766149,1.6237742385256095,0.5883078194214942,7.62477103909575,1.1790841003465409,2.326035265561458,-0.0247050076766149,0.9814440389336218,0.5710143140478638,-7.62477103909575,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0500,6.954372732862536,7.772337096792271,8.586751580280774,9.389723419459608,10.174602400000849,10.93589309877122,11.66925623161463,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_52,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0662794096865026,0.3784420296012366,1.3746592310184884,3.1411688653240377,4.809925225470419,5.867411416026326,6.408231729296978,6.657678025231473,6.750712850467269,2.507328567233842,0.2734263507825345,0.0044380251339915,8.564188525594599,2.879806229295495,5.162364543628788,0.5173883539271983,4.489529383433013,9.923332542953943,0.4487024306517294,4.927507506438262,0.7314896676189572,17.282456972434332,-0.4624321383887083,-0.5168037797425432,-0.0985200615174419,-4.927507506438262,-0.7314896676189572,-1.870330253486668,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,13.867598166923264,14.783934243397203,15.5953549294306,16.317747129130876,16.963858040079526,17.54398946007371,18.06657292728397,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_53,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.066854539460146,0.373376362955981,1.2748643378894433,2.9190431028708965,4.597850841802395,5.717886488870911,6.305023472379824,6.578790058186296,6.681350933610467,2.313600804356609,0.2727201759830456,0.0044939775423476,7.938991654359112,2.264741973871822,5.005696273112787,0.3667770627176,5.3778902852541774,11.907413511415644,0.5395910530883821,5.8053195131210895,0.8569127412679788,20.515322187005097,-0.4082302004028827,-0.299238270784469,-0.1074466978839216,-5.8053195131210895,-0.8569127412679788,-2.1309990970255344,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,13.932270168321285,14.811446082859751,15.596545682599418,16.29982160174764,16.93173321757255,17.50113754519194,18.015535240342448,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_54,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0668776574630282,0.3782954618883739,1.3637989552325638,3.116619032151932,4.780551767562611,5.837896698240644,6.379305929498593,6.629152550926458,6.7223559809035605,2.486534841761484,0.2739554016624571,0.0045194830330212,8.439604639937635,2.798125818119637,5.121251801879177,0.512939812427766,4.514583421430916,10.013886024566515,0.446204301511902,4.664279178140861,0.7111398302048444,16.968017644162053,-0.1446618062164021,0.193414883569935,-0.0662111175802052,-4.664279178140861,-0.7111398302048444,-0.966522024061701,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,14.695613283356815,15.489497294407098,16.196207876534025,16.828839387840294,17.397732138963963,17.911169650159948,18.37590959324543,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_55,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669185053628754,0.3744839205545686,1.2847317307650026,2.9480864254135914,4.6452899684818245,5.776373031644927,6.368874837533935,6.645041843379053,6.748485473182055,2.3356006995034124,0.2733027154074874,0.0045001210337259,8.074210240429716,2.312247570702345,5.08277132186417,0.3772161249777883,5.302457229116158,11.73957333049751,0.526991167454714,5.656497687252809,0.8506664024322221,20.18307936756516,-0.3678214360870253,-0.2132081352636025,-0.097892402843485,-5.656497687252809,-0.8506664024322221,-1.687845592871804,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,13.606243928751052,14.512956755345826,15.324502961646967,16.052492085201976,16.707090728062607,17.297080840739188,17.830016625204976,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_56,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0671914143941034,0.374649316187076,1.340163940035294,3.1099534202634684,4.873878442341674,6.031095909225002,6.632802506212088,6.912353962805744,7.016927150331464,2.4631026291092084,0.2720844497227783,0.0045866371415654,8.641227983313424,2.6280566902144336,5.305758634571231,0.4419207873245286,4.75383875119592,10.508366034952642,0.4740528683413073,5.197129248678311,0.7749413927783617,18.28033779748971,-0.4743917327122793,-0.5123964765957878,-0.1019270406470777,-5.197129248678311,-0.7749413927783617,-1.878959017103768,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,12.722832105670896,13.487118895451047,14.177673992188186,14.802574919003202,15.368962283302965,15.883070243613853,16.350342434419517,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_57,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0685096639621253,0.3813684668525028,1.3535144560196537,3.073961478017175,4.705645879901281,5.740899369911387,6.270323266613891,6.51446724433847,6.605514471919664,2.455678032192369,0.2771995615706934,0.0047364348419518,8.444343193115378,2.767640072582966,5.08896714252242,0.4519235587132245,4.539483500046441,9.992235758275964,0.4721210864425123,5.505866727899223,0.7558044419353467,18.09118021252244,-0.9481798520015376,-1.603637468445304,-0.1598338126994772,-5.505866727899223,-0.7558044419353467,-4.027241257447196,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,13.90159914339301,14.785619071823906,15.572224947941798,16.27542097188244,16.906634818888538,17.47522633748832,17.98893405912552,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_58,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664175148269675,0.3718921747897099,1.3448555550960826,3.1428280176303742,4.9379394754298005,6.114789022852225,6.7262410027846204,7.01020066774834,7.116402838228072,2.484819560656402,0.2696346869360186,0.0044959189566801,8.800673515923249,2.686578221968094,5.383476506877823,0.4400915229595202,4.711495806828778,10.405551208944498,0.4687305720007311,5.192274864041869,0.7768760033780233,18.19984387834465,-0.5343565328158097,-0.6485529697547976,-0.1055010699126468,-5.192274864041869,-0.7768760033780233,-1.8982635886235788,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,14.872549769273403,15.576623377286852,16.208818906197592,16.779439066643047,17.29644469222243,17.76615874121741,18.19375899256742,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_59,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0687223333831337,0.3802159512689087,1.3472747546908372,3.0637011612966187,4.695916593784911,5.7333111314823,6.264314008314522,6.509290412029315,6.600664493146955,2.446254080244368,0.2766853238900604,0.0047733855510414,8.37437543497611,2.720077679873038,5.069845940224934,0.4518274703808538,4.387514308606349,9.683332268609904,0.4506668189646884,5.080968930854136,0.7147442190606039,17.165323880845257,-0.6667788431728175,-0.9924060142288236,-0.1271246045791639,-5.080968930854136,-0.7147442190606039,-3.057375943189577,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,14.46219433134096,15.288663530376049,16.025174099932737,16.684710863947757,17.27777104128399,17.812902884289986,18.29715337861585,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_60,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.068245914144135,0.3797909452303597,1.350516504341536,3.073359407822017,4.70986769244487,5.749144863251205,6.280886922795995,6.526156572625206,6.617632552610581,2.45381811331714,0.2760568495992364,0.0047059028911553,8.442310927373802,2.7604459321406023,5.0963274944761245,0.453773011371791,4.48262204693149,9.86942825858212,0.4640086285858061,5.390581634323879,0.7465853173560527,17.817486428092188,-0.8995933163890791,-1.5001585930095858,-0.1524409128864659,-5.390581634323879,-0.7465853173560527,-3.758247523437338,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,13.744851242979236,14.61033811861668,15.382002970477712,16.073001500529895,16.69410466570319,17.254175303417156,17.760581490855895,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_61,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0668919366589504,0.3734171220768248,1.344006057721572,3.1297444039425497,4.90782998784011,6.072585960110456,6.677677110257712,6.958682884825215,7.063781405868491,2.477032190380743,0.2709962500258104,0.0045528329795321,8.732457911452698,2.665928187606114,5.347691467920332,0.445005297179214,4.709560991580239,10.40599498399796,0.4692286504605285,5.170772661895972,0.7719048626257142,18.15157066710283,-0.5023274767204956,-0.5787023553493127,-0.103382257864029,-5.170772661895972,-0.7719048626257142,-1.889811124256684,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,14.099705205477136,14.951000692411291,15.711260508224685,16.3931315459744,17.006887997994312,17.560960322901508,18.06236672061028,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_62,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0690356975214008,0.3808051403916542,1.346803507687268,3.058112550148997,4.683260101091666,5.715165243095546,6.243061263128417,6.486536852971199,6.577340270384184,2.442818156213914,0.2772414226837223,0.0048186772433391,8.373379297272795,2.720653697418083,5.057285605715965,0.4427414361012229,4.356537697387752,9.60505750207686,0.4505243078689798,5.15048111599007,0.714932619741076,17.176999275365937,-0.7656613629411437,-1.2174573350648683,-0.1382741918301443,-5.15048111599007,-0.714932619741076,-3.430948214103405,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,13.668828388993898,14.565858965232676,15.363587463895875,16.07615190273405,16.71521583538829,17.290390569937014,17.809644355855706,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_63,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669232224333068,0.3756806018486131,1.3509179958416286,3.1399372908721226,4.923142796777179,6.092740439152117,6.700755346925203,6.983204203862584,7.088855599721855,2.485999114433522,0.2723799286019528,0.0045459501017743,8.768419008065274,2.6807362663417607,5.378056331850395,0.4535561466857783,4.7381928691872846,10.472814650383937,0.4691190581217399,5.137420598586592,0.77661054860967,18.194582140411367,-0.4528779292863927,-0.4631387501552582,-0.0964829763912275,-5.137420598586592,-0.77661054860967,-1.6014890675424938,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,14.46822876724665,15.267416145425118,15.98733873428376,16.637399699813567,17.22563267501632,17.75890031728897,18.24310669670216,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_64,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.067308896819888,0.3730583483429217,1.2746839555377196,2.9223132210494125,4.6032597018966666,5.723819172950431,6.31098158648496,6.584706820209209,6.687243884074209,2.315680256499231,0.2727524468545169,0.0045660672751568,7.960728647913703,2.2699697695648307,5.014352995029316,0.365754168829539,5.295686627022048,11.719191368164472,0.5309147388335335,5.74902053131922,0.849454515074945,20.2605149024465,-0.4478181744367595,-0.3954980812379053,-0.1093609603478562,-5.74902053131922,-0.849454515074945,-2.149134568902144,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,13.756842828745642,14.554459445604005,15.273090831153295,15.921537176018935,16.50772452510727,17.038621282490737,17.52029956000135,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_65,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0663422804543229,0.377864591129394,1.370239951668456,3.132169002257651,4.800210071847135,5.85880104362947,6.400585481193064,6.650559393789256,6.743803820577881,2.4995042371621032,0.27316798117273,0.0044490543029697,8.52988463356334,2.8641003238154705,5.145364303564159,0.5137677356637937,4.436016624297444,9.81134733049005,0.4424707051242135,4.81691220008147,0.7183860988546558,17.00304607017134,-0.3996826520850706,-0.3832433396401101,-0.0914851423231376,-4.81691220008147,-0.7183860988546558,-1.6854085904859493,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,13.714644867203305,14.642314520202058,15.463325955192264,16.19380079170453,16.84673389964363,17.432653884344667,17.960185704346248,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_66,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0665531925288043,0.3748556906544796,1.2839419827901446,2.9432888518093017,4.639175979436887,5.770634120436797,6.363637311917531,6.640099563411237,6.7436631746292335,2.3319808558971715,0.2733842446279024,0.0044406026213679,8.056069863750345,2.301899440151634,5.080181574709372,0.376462980757924,5.389310271017711,11.937916988324412,0.5354083070260646,5.708434211352407,0.8597438306354719,20.44976223185091,-0.3240170562900521,-0.1063610513355921,-0.0949480274845289,-5.708434211352407,-0.8597438306354719,-1.6127094760198628,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,13.616638678439632,14.506145252601462,15.30418793529153,16.02135616817413,16.667115680308832,17.24976269757754,17.77650953422156,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_67,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0668002155727733,0.3777966611954212,1.3636163337042084,3.115456078137048,4.775087208966278,5.828193658062851,6.367043462273349,6.615627892894364,6.708347926989774,2.486145952763642,0.2735520106883227,0.0045130754953597,8.441180200210527,2.8014518664146024,5.114492578272233,0.5075634808138004,4.475146080770091,9.914721099093718,0.4446236935002099,4.729575961072136,0.712383714333082,16.963202059564942,-0.2552087275983357,-0.0577547344477132,-0.0776726193113617,-4.729575961072136,-0.712383714333082,-1.3171688888400668,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,14.479536683168744,15.324493992182882,16.074801828093083,16.744643082891702,17.345333726425377,17.886000585603885,18.3741176138259,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_68,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0055983648384464,0.1547102840257614,0.9476831339895012,2.636011797175822,4.4064379721201,5.586455486803693,6.203288138091985,6.490439017080719,6.59793704510128,2.002819113262977,0.0899619488956801,1.7242772084159635e-05,7.407153945761789,2.1442526012778536,4.266924607658667,0.2145971124366316,6.429032343813686,14.683388405553696,0.6514637811997617,4.243844917994811,0.6418709639656099,20.02246830657951,3.02255913033022,7.39372114750359,0.1704137382910127,-4.243844917994811,-0.6418709639656099,3.185716804773296,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,16.57144328178584,17.486499267046494,18.26628210820016,18.931487991425016,19.50040847495085,19.98869659901253,20.409497693434734,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_69,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0056291162558172,0.1552582249866578,0.9468682802627506,2.6354774876801,4.4129391153654165,5.600209148025568,6.221432088542439,6.510745553910708,6.619071147348811,2.0013055720416952,0.0903617187007556,1.7397940422287674e-05,7.425339521045572,2.145768226980421,4.282476680490163,0.2120346311744229,6.548770517091206,14.94707786621365,0.6639280040792348,4.388463407381945,0.661691908677134,20.49851543550477,2.9984414981250285,7.353382978163346,0.166264345070003,-4.388463407381945,-0.661691908677134,3.0802873701816607,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,15.680308308479692,16.72355269223091,17.61459556106618,18.375793544801684,19.0273964493093,19.58696791225075,20.069374994003347,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_70,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0056527252643484,0.1550726292613687,0.9484872910952168,2.641688557430577,4.419812108073375,5.605633077851882,6.225623322383625,6.514265234083178,6.622324388849943,2.006251290720896,0.0902842589908323,1.7581898433133435e-05,7.434049817243644,2.1518303196363555,4.283239382429324,0.2153851341166276,6.464998944286969,14.761090352455843,0.6557985205726126,4.305148082569804,0.6484886798930222,20.18699187277969,2.998528700427224,7.343899811612306,0.167116926793839,-4.305148082569804,-0.6484886798930222,3.083136090522616,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,15.957576284671742,16.96948711078957,17.832083718211475,18.568133164273352,19.197790643459864,19.738319650392818,20.20422693772311,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM0500_71,RSM0500.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0055329599825042,0.1558196447736807,0.958616567984824,2.6569551255505024,4.431966604479829,5.613902439010991,6.231583755581808,6.519109596989792,6.626745659182847,2.021059554247836,0.090282026234135,1.6787409795522938e-05,7.471366023178857,2.1839165130005425,4.289833151319492,0.2191531653692282,6.418229835643744,14.66098882863931,0.6486611189097911,4.197977956471941,0.6406137696879584,19.94773503942545,3.0495167810425343,7.4538560468479504,0.1746211955846679,-4.197977956471941,-0.6406137696879584,3.356337723046144,23.0,53.7236,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.63,-35.0,RSM0500,12.823138392571328,13.727778521488638,14.50893331328457,15.181873172385629,15.761723630920942,16.26229974311751,16.695692909821194,"[Ga].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]rna,pcu.cat0","linker [O-]C(=O)c1ccc(cc1)C(=O)[O-], nodes [Ga], [O], topology rna,pcu"
RSM1865_0,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0051632710211615,0.1953367038615865,1.1427122057909445,2.933350971131399,4.711946407686812,5.87298902095626,6.475005025075682,6.754342144487663,6.858779490737926,2.278786024931883,0.1106121262387491,8.05843569939902e-06,7.532089988719458,2.43517965333104,4.935581211245652,0.4253836798290499,22.33867944720576,50.03933834150877,1.99424410418316,3.586611056154885,1.6235714703831092,53.82734047443896,-22.33867944720576,-50.03933834150877,-1.99424410418316,3.58403377860428,1.6235714703831092,-53.82734047443896,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM1865,21.159156189607625,21.6198920219392,21.98590430883112,22.280954240889443,22.52193697162801,22.721087036276867,22.887415204988176,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM1865_1,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0044667308919851,0.1758957323437505,1.093537145457106,2.9405436712651127,4.83031211486981,6.0774880096855055,6.726772745321374,7.028515643358733,7.141398814935184,2.2558045521259915,0.0984772928487887,6.873496044711322e-06,8.07121395331667,2.4077843702469712,5.368029187126602,0.3899104810360045,22.742848484335383,50.90426321336917,2.0416134031055218,3.839739159141913,1.557652903501114,55.198695795709554,-22.742848484335383,-50.90426321336917,-2.0416134031055218,2.924244290820436,1.557652903501114,-55.198695795709554,-22.0,-49.3806,-2.0,4.0,1.79,-46.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM1865,21.19870872700095,21.65604261966504,22.018557818432942,22.31025719972589,22.54815695982187,22.744537023577585,22.90841086132991,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM1865_2,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0051638619911169,0.19657719664143,1.1558242494881774,2.9669271679893257,4.761806507252404,5.932337157328719,6.539063976611858,6.820551213481049,6.925787413757192,2.3054935900328686,0.1111374628208538,7.959594129190701e-06,7.6849739378643,2.495393453842704,5.011964424235639,0.4341273978818966,22.34815969440005,50.06144001521226,1.9953729135923384,3.591759178293744,1.6258428469819763,53.87423040824986,-22.34815969440005,-50.06144001521226,-1.9953729135923384,3.5901972664392527,1.6258428469819763,-53.87423040824986,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM1865,21.20803614388449,21.66089796119786,22.020758221401938,22.31092099915889,22.547962623759137,22.74389144997184,22.90755491781644,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM1865_3,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0044578770920885,0.1760164850623208,1.0961897135829433,2.9469696442975626,4.83946445084116,6.087953563115316,6.737769192653024,7.039722916066271,7.152679086512546,2.261000372274093,0.0984665923189863,6.861999312435794e-06,8.09611142577843,2.4185427838647846,5.3790138384518285,0.39115344613123,22.744340985562022,50.90710094036978,2.041482320550941,3.8364115021511473,1.5568437441957763,55.182057510755726,-22.744340985562022,-50.90710094036978,-2.041482320550941,2.9238004500304413,1.5568437441957763,-55.182057510755726,-22.0,-49.3806,-2.0,4.0,1.79,-46.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM1865,21.52882414395251,21.93561149132824,22.25801257988243,22.51742683054457,22.72900778163442,22.90368209212524,23.049465077827303,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM1865_4,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0052355551620515,0.1967846882771801,1.1485025640306503,2.944734223587117,4.727041849799239,5.88984869430769,6.492617254004239,6.772269969822551,6.876820108746957,2.2883962279226364,0.1115359197396659,8.255274730026167e-06,7.587238358583941,2.4576507805991903,4.9660496720198175,0.4291476587011784,22.34238857148556,50.04790133764139,1.994731648581529,3.5893436908204053,1.6242766647735225,53.84791317513994,-22.34238857148556,-50.04790133764139,-1.994731648581529,3.584485414406448,1.6242766647735225,-53.84791317513994,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM1865,21.192424575168268,21.647749337236224,22.00953244634709,22.30122323750802,22.53949917890575,22.736439789355387,22.900943407316827,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM1865_5,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0044080144745741,0.1745803715334343,1.090298707350186,2.934709608928064,4.820823345929909,6.064934431193634,6.712418520040072,7.0132776301583375,7.125822597096644,2.2510178326428334,0.0975953223592788,6.7476033188092e-06,8.041055253409084,2.3904449821625,5.3525643970242935,0.3871904126098422,22.72109177556504,50.85693696725831,2.0378023417627857,3.808141009113968,1.560366488515066,55.04070504556984,-22.72109177556504,-50.85693696725831,-2.0378023417627857,2.976489490332668,1.560366488515066,-55.04070504556984,-22.0,-49.3806,-2.0,4.0,1.79,-46.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM1865,21.423096201474365,21.84689721760324,22.18258885916051,22.452563814835067,22.67266381562299,22.85430287498821,23.0058483116153,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM1865_6,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0051914524459556,0.196643736119941,1.1523482532577696,2.958552547909867,4.750940437740463,5.920342110959263,6.526543747878993,6.8077936931869925,6.912941766886219,2.298511394077504,0.1113081351079437,8.042801979668352e-06,7.652235398140522,2.4801640772251368,4.998260585294472,0.4312347312657622,22.33904890514337,50.04022505357311,1.994406604515711,3.5885290254458555,1.6235614188311396,53.83670671458225,-22.33904890514337,-50.04022505357311,-1.994406604515711,3.5821034439760635,1.6235614188311396,-53.83670671458225,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM1865,21.326217861312863,21.76148787788011,22.10726440508697,22.38600741867371,22.61368150700304,22.80184468667244,22.959008090441127,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
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RSM1865_137,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0601420669905571,0.3623751159142433,1.259736042924018,2.983889807639694,4.839985513972019,6.11144030625505,6.785455918785043,7.101202127141812,7.219711337116501,2.335512199860836,0.2622921772043463,0.0035771436160761,8.415962603790415,2.4498210884322296,5.304719076838879,0.3543982935965863,6.260072030731322,13.732886708609175,0.5589500995148337,4.095636792575363,0.904271460641937,20.760773510985143,2.3277393077417257,5.543080408690921,0.2217600221645341,-4.095636792575363,-0.904271460641937,8.959120803724664,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1865,14.31573376970949,15.198056353603466,15.99084683396906,16.70376866794769,17.345498191746906,17.923785614073072,18.445534114813366,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM1865_138,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.076727753737421,0.3713646187813402,1.1954967727215688,2.7870247500306062,4.44568157526856,5.552302614357169,6.131178923485921,6.400748107334769,6.501677850195251,2.193370862199734,0.2791400395371365,0.0060310184606677,8.008319676551755,2.250410391464613,4.955023345294991,0.2617372162946668,5.344843769809265,11.653315035056458,0.572840484008941,5.944905322633535,0.8047065088851718,20.39881398906539,-0.1908101801951655,-0.0847118043610954,-0.1042919758622046,-5.944905322633535,-0.8047065088851718,-3.300822106424714,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1865,16.439171756075673,17.03572124850438,17.564251464693246,18.038458163121305,18.468120702473207,18.86035436953353,19.22043617426737,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM1865_139,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0650059046906696,0.3721916803472572,1.2070888183534705,2.736840927552196,4.3055980293792855,5.341621903558916,5.880344782188511,6.130481490465247,6.224017354921968,2.1701924244604056,0.2731397965240979,0.0041399615513463,7.490226620749618,2.094919357851692,4.617940474523867,0.2658631291744095,5.817209623259908,12.69288085759436,0.5712050659845406,5.424618891707555,0.8954426521019968,21.20485729250105,0.6045014183536765,1.721116608837626,0.0125868468894214,-5.424618891707555,-0.8954426521019968,1.6532196241718748,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1865,14.276532726436288,15.13584948156801,15.906987406525104,16.600619606127623,17.225922895818726,17.790789200654803,18.30202815603576,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM1865_140,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.067676600746921,0.3759595285375172,1.2297559486590095,2.7799074105156563,4.393924399221183,5.481968374150421,6.054683152425623,6.3221585612121824,6.4224259110432325,2.205139716970684,0.2761482460648669,0.0045518321531621,7.472671612256008,2.0868181510466,4.832411746901197,0.3190471486602496,5.230753008751059,11.55324779003998,0.4309949074346836,1.9922443326239443,0.6798299981641308,15.534080675442134,3.422323143207814,7.869210947660942,0.355648379107032,-1.9922443326239443,-0.6798299981641308,12.896952183974332,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1865,14.373565822493427,15.204090496488073,15.95133004179197,16.624923478666755,17.233417201992083,17.784263634647253,18.283920814871948,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM1865_141,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0707139747318277,0.3860160445710513,1.4076842896958084,3.360922898747216,5.332109664372058,6.625786231577302,7.297778049305204,7.609788569324935,7.726470448213927,2.641403662074832,0.28077959173305,0.0050749434513576,9.8005874416476,3.274832899528746,5.9078356295550085,0.620926205554539,6.778997673749225,14.790667007141254,0.6726553332126295,6.454837205122844,1.0346894900617918,24.83346574363787,0.6044652059686098,1.7820524055039488,-0.0014314350564627,-6.454837205122844,-1.0346894900617918,1.2404288542196418,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1865,15.11827811398767,15.884739648403515,16.563507328455376,17.169761850913083,17.714998679300518,18.208057535062004,18.65586294440439,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM1865_142,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0653529653688888,0.3562461424743368,1.204498022448252,2.83985447306825,4.591558152810199,5.782655857854083,6.4111442873646265,6.704892707814756,6.8150378120713615,2.2250443711574244,0.2616735387010422,0.0043715178658269,7.920560925313,2.121896834767427,5.0413605620269655,0.2509764555568637,6.727893190435384,14.737132981912591,0.6728561524560274,5.926735867721637,0.9439790399855864,23.81780850254321,1.2749388055624544,3.225805457249714,0.0546740289983214,-5.926735867721637,-0.9439790399855864,2.1814341815235005,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1865,14.83548819376434,15.679964736841535,16.435940099162334,17.11484341171197,17.725853110974345,18.27664114936864,18.773803600321585,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM1865_143,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0794291107984608,0.3710328801718828,1.167445796799947,2.621591127072233,4.072831105685893,5.020901194318253,5.512315688441167,5.7402652301621,5.825477400907848,2.0889021756662616,0.2805291171598095,0.006490325625321,7.14566689205619,1.954998476140856,4.496254576167494,0.1589442431136069,4.4457274206558335,9.47148045635555,0.5171938596137688,7.870000053824001,0.9108469710758748,21.095783422041897,-3.522661458166209,-7.399591771477589,-0.433278772114712,-7.870000053824001,-0.9108469710758748,-12.170758688454937,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1865,15.227809726076844,15.94725346731184,16.5909326977612,17.1713592069131,17.697888732432897,18.17767460389512,18.616324806637,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM1865_144,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0749047050796703,0.3859381874949139,1.3178549700085158,2.958887809043675,4.578846534947015,5.647289526063732,6.205812851098021,6.466068812131394,6.563552818727918,2.3636737377395045,0.2838445961251685,0.0057446683109258,7.463481065477288,2.515670676509859,4.676521550790934,0.4249428557840483,6.168864715298152,13.239258477164697,0.7552414919020447,10.653224369199847,1.1343704658270102,28.370532306167465,-4.153182939479175,-8.714914136300763,-0.5719976941003196,-10.653224369199847,-1.1343704658270102,-18.082839203915288,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1865,15.4187455173612,16.138575518620865,16.77506617393813,17.34329980233884,17.85463931373636,18.31775163053868,18.7393418011007,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM1865_145,RSM1865.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0601170531915475,0.3625398595296072,1.2626985436383662,2.9903766908847627,4.845283633168142,6.113881809216677,6.785893240593309,7.100602370989958,7.218707400053367,2.3412710418964817,0.2623266719157379,0.0035738891453319,8.424421787380096,2.4637194181695903,5.3134566127250205,0.3622273913446141,6.225924566525896,13.659685877440436,0.5532347145956752,4.007877302499503,0.8986680420996425,20.577506686666045,2.372095996851721,5.639196587647053,0.2284035184386536,-4.007877302499503,-0.8986680420996425,9.208414821170289,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM1865,14.165989488419584,15.063511900973229,15.86950456228998,16.593969097944083,17.24583969283488,17.83307089552943,18.362732492975308,[N]1C=NN=C1.[O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O.[Zn].cat0,"linker [N]1C=NN=C1, [O-]C(=O)c1cc(cc(c1C(=O)[O-])C(=O)[O-])N(=O)=O, nodes [Zn], topology "
RSM0229_0,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0039862410227529,0.1686867430327593,0.9844216235112716,2.559549169143849,4.214503577910832,5.334647981560232,5.925347354463861,6.201444565953056,6.304978134289149,1.9729921741551268,0.0945176889310157,4.874044591234834e-06,6.299412671094145,1.9606286303681373,3.96027843232984,0.3050673958012928,17.745209087622595,40.53461246124724,2.106458441088942,8.680624676733173,1.7579915330497111,76.72604543811298,-17.745209087622595,-40.53461246124724,-2.106458441088942,7.403123383665864,1.7579915330497111,-76.72604543811298,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM0229,20.02634947082004,20.431466018965928,20.75699024513421,21.021795058460206,21.2396505856546,21.42074273169825,21.572706283707,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_1,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0039868099364761,0.1686945402669011,0.9844331387745102,2.559547123741824,4.214487943184995,5.3346253700757735,5.9253217270507,6.201417670844681,6.3049507859072405,1.972995654667968,0.0945232549089943,4.875998357261352e-06,6.2993626921579535,1.960635968138724,3.960245851473351,0.3050821090138833,17.745222653870723,40.53464151522812,2.106460379124389,8.680618862626835,1.757989129885758,76.7261132693536,-17.745222653870723,-40.53464151522812,-2.106460379124389,7.403094313134165,1.757989129885758,-76.7261132693536,-17.0,-38.938645,-2.0,9.0,1.89,-73.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM0229,20.026403329802424,20.43151135496358,20.757028984974763,21.02182856625959,21.239679862236468,21.42076853232285,21.572729191330577,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_2,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0585942480498336,0.5891545433397067,1.913622531712056,3.876045531203883,5.74480919577623,6.964822570033628,7.599615710424546,7.894770324170946,8.005224431476183,3.179050029849233,0.4083336212733464,0.0010744649671935,10.543285243668333,5.3140813981367145,5.791230467758677,1.1558472268775342,7.949566282087719,16.944208166271302,1.0737904109462164,1.959275342300816,0.9658000249951204,41.41749735579655,-7.949566282087719,-16.944208166271302,-1.0737904109462164,-0.5398895696574529,0.9658000249951204,-41.41749735579655,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0229,11.071423930532754,12.022579124616332,12.910818852416655,13.73479604776995,14.494896265467268,15.192961048553832,15.831914376999489,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_3,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0585374838601863,0.5889434590702007,1.9134936760474304,3.8753765203611614,5.742276393186391,6.960487368030065,7.594196686984027,7.888817611508501,7.999067445388225,3.1787412992988604,0.4081481302573778,0.0010721125746196,10.53446626923891,5.31180353251407,5.7850182525386975,1.155718133045132,7.950641565257801,16.94667372577641,1.0741018225861192,1.963323693619548,0.965905420809252,41.43391975473933,-7.950641565257801,-16.94667372577641,-1.0741018225861192,-0.5434561459467532,0.965905420809252,-41.43391975473933,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0229,11.085464768832168,12.033113452620515,12.919170512209188,13.74182194575767,14.5011327917204,15.198732369449475,15.837408453278238,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_4,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0585901622576994,0.5891414486367218,1.913611325765468,3.876054917635328,5.74484223506303,6.964870667228618,7.599671358667451,7.894829409540329,8.005284790772546,3.179051046311688,0.4083220964209423,0.0010742537881961,10.54339121290865,5.314067088183709,5.791312101251821,1.155831238313736,7.949547382875279,16.944167593997687,1.0737876169584937,1.9592390204604164,0.9658031964176772,41.41739627271818,-7.949547382875279,-16.944167593997687,-1.0737876169584937,-0.5398483185432259,0.9658031964176772,-41.41739627271818,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0229,11.07141217490948,12.022565233426937,12.910803959942015,13.734780893662233,14.494881317460106,15.192946590043071,15.83190056840598,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_5,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.058549516170789,0.5889722886889126,1.9134999553214809,3.875347029242852,5.742219882700167,6.960415549022479,7.59411740825585,7.888734961326021,7.998983548011266,3.178723483802131,0.4081764498815308,0.0010726928571016,10.53421237795988,5.311767433187488,5.784864171404539,1.155733510363541,7.950611996637082,16.946613862840398,1.0741009566805686,1.9633124368473929,0.9659169552725644,41.43400698445439,-7.950611996637082,-16.946613862840398,-1.0741009566805686,-0.5434196500816324,0.9659169552725644,-41.43400698445439,-7.0,-14.974362,-1.0,1.0,1.25,-31.0,-14.0,-29.965822,-2.0,-14.0,0.0100000000000002,-76.0,RSM0229,11.085480038573149,12.033126659918816,12.919181835492704,13.741831558182422,14.501140875076274,15.198739108410503,15.837414026566186,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_6,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.196168524963017,0.6209203641449748,1.482108269668684,3.0688917581539976,4.849093952529741,6.099158090851949,6.769092912018557,7.0843748919308585,7.202929488929928,2.464211533213528,0.502757095501252,0.0355434645169624,8.343977009777998,3.074247085221218,5.108522779522552,0.9248706043439296,5.440165358740277,11.71484919835123,0.7833256640869232,10.602885734979282,0.822244884533546,28.08978371903279,5.440165358740277,11.71484919835123,0.7833256640869232,10.602885734979282,0.7965486610699434,28.08978371903279,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0229,3.373419998667428,4.115153445458429,4.863714737952724,5.602299058409664,6.319106254970454,7.006559033545781,7.660433937901302,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_7,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1459754892777531,0.6209187577981454,1.659396389449664,3.333190729111552,5.121646325697804,6.370609331534352,7.040937337921744,7.356837674490756,7.475706412490503,2.713247832344249,0.4756882097233192,0.0188814719191314,10.660812575560062,2.825566805957896,6.574914111232843,0.2678387109261155,1.8526677214058385,4.066340289752946,0.3602995311075665,4.735063970266372,0.1488755151989106,15.95762857050047,1.8526677214058385,4.066340289752946,0.3602995311075665,4.735063970266372,0.1488755151989106,15.95762857050047,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0229,5.158579927854791,5.546882932563189,5.963489919702702,6.402451467454636,6.85671477887756,7.319374473882832,7.784382272005736,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_8,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1476618512395826,0.6274272587661829,1.8193448487118733,3.9085376672328,6.03429886529409,7.446824707454801,8.185328807460298,8.529226538765526,8.657989095337282,3.140160373277032,0.4789184309587825,0.0192748095440331,13.29617448354266,4.227633754476784,7.957080883779243,0.6882288303365944,3.622170300652242,7.861743928242793,0.5953995389497226,7.666215475431329,0.4015392760953385,23.85527045048728,3.622170300652242,7.861743928242793,0.5953995389497226,7.666215475431329,0.3903983339193285,23.85527045048728,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0229,5.052233420018943,5.449561371048256,5.872865943506107,6.3168782937264485,6.77503097144351,7.240749328418802,7.708201392351258,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_9,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1466539531278948,0.6919171469576744,1.8909884625123112,3.708167684183642,5.5346990281136055,6.770071093218459,7.424014645462392,7.730414707613072,7.845440863127353,3.0508162982006057,0.5215330920576587,0.0177203533208277,11.46091331154149,3.734075489770641,7.226603852549104,1.0560279874219387,1.982119736972198,4.298604759265978,0.3351706208819267,4.663484704027611,0.2535983687990154,13.551344776873878,1.982119736972198,4.298604759265978,0.3351706208819267,4.663484704027611,0.2535983687990154,13.551344776873878,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0229,5.702065783078862,6.0876361129023735,6.499903912228127,6.932787427964843,7.379346975292225,7.832975267369703,8.28802771006632,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_10,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406752184909414,0.4896400481762274,1.3358158942307483,2.806092734461588,4.295864395158499,5.291798943896991,5.814932434300156,6.059115944863439,6.1506369114261,2.2679298044373883,0.3867098531301985,0.0201056945956594,9.063370363182887,2.165139196449441,5.89242801263956,0.1901537003844836,4.760600264387427,10.35787173638988,0.7075551713165414,8.442792559133803,0.5802255684966031,26.5692493993452,4.760600264387427,10.35787173638988,0.7075551713165414,8.442792559133803,0.5214515154556012,26.5692493993452,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0229,3.1635926469165203,3.807269739746449,4.47530372647581,5.151179686542278,5.82165970838165,6.476949706152716,7.110389688341652,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_11,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1962434100723387,0.6220398249675877,1.4858338104151734,3.0762978942484795,4.859195822971121,6.110584799842278,6.781090591122332,7.096613028513765,7.215253721860575,2.470394111570726,0.503537578730847,0.0355099905206018,8.37105246640037,3.090428256805266,5.123188424913379,0.9287272377261367,5.433719901937537,11.700686115464912,0.7816036487211561,10.577481785143066,0.822130813207131,28.003765530151,5.433719901937537,11.700686115464912,0.7816036487211561,10.577481785143066,0.7962328287308276,28.003765530151,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0229,3.366394521836382,4.106241564608911,4.853422860340636,5.591056303672048,6.307266631886559,6.99440995294658,7.648206475556054,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_12,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.146026707901585,0.6210870448801262,1.663428196836284,3.3502523876699755,5.1513930138780895,6.407586603918578,7.081312197336404,7.398709201835741,7.518124741410149,2.7253458466320724,0.475785242920874,0.0188955397881944,10.74739333331634,2.85691614471919,6.629655834439288,0.2756191882417382,1.866417436972737,4.097429657860385,0.363856841770503,4.7772721711367625,0.1483241811331749,16.137891739071524,1.866417436972737,4.097429657860385,0.363856841770503,4.7772721711367625,0.1483241811331749,16.137891739071524,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0229,5.149520679601334,5.538943214278664,5.956440636859223,6.396124522584166,6.850985014540097,7.314147445387149,7.779585764532622,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_13,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1476875814819127,0.6273040384221602,1.819691923936464,3.912925976481064,6.042985351881195,7.457866455492142,8.197410059292872,8.541745953672866,8.670665065374079,3.142909182869513,0.4788778363034715,0.0192797229408608,13.332240711114828,4.240250968917476,7.975172211298692,0.6855813904319997,3.629699571956892,7.879179404249803,0.5961789868498256,7.657789338903802,0.4011320773368567,23.881729590686707,3.629699571956892,7.879179404249803,0.5961789868498256,7.657789338903802,0.389285575847652,23.881729590686707,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0229,5.047396490090356,5.445630582043237,5.8696410402729455,6.314209702695478,6.772804745703112,7.238877147067073,7.706613760342109,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_14,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1464596244518746,0.6901698612060906,1.8874546483622827,3.7070319974788526,5.5402003839928815,6.7813701886486415,7.438655325189662,7.74667181727503,7.862312253865352,3.048180220490203,0.520242295787475,0.0177187207487326,11.47011895828764,3.729485989601322,7.226222397465256,1.0483128923625342,1.9853508707898309,4.30539530433803,0.3355067314364844,4.6694047222817066,0.2544060160580664,13.558716846604751,1.9853508707898309,4.30539530433803,0.3355067314364844,4.6694047222817066,0.2544060160580664,13.558716846604751,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0229,5.6908227192090335,6.0775378654187335,6.490718969255154,6.924357151514373,7.3715597769942836,7.825750016246314,8.281303119997167,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_15,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140684747369703,0.4896196994779482,1.3343700899159538,2.798981166391048,4.281952513518193,5.273441810300311,5.794332772208968,6.037495016991398,6.128637566380919,2.2631394866982286,0.3867157500937558,0.020108408208913,9.014395238131316,2.1480825782910133,5.8678238336010935,0.1892380718892412,4.72077239459435,10.268397779060294,0.7036519085420104,8.45479379256081,0.5784349303947215,26.459460531828835,4.72077239459435,10.268397779060294,0.7036519085420104,8.45479379256081,0.5222897030232618,26.459460531828835,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0229,3.163676152641667,3.807221857295977,4.4751491268796375,5.1509397916826085,5.821353120297806,6.476592414667447,7.10999524467307,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_16,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1961841073219388,0.6209506588482289,1.4821309395226931,3.06890179018378,4.849097925409218,6.099159439292475,6.769093128909778,7.084374624954393,7.20292904710353,2.4642250158960377,0.5027854449382624,0.0355481535275021,8.343954081212006,3.074275638100429,5.108500299278447,0.9248717907897788,5.439968558316321,11.714425487209049,0.783299052490122,10.602557354900686,0.822217090240898,28.08887152963876,5.439968558316321,11.714425487209049,0.783299052490122,10.602557354900686,0.7965225692760204,28.08887152963876,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0229,3.373411446716359,4.115144208152346,4.863704969442751,5.602288916569312,6.319095895842548,7.006548606801702,7.660423583702678,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_17,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1460537424031328,0.6210569931459167,1.6595519041478466,3.333320692786038,5.121751712587197,6.370702822923716,7.0410259040093255,7.356924222559219,7.475792247818629,2.713388213956838,0.4758161055953893,0.0189021133421423,10.661154870012435,2.825845998838096,6.5750046906162485,0.2678960393811307,1.8527549480267749,4.066532229308157,0.3603169694871617,4.735290703924068,0.1488816340834865,15.958413123967444,1.8527549480267749,4.066532229308157,0.3603169694871617,4.735290703924068,0.1488816340834865,15.958413123967444,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0229,5.158306979766612,5.546601960659121,5.963201599986699,6.402157524485199,6.856417577804757,7.319076698208256,7.784086689176524,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_18,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.147684755910302,0.6274755879629311,1.819393482828373,3.9085696915483874,6.034317254609317,7.446835751272203,8.185336408742364,8.529232613549008,8.657994609936601,3.1401982777507853,0.4789625022609565,0.0192803091983534,13.29625438007908,4.227721552126178,7.957167139308268,0.6882818279775318,3.622006689731432,7.861394630850678,0.5953768475059542,7.665917944382926,0.4015166028715402,23.854482506447617,3.622006689731432,7.861394630850678,0.5953768475059542,7.665917944382926,0.3903755778819622,23.854482506447617,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0229,5.052776209004147,5.450120947386971,5.873438028006916,6.317457933739077,6.775613016589074,7.241328786493182,7.708773658295951,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_19,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1466518470800627,0.6919236061929017,1.891000979111859,3.708180012120184,5.53471080334406,6.770082537254254,7.42402589651699,7.730425860090656,7.845451976982677,3.0508288523356786,0.5215370695518,0.0177193910991534,11.461010363216047,3.7340994399897625,7.226667414728572,1.055994933070867,1.9821606833920744,4.298694854865308,0.3351788013135899,4.663591093900794,0.2536012516464917,13.551712674990926,1.9821606833920744,4.298694854865308,0.3351788013135899,4.663591093900794,0.2536012516464917,13.551712674990926,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0229,5.701821168776892,6.087391708367973,6.499661254333086,6.9325482366435365,7.379112959858803,7.832748016638948,8.287808637806048,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_20,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407619528292457,0.4897593820940532,1.335925291027705,2.806205051134798,4.295989799025046,5.29193358935665,5.815071682037998,6.059257256783654,6.15077898202329,2.268038906613174,0.3868279818449194,0.0201304268668232,9.063664179492402,2.1652932661004938,5.892559186097574,0.1901856316901016,4.760423593098508,10.357471921819434,0.7075337881853074,8.442839566867134,0.5802301769779794,26.568468636014103,4.760423593098508,10.357471921819434,0.7075337881853074,8.442839566867134,0.5214673023777034,26.568468636014103,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0229,3.1636086623582265,3.807288055748268,4.475324019886198,5.151201548916656,5.821682719703569,6.476973476807971,7.110413879035873,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_21,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1962264754120605,0.6219952751474268,1.4857638763491785,3.0762073584212084,4.859086793376709,6.110463327844124,6.7809625199292975,7.096481861768783,7.215121392445114,2.47031045767644,0.5034996349810925,0.0355052886144891,8.37082541164301,3.0901737481398657,5.123143389329335,0.9286117290015384,5.433679432762316,11.700608004979571,0.781594841331163,10.57738890942535,0.8221401378426347,28.003353283450064,5.433679432762316,11.700608004979571,0.781594841331163,10.57738890942535,0.7962373553486466,28.003353283450064,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0229,3.366376209082387,4.106222558692863,4.853402562680815,5.591034485253136,6.307243314783856,6.994385306000625,7.648180736639162,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_22,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1459992863748284,0.6210726301540962,1.6634466743606449,3.350291904922251,5.151449303067205,6.40765416719217,7.081385727625983,7.398785523808172,7.518202110396523,2.725378939213107,0.4757639749896454,0.0188871361262119,10.74773018279346,2.856983338385189,6.629863154654604,0.275619726891092,1.8663793527268395,4.097343239472957,0.3638466914600098,4.777152884406919,0.1483262654759251,16.137371638566492,1.8663793527268395,4.097343239472957,0.3638466914600098,4.777152884406919,0.1483262654759251,16.137371638566492,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0229,5.149230251494651,5.538652029839644,5.956149885220506,6.3958358498967405,6.850700278797312,7.313868547573887,7.779314540646033,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_23,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1477187398636868,0.6273758657817463,1.8197766628278675,3.91299719642295,6.043047663311398,7.457926819959841,8.19747053914911,8.541806733643027,8.670725996569248,3.142985366367584,0.4789414033809139,0.0192871906782006,13.332544739292183,4.240385331099995,7.975303352337997,0.6856225501964697,3.629490353409989,7.878720190878615,0.5961502642993951,7.657599026071055,0.4011225333401849,23.88066244446976,3.629490353409989,7.878720190878615,0.5961502642993951,7.657599026071055,0.3892815562202764,23.88066244446976,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0229,5.047415243044828,5.445651020210945,5.869662330379672,6.314231263153278,6.77282615235587,7.238898072575802,7.706633936655501,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_24,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1464929706030558,0.6902308801798913,1.8875295298495465,3.707102888370432,5.540257711664588,6.781416244966503,7.438695041881077,7.746708499096875,7.8623477872078436,3.048254265931496,0.5202982815230303,0.0177272054662156,11.470408033985429,3.7296517210428046,7.226363657171922,1.0483922522854483,1.9853853245978887,4.305469327191843,0.3355118816306756,4.669480377643294,0.2544116913885436,13.55890509115785,1.9853853245978887,4.305469327191843,0.3355118816306756,4.669480377643294,0.2544116913885436,13.55890509115785,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0229,5.691076222396236,6.077796223849583,6.490980476740308,6.924619786121797,7.371821369399626,7.826008391732406,8.281556202884879,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_25,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407211320101896,0.4896595831138455,1.3343725008789753,2.7989488519884467,4.281905649116213,5.273391068657907,5.794281211308785,6.037443303520399,6.128585829806392,2.2631165763967256,0.3867594276061882,0.0201188639836305,9.014096069228884,2.148010304718321,5.86763659889792,0.18923270198816,4.7207296818899644,10.268306091100404,0.703643210944553,8.454570545640781,0.57841688150073,26.45910879629971,4.7207296818899644,10.268306091100404,0.703643210944553,8.454570545640781,0.5222704480030165,26.45910879629971,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0229,3.16373733995467,3.8072911505262463,4.47522471683122,5.151019911016,5.821436174146394,6.47667703840106,7.110080315756036,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_26,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4260173006203861,1.390199093271282,2.6482249064654746,4.296362396234445,5.999994743019563,7.190698898141925,7.831725354530064,8.134350591983937,8.248314052505297,3.69978675113339,1.1500759723025489,0.0562617685378821,10.80220800399846,7.275480300831385,5.426096558601688,1.896581580425924,3.679691018928162,8.095967945265878,0.7345963294890395,9.556461654840476,0.2600943856310829,33.09038168442161,-3.666272275962232,-8.069206275231775,-0.7345963294890395,-9.543042911874547,-0.2541230450112442,-33.09038168442161,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0229,12.605898790119424,13.25667203083376,13.868669185987867,14.444069231664727,14.984003501620156,15.489391047199277,15.96131448238808,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_27,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0993447776331661,0.7515012095080914,2.3559468029003416,4.650051455903676,6.7479737817436005,8.089030743413323,8.779972733058768,9.09982606231897,9.21930504106263,3.8487404174950792,0.5349626469839208,0.0034793096233742,15.41569372977969,7.053241093306692,9.035780140432252,1.9427036599005,1.7315772563078038,3.809901091961762,0.3458065303384973,4.498029499015782,0.1221646346722898,15.574016888308964,-1.7264880470771702,-3.799751427532649,-0.3458065303384973,-4.492940289785149,-0.119899936564658,-15.574016888308964,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0229,7.867278710175722,8.631837713015273,9.38128533527868,10.115630646001206,10.832802148861036,11.529753510416937,12.20330431917896,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_28,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0789227438953913,0.5933841542354005,2.0340667705265787,4.441808822125428,6.739419492401317,8.209791358410861,8.964940202927176,9.313820415714355,9.444023698634624,3.577326795592448,0.4208652387413346,0.0028976804738843,15.701784055077914,6.172834163318388,9.446238498021362,1.4373515565403738,3.0950081871154302,6.622460721415003,0.4394979378082189,3.620583063257522,0.2224060555889011,17.910381360803758,0.5690342004855278,1.0639236131885996,-0.0656968595177615,-2.946949301980223,-0.0889805116597564,-6.322547933799577,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0229,7.563991653994285,8.43831467426919,9.29439972603253,10.126081500420227,10.928205707344846,11.69675167834212,12.428871351841542,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_29,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2159939805895312,0.8913978438424254,2.153739968718933,4.099407151078719,6.017965930800726,7.287019293145637,7.950556542691719,8.259668380278889,8.375432383596003,3.396928240612116,0.7022397660998245,0.0231656722274681,12.620747869198444,5.817972734077664,7.412914913803586,1.6745420847422423,2.401747869097687,5.285171076838653,0.4803495738195373,6.244544459653986,0.1681223508368379,21.615730821879183,-2.401747869097687,-5.285171076838653,-0.4803495738195373,-6.244544459653986,-0.1681223508368379,-21.615730821879183,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0229,9.115454264215533,9.932856107619331,10.718191727351726,11.468914863993884,12.183307008950218,12.8604060220375,13.499927191665188,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_30,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4260665780986819,1.3901558869572832,2.647976811536944,4.298632060705621,6.006513696754595,7.200155302144952,7.842668629728564,8.145968746628668,8.260181703148596,3.7008020749429305,1.1500818961066297,0.0562799447527853,10.820971364934804,7.278607898287857,5.43463542780243,1.8958741945945337,3.679796273895501,8.096184126106966,0.7346024066337604,9.556615526965585,0.2601298294451969,33.091029502152715,-3.666227792442104,-8.069123825120382,-0.7346024066337604,-9.543047045512187,-0.2540918551984348,-33.091029502152715,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0229,12.602944795529783,13.253820656660684,13.86596617029262,14.4415291353589,14.981624992160157,15.487165226161329,15.959229381232738,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_31,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.099339629134251,0.7514216364907534,2.3540080317552934,4.640284285249395,6.729212081249755,8.064664340459965,8.752860395793494,9.071481477226651,9.190506793606332,3.842158980312652,0.5349197710889365,0.0034794968840976,15.340107467832503,7.021285939608461,8.999856697925031,1.939565410340521,1.7256455506300452,3.796872696965692,0.3446440801414741,4.482798191761838,0.1217046197651061,15.521109355979709,-1.7207952507846955,-3.787199501469119,-0.3446440801414741,-4.477947891916488,-0.1195462363339254,-15.521109355979709,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0229,7.8620969188152765,8.627087718590072,9.376959797009848,10.1116991199411,10.829225566254436,11.526491801343973,12.200320043944371,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_32,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0789321324765465,0.5933588201018185,2.032210856013112,4.433299171987271,6.72307313787253,8.188114230604874,8.940469905538233,9.288050177673217,9.417766978550668,3.5714861757240004,0.4208745842770269,0.0028983621638579,15.632953184413829,6.143358440225532,9.416270162051925,1.435504568284874,3.08263154986692,6.596373741443489,0.4381210066533159,3.612160039881333,0.2211361505354716,17.85276881057517,0.5610712103413316,1.0475490931797773,-0.0661910612518016,-2.9438968428851964,-0.0892678535758644,-6.322940503128231,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0229,7.564474427288547,8.439117015100559,9.295523871268248,10.12749608639816,10.92986375198858,11.698601861037998,12.430864423871345,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_33,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160008089261222,0.8912842856748487,2.150464407722836,4.086696186689014,5.996015024445119,7.259581941470681,7.920452176942503,8.22836623930397,8.343688727482382,3.387776081976526,0.7022099159374992,0.0231681765455632,12.541195784130254,5.773357410448892,7.379719989665715,1.669182225608581,2.3963889714270965,5.27337854385184,0.4792777942854192,6.230611325710451,0.1677472279998966,21.567500742843865,-2.3963889714270965,-5.27337854385184,-0.4792777942854192,-6.230611325710451,-0.1677472279998966,-21.567500742843865,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0229,9.117348793067542,9.934724905343696,10.720070834945542,11.470816918706523,12.185231278299428,12.862344737761074,13.501869497584408,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_34,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4260941792630851,1.3902708338427057,2.648241205183093,4.296338280878884,5.999956655946045,7.190657910886601,7.83168407843434,8.134309406574593,8.248272934100346,3.699772744030142,1.1501559139696298,0.0562861751892913,10.801988337992965,7.275488808504301,5.425931876697361,1.8965951880356329,3.679867047163302,8.09635807780975,0.734634224982899,9.556940847026494,0.2601016641447334,33.092019735474494,-3.666475202665688,-8.069650052735934,-0.734634224982899,-9.543549002528882,-0.2541422933432954,-33.092019735474494,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0229,12.605932893529086,13.256702041868468,13.86869582778104,14.444093118233404,14.984025139797758,15.489410853062736,15.961332799804318,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_35,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0993488063339732,0.751501407393281,2.3559368358692137,4.650035372005021,6.747959417793591,8.089020185311146,8.779964768117894,9.099819422777545,9.219298915480785,3.848725410927162,0.5349646307641581,0.0034800015431174,15.415657739633238,7.053183277027784,9.035789926242582,1.9426868919518387,1.7317081174069957,3.8101910165516615,0.3458346016052407,4.498384930248922,0.1221702342362864,15.5752326191398,-1.726637898645412,-3.8000792257644975,-0.3458346016052407,-4.493314711487339,-0.1199139868873818,-15.5752326191398,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0229,7.867276820913894,8.63183878712899,9.381288701856874,10.11563577182945,10.832808614320552,11.529760984733096,12.203312539917786,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_36,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0789098024293742,0.5933541608336389,2.034047780122722,4.44181547481095,6.739444736901185,8.209825692384968,8.9649785222909,9.31386044089264,9.444064340009184,3.5773248562457054,0.4208368534421396,0.0028966090656953,15.701897126224852,6.1728009242847,9.446309074900189,1.4373139110170163,3.095035825607867,6.622524336248165,0.4395061500585706,3.620701753393224,0.2224057614951012,17.91073767475893,0.5689638704491667,1.063771643179777,-0.0657082409731695,-2.9470853300193984,-0.0889865226367519,-6.323002493111501,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0229,7.5640035223472255,8.438326419787844,9.294411814526852,10.12609413124862,10.928218915907117,11.696765406430988,12.428885494000678,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_37,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160498696696461,0.8914263910663695,2.1537202669259496,4.09933453479741,6.017835516056473,7.286849232460336,7.950365815661575,8.259468088622183,8.375228523224829,3.396875253002669,0.7022787538621981,0.0231879662206081,12.620225438070898,5.817895971888033,7.4125615330034655,1.674562351336111,2.4018421068963383,5.285378452014952,0.4803684213792677,6.24478947793048,0.1681289474827435,21.61657896206705,-2.4018421068963383,-5.285378452014952,-0.4803684213792677,-6.24478947793048,-0.1681289474827435,-21.61657896206705,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0229,9.115490359236682,9.932889072491015,10.71822194420955,11.468942615501074,12.183332528494818,12.86042951477763,13.499948842710296,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_38,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4260988861695735,1.3902140692018057,2.648059219120813,4.298726452353193,6.006595470611716,7.200222388650595,7.842726994315665,8.146022887679061,8.260234241438836,3.7008959866420383,1.1501356259538174,0.0562876186242815,10.821300940330216,7.278978402885271,5.4347894170283695,1.895990803605736,3.679722980384497,8.096019896010002,0.7345848925618377,9.556402120879197,0.2601300527176554,33.09031275315924,-3.6661259452338792,-8.068902648957367,-0.7345848925618377,-9.54280508572858,-0.2540793720756304,-33.09031275315924,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0229,12.602973992081235,13.253842959639371,13.865983236032712,14.441542191881563,14.981634954084171,15.48717277871672,15.959235041513972,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_39,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0993621093251192,0.7514967980996735,2.354099269929511,4.640346522536475,6.729241832381588,8.064674136668492,8.752860315226897,9.07147692219896,9.190500583102189,3.8422331885722527,0.534984141010622,0.0034810807145046,15.340230837807312,7.0215841822645695,8.99992307937585,1.9397307460788409,1.7256963392682696,3.796982779714161,0.3446526081167858,4.482917204202557,0.1217112307554063,15.521533858677069,-1.7208297418995893,-3.787277081251933,-0.3446526081167858,-4.478050606833875,-0.1195455949263435,-15.521533858677069,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0229,7.86210445168205,8.62709189872574,9.376960816844964,10.111697267378071,10.829221178338935,11.5264852317613,12.2003116406915,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_40,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0789303060983732,0.59334579094692,2.0321993420019577,4.4332862371138,6.723058414337286,8.188099710102792,8.940455900119304,9.288036496021686,9.417753430854132,3.571474252195564,0.4208634250282751,0.0028983844029511,15.633083505035431,6.143276990465789,9.416397370425788,1.43548575064607,3.082596917729485,6.596312898875546,0.4381287377222327,3.612426092168736,0.2211326646986004,17.853257797497534,0.560809995093789,1.0469896426957197,-0.0662286468049064,-2.944219906684074,-0.0892764526161355,-6.324354979060415,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0229,7.564498543685514,8.43913889499329,9.295543504193915,10.127513542663989,10.929879156807347,11.69861537249177,12.430876215738843,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_41,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160209863466073,0.8912807269284465,2.150411722650181,4.08660033753112,5.995891974777069,7.259444265923475,7.920307458601186,8.228218346040409,8.343539660389988,3.3876930304982142,0.7022147808651208,0.0231773315512622,12.540653339429465,5.773138703944458,7.379402674455403,1.669130821204533,2.396461751014344,5.273538699118117,0.4792923502028687,6.230800552637294,0.1677523225710039,21.56815575912909,-2.396461751014344,-5.273538699118117,-0.4792923502028687,-6.230800552637294,-0.1677523225710039,-21.56815575912909,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0229,9.117317254669794,9.934697933924497,10.720048073900337,11.470797949922169,12.185215664190988,12.86233205006963,13.501859334840397,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_42,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0303886553677133,0.3480303291651341,1.3929020341334604,3.2389479602866134,5.092792856344127,6.319136326256573,6.959419962234755,7.257436175155517,7.368999832904664,2.5640283292529658,0.2320135057709719,0.0005172897831691,9.11605933133952,3.1853126157099734,5.583742225329089,0.6838987200433903,6.759591201242371,14.867914568276188,0.8893474149141786,7.786303294548609,1.0359637017391403,32.86282833722244,0.9188667530306877,2.3760052782817973,0.0712559447020412,-7.786303294548609,-1.0359637017391403,4.229626879797629,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0229,14.33768087175752,15.223083054372111,16.013164097458525,16.720360182360515,17.354569908609747,17.924046842002063,18.43591785358741,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_43,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0215653937704689,0.2436735306862358,1.0775510452345065,2.630524468290028,4.1969610030938975,5.2332358380420345,5.774375725265182,6.026282357494009,6.120591633570621,2.060645270522105,0.1600713923135856,0.0004372836781646,7.1760413825017295,2.137437362541949,4.359539892059019,0.2985940321658204,6.9311105137156535,15.321558607854875,0.9086104948925916,8.253095240927545,1.016847559683284,32.98035038505551,0.911116473369976,2.429575241477141,0.0492509813919166,-8.253095240927545,-1.016847559683284,2.9027674125318788,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0229,14.458124728562671,15.316294809405834,16.08532110793441,16.776067764177757,17.39734786571687,17.956630161224396,18.460452817008377,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_44,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1998769878350123,0.6277506089400074,1.509687987345351,3.1800512099907072,5.000568931812352,6.249517030721011,6.911177363587626,7.220968674351244,7.337211929072516,2.547766098934236,0.5108665138537564,0.0356463482844402,9.16736529247551,3.3342926305518183,5.514713429045703,0.6839696158619593,6.158348354629895,13.299840069650438,0.8511032569357397,10.022460809382585,1.0535637484422105,30.984470192455976,-2.7338243778034457,-5.727270144596876,-0.4030121496256659,-10.022460809382585,-1.0535637484422105,-12.909569037193226,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0229,15.59685212840892,16.356120634600163,17.034045434785526,17.639444968298076,18.18006888373068,18.662958041578843,19.094558039284728,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_45,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0301860015752302,0.3467372794902988,1.3890608437631935,3.2327196833834915,5.086205940397616,6.313073285026415,6.953816246714687,7.252084267616101,7.363748036207494,2.5583876694082908,0.2310597715917815,0.0005120706594551,9.095374960834464,3.170332275047992,5.575198014598144,0.6792158680980576,6.767784274769938,14.886037633372151,0.8905599553059541,7.802043323456551,1.036991073390678,32.90073974198154,0.9146115243987836,2.367224085027244,0.0704529983974889,-7.802043323456551,-1.036991073390678,4.196996250185256,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0229,14.635123567366556,15.488611764333506,16.2520963675954,16.936750081955516,17.55157498194078,18.10418313232492,18.601234368612463,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_46,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0215549292222461,0.2437502534795126,1.0778081219138698,2.6286575972381807,4.1915107462516366,5.225243536446968,5.76506801291106,6.0163700682133,6.110454550708674,2.0598276334397294,0.1600991839258685,0.000436653642694,7.164998488619273,2.1344131441215857,4.35228427330248,0.2981096816845704,6.950975910492417,15.368432369282957,0.910681446765942,8.251664466977708,1.0184893346889303,33.05755202984002,0.946324396334522,2.509367771880169,0.0535725437077899,-8.251664466977708,-1.0184893346889303,3.0587404228047057,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0229,14.620822021572469,15.463947009778604,16.220151262762954,16.899761748580236,17.51122983322189,18.061775439482027,18.55776016159952,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_47,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1997786525273792,0.6278405904188914,1.5121002140366837,3.1855965193716496,5.007219610695651,6.256230613418931,6.917787904577912,7.227506620473413,7.343719138248283,2.5524520992781023,0.5108287187270182,0.0356091658139577,9.189298397379964,3.346324275145382,5.526025437096019,0.6870117848565523,6.156543279623583,13.29537525669044,0.8510729194841175,10.02494275590909,1.053357005302653,30.97973281420408,-2.739344225282354,-5.739912806178695,-0.4037886409856958,-10.02494275590909,-1.053357005302653,-12.94042180223939,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0229,15.651501102066346,16.404361883133948,17.076942706318412,17.67782336224001,18.21458721905206,18.69415325395678,19.12287419389859,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_48,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0303849124407691,0.3480264204423346,1.392912395827111,3.238973593101011,5.092831291817052,6.319184393679549,6.959473594535703,7.25749252911985,7.36905722733132,2.5640491843994027,0.2320082126662498,0.0005170395109247,9.116126793395123,3.1853705380340256,5.583795679516269,0.6839104930699333,6.759532712585287,14.867797255258424,0.8893380731316574,7.786172493379627,1.0359493901832246,32.86246832263676,0.9189526746739144,2.3761966350838875,0.0712666465053471,-7.786172493379627,-1.0359493901832246,4.229968390715908,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0229,14.339076695171022,15.224325271413363,16.014273926535445,16.721355843499627,17.35546683738329,17.924858058026004,18.436654341862496,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_49,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0215651887088361,0.2436623306133205,1.0775224912694117,2.630488163422536,4.196919470071805,5.233190074428897,5.774327425228948,6.026232798790396,6.120541590983066,2.0606109510839685,0.1600641249141095,0.0004373075913495,7.176058226154917,2.137383180336901,4.359556299869075,0.2985463241695519,6.930865115872903,15.320985567773723,0.9085835826284782,8.2532001741715,1.016825015385706,32.97930097581178,0.9106077838471436,2.4284381863660203,0.0491863204466011,-8.2532001741715,-1.016825015385706,2.900396799446085,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0229,14.458072166816688,15.316235525189006,16.085259249229274,16.7760058044313,17.397287259262413,17.956571735561564,18.46039701099381,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_50,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1998929886150545,0.6277818343278251,1.5097106498194357,3.1800471561402577,5.000546603557513,6.249485390278006,6.911141319099298,7.2209306475794595,7.3371731687395965,2.5477707558440352,0.5108953807642657,0.0356510779968759,9.167180726477918,3.3342894604105364,5.514592221124315,0.6839927838345653,6.158308308707136,13.299766658209542,0.8510976528186555,10.02215347099916,1.0535485053022335,30.98427247921246,-2.733520220819516,-5.726610319847251,-0.4029723854887439,-10.02215347099916,-1.0535485053022335,-12.90817886154652,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0229,15.596572402005846,16.3558759199352,17.033829886733916,17.639253924958478,18.179898592141768,18.66280545298892,19.094420655771888,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_51,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0301906848359982,0.3467426875830856,1.3890483661954989,3.2326915492805592,5.086171334361606,6.313035880144164,6.953777472914726,7.252044849908667,7.363708374719445,2.5583635710611032,0.2310669332730766,0.0005123463846296,9.095322897732144,3.170242506042865,5.575196770845473,0.679213747826243,6.767516555466529,14.885430230484864,0.8905265885514425,7.8019089543819184,1.0369598112777458,32.899523306858896,0.9143471656837704,2.3666254659086934,0.070421650613959,-7.8019089543819184,-1.0369598112777458,4.195850479046973,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0229,14.635467154274744,15.488905768044672,16.252350470374083,16.93697169614411,17.551769844608327,18.10435573455718,18.60138826614711,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_52,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0215597004804217,0.2437703727537664,1.0778385912566184,2.628686200145925,4.191532720249783,5.2252600246390015,5.765081403767608,6.016381972720884,6.110465892127795,2.059857820203665,0.1601157114822849,0.0004368565095668,7.164940316609825,2.134443516639669,4.3522397170939255,0.2981309684858422,6.950754486569026,15.36796575432216,0.9106497028427808,8.251060718472813,1.0184453230667556,33.05644152596372,0.9467003991851513,2.510178543238769,0.0536241241293257,-8.251060718472813,-1.0184453230667556,3.0605462709928024,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0229,14.620843558809026,15.463956302391129,16.220151417657732,16.899755138573166,17.511218282684915,18.061760352086083,18.557742614380583,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0229_53,RSM0229.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1997684713597939,0.6278386939155937,1.5121324534499836,3.18568127961624,5.007344028268252,6.256376444146925,6.917943807031886,7.227666992365635,7.343881150316886,2.5525194199571204,0.51082331203561,0.0356046226410036,9.189599004204496,3.346534985316559,5.526212260180516,0.6871273100190788,6.156684456073513,13.29567756619857,0.8510914141441186,10.025060822671044,1.0533840475523433,30.98049794305688,-2.739308022284693,-5.739832418970129,-0.4037823367942931,-10.025060822671044,-1.0533840475523433,-12.94008333978753,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM0229,15.651394425893017,16.40426214545308,17.076850688697103,17.677739003633658,18.21451007537926,18.69408273071369,19.122809662012155,Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O.[Mn]pcu.cat0,"linker Cc1cc(c(cc1P(=O)(O)[O])C)P(=O)([O])O, nodes [Mn], topology pcu"
RSM0055_0,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.003009993485447,0.1266779425810087,0.9634290178490676,3.04771006552154,5.418582397640307,7.049153278426075,7.911357033075554,8.314513925260826,8.465697835207305,2.236645577000924,0.0687503147055514,4.870106302253711e-06,9.383536426686636,2.732451505058948,5.815418352029589,0.2981583004734559,18.519758414543027,42.04238544096544,2.071964728320989,7.768100498740937,1.386444306347997,70.43873890975411,-18.519758414543027,-42.04238544096544,-2.071964728320989,6.904523758889069,1.386444306347997,-70.43873890975411,-18.0,-40.931345,-2.0,8.0,1.49,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM0055,19.11119909993373,19.407557448677046,19.64811394875363,19.84543348392045,20.008898608692185,20.145579634424475,20.260856045789705,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_1,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420817088639427,0.4987440742619998,1.535843271608019,3.616616170894501,5.796639190262886,7.251960056779641,8.012999943037688,8.367293170492072,8.499924138598713,2.837960492470865,0.3904975664177899,0.0205211233133624,13.02328917620687,3.691744076497892,8.175999095084778,0.5076663031496085,2.578091128695909,5.648833180844193,0.491770589353474,6.512255843523701,0.2305464154186995,21.533485611263643,2.578091128695909,5.648833180844193,0.491770589353474,6.512255843523701,0.2305464154186995,21.533485611263643,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0055,3.137046283468121,3.820453095742041,4.524612470142394,5.231589570950301,5.927633525851064,6.603029105329568,7.251538047925578,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_2,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417543172731183,0.4859812250917144,1.4005247577515263,3.205924209292096,5.106584136248991,6.378288016812864,7.043740257412272,7.353593042141313,7.469594694746971,2.5292766080803704,0.3845666999033039,0.0204574269148053,12.44593820029412,3.153444541583131,7.795922671234133,0.2308332087316523,2.14998918769954,4.724037244422896,0.4230306482211023,5.53423437346836,0.1651303407084594,18.862199436979463,2.14998918769954,4.724037244422896,0.4230306482211023,5.53423437346836,0.1651303407084594,18.862199436979463,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0055,2.971564381665693,3.666088400548737,4.381276082698041,5.098630352223902,5.804206195641054,6.488277776962335,7.144673364741609,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_3,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418904315878841,0.5220990479140092,1.4726040846752566,3.15472046414091,4.9100892659959685,6.10057273169065,6.729505684122081,7.0237547989300895,7.134141468652466,2.531915520065283,0.4063434019714333,0.0201947492698548,9.639189305025106,2.755958989129498,6.278639846697477,0.6281571484983858,3.402690036112052,7.446384868319484,0.5936400496148896,7.47783584629277,0.3434878763081206,24.83019954394133,3.402690036112052,7.446384868319484,0.5936400496148896,7.47783584629277,0.3226267581471701,24.83019954394133,24.0,53.930105000000005,3.0,14.0,0.8399999999999999,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0055,3.197779821931496,3.7475268014976417,4.32623196282629,4.921451292525953,5.522112563433165,6.119168061778106,6.705744864535584,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_4,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1444326234287654,0.5400416294056919,1.6328424173716507,3.5558944627237463,5.431774175812601,6.647971654235777,7.276818219921027,7.5682594073580445,7.677169890003194,2.859146891395309,0.4166109264493637,0.0208037841260098,13.73773028251946,4.094698686036911,8.412624276408994,0.491716667295463,0.7280572286867407,1.5998546874822797,0.1433889270440232,1.8751686450389269,0.055631295264054,6.396938749647924,0.7280572286867407,1.5998546874822797,0.1433889270440232,1.8751686450389269,0.055631295264054,6.396938749647924,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0055,2.90912723549326,3.589111436895516,4.293904593458692,5.004345103658805,5.705769709208219,6.387793463149063,7.043686329296977,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_5,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430404187717245,0.5164257330031546,1.6393829338901404,3.939497413239085,6.394536564967236,8.050024149248518,8.919741937221817,9.325444355369058,9.477445695089036,3.0725198496032315,0.4008392879305579,0.0206867785233414,15.121447167130697,4.502879054324912,9.25833220743628,0.5905812956066256,3.354226020457864,7.352640898748092,0.6090242501317849,7.733407407961571,0.3081581421005037,26.07185852702872,3.354226020457864,7.352640898748092,0.6090242501317849,7.733407407961571,0.2928982278715574,26.07185852702872,24.0,53.930105000000005,3.0,14.0,0.8399999999999999,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0055,2.404918553178056,3.006604809177181,3.647801435651942,4.309907677064598,4.977445052863977,5.638454400962693,6.2843140446969805,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_6,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1443517275301955,0.5457363280214346,1.7020544031506166,3.824743027675373,5.965483085679171,7.379428345756155,8.116832273892184,8.459865818729508,8.588252267377277,3.045612866410987,0.4191437240349568,0.0207612492918094,15.645688193631996,4.733543500690606,9.49111600550265,0.591338771036122,1.5806197834317612,3.478236025670329,0.3161239566863522,4.109611436922579,0.1106433848402231,14.22557805088585,1.5806197834317612,3.478236025670329,0.3161239566863522,4.109611436922579,0.1106433848402231,14.22557805088585,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0055,3.3832264866501043,4.05661192466224,4.746495469873851,5.436740428032089,6.115002974342403,6.772573936745753,7.4038748610236755,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_7,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1420675725010213,0.4987075494299213,1.5362386536913717,3.618701086293717,5.800738087714383,7.257433403380143,8.019193418300647,8.373821655559768,8.506577965582027,2.83936414571374,0.3904632793030856,0.0205172803388898,13.039886804053785,3.697188749602442,8.18506538130475,0.5082769917209262,2.5794215854253806,5.651738764801446,0.4920150184719636,6.51554173320109,0.2306850380673129,21.543943365910547,2.5794215854253806,5.651738764801446,0.4920150184719636,6.51554173320109,0.2306850380673129,21.543943365910547,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0055,3.136382680148252,3.819803264352403,4.5239780827216425,5.230971381298768,5.927032022392132,6.60244473140695,7.250971228809285,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_8,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417510735850548,0.4859434983208682,1.4002110456090424,3.205088027177394,5.105313910130297,6.37675737427782,7.042076792486239,7.351867965025279,7.467846552787657,2.5286199568034293,0.384546519799843,0.0204566158048583,12.44339945669302,3.152048537616466,7.794664714802718,0.2305444685690559,2.1508065946164887,4.725821828545559,0.4231802824622077,5.536248854314152,0.165216638191443,18.86858679927209,2.1508065946164887,4.725821828545559,0.4231802824622077,5.536248854314152,0.165216638191443,18.86858679927209,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0055,2.9719025261960663,3.666494209298065,4.381735692097164,5.099130734064311,5.804735582819473,6.488825913028253,7.14523158530438,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_9,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418364919096752,0.5220352380230356,1.4730931623115977,3.1570138843295483,4.914181413861267,6.105709568971193,6.735136549648952,7.029603622719677,7.140069946848264,2.53351841847799,0.4062707366938034,0.0201793848590121,9.650693505514631,2.7607418691274987,6.284396415970265,0.6299526774541644,3.4155704079012628,7.4748921177251155,0.5956606946918018,7.49649588295931,0.3443665172876126,24.911693767123968,3.4155704079012628,7.4748921177251155,0.5956606946918018,7.49649588295931,0.3231839433062012,24.911693767123968,24.0,53.930105000000005,3.0,14.0,0.8399999999999999,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0055,3.193372323197853,3.742796451827749,4.321296784408707,4.916426993044542,5.517108216747593,6.11428568848241,6.70108040749055,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_10,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1444045313852471,0.5398959247742269,1.632477349175249,3.555325951041837,5.430980548146216,6.647009566871687,7.275764260561691,7.567162076069326,7.67605624437805,2.858650561010408,0.4165055086871162,0.0207973969739557,13.736238293945137,4.093582239155516,8.411681831948027,0.4913161529359474,0.7411475777015009,1.6286711950576742,0.1460172767467232,1.9092857916752868,0.0565260319056165,6.515471483763124,0.7411475777015009,1.6286711950576742,0.1460172767467232,1.9092857916752868,0.0565260319056165,6.515471483763124,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0055,2.909681896128592,3.589716799647431,4.294551239536023,5.005023855813825,5.70647185947667,6.3885110116569575,7.044412162880006,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_11,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430915061404106,0.5166052089314843,1.640485675991951,3.942339331479464,6.398715304412778,8.054916713581997,8.924967427548424,9.330816960896234,9.482872189944828,3.0747738162609384,0.4009621717036714,0.0207010163551749,15.1396224892657,4.5107840348150345,9.267107811343775,0.5916327146338441,3.34816603774365,7.339352930111447,0.6080599776950097,7.72255870692438,0.3075487576457088,26.03340560095216,3.34816603774365,7.339352930111447,0.6080599776950097,7.72255870692438,0.2923793934053956,26.03340560095216,24.0,53.930105000000005,3.0,14.0,0.8399999999999999,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM0055,2.404640263323881,3.0064131188950736,3.647701602611056,4.309900162666397,4.977525833518307,5.638616062440351,6.28454704383905,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_12,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1443382235333834,0.54589455414811,1.7030721211263589,3.82724186592235,5.969322214427918,7.384093860556984,8.121914241739006,8.465138538848445,8.593595922155506,3.0475891187919664,0.4192241470175608,0.020755419804529,15.659308383453215,4.739728035530139,9.499070724858507,0.5928947817976565,1.582750751640779,3.48292533202462,0.3165501503281557,4.115151954266025,0.1107925526148544,14.24475676476701,1.582750751640779,3.48292533202462,0.3165501503281557,4.115151954266025,0.1107925526148544,14.24475676476701,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0055,3.3835432226843776,4.056967204962061,4.746856859216861,5.437087157967608,6.115323190932055,6.772862065545999,7.404129473946352,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_13,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2189330505570216,0.9218927868416388,2.286490926248616,4.39856759672413,6.48305616807126,7.857809672988592,8.574685470733952,8.908150460469805,9.032951805696769,3.6351439662134166,0.7209861212695258,0.0236665602476885,14.478191245617408,6.862000992076497,8.321700121743904,1.906800124172024,2.0858038479771706,4.588436800242916,0.4157107431660252,5.411489793305372,0.1490513248601604,18.74323410320635,-2.0713035836830818,-4.559494272711915,-0.4157107431660252,-5.396989529011283,-0.1419461953560569,-18.74323410320635,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,8.73759544849469,9.557625310417215,10.339254670714354,11.082423161379513,11.787375690615123,12.454551272653273,13.084580378837524,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_14,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1575784241361236,0.6566620529705463,1.6818863362966614,3.630684082823576,5.775508294306845,7.2535190219517505,8.037957802344415,8.405512730480874,8.543472723003692,2.890067651447072,0.5183111815232098,0.013176159138229,10.699724722657702,4.385319751040001,6.382932831856669,1.326331787689795,3.143023349442695,6.858809081975271,0.42818692031973,5.173149948763871,0.43606870795182,20.690764048142366,-0.1421538800141323,-0.3703942406604077,-0.2288485255716353,-4.065995229442208,0.106437104515795,-14.411604613577389,19.0,42.927345,2.0,1.0,0.4900000000000002,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0055,10.94924683977444,11.825559775484855,12.58530684969106,13.247213217459032,13.828761161565414,14.345137977544958,14.808961346393238,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_15,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2154310476553878,0.9175801967752676,2.320411243170658,4.432677160583311,6.455252366521979,7.773797941353752,8.458758185685525,8.776952575534288,8.895980641384005,3.6793050291725016,0.7145911187461528,0.0233456391126965,14.741540491788728,7.203341254607434,8.332797544183919,1.9281852829012804,2.125838068649484,4.6759198804753686,0.4231169535873516,5.510773697348297,0.1531150511048082,19.09152941499445,-2.105331467224033,-4.63498870403017,-0.4231169535873516,-5.490267095922847,-0.1430668164063376,-19.09152941499445,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,9.088235127009552,9.909400789665998,10.689906676342174,11.43034092202286,12.131234820224144,12.793176540854764,13.416913960317496,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_16,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1046928971722981,0.7369468066895133,2.372079166252655,4.991072990458849,7.460060701233679,9.033778125609818,9.840454170828863,10.212796852194868,10.351701136182331,4.05697580247655,0.5306760239336217,0.0038685296949701,19.97573651025952,8.104971532568236,11.736897240485732,1.9703038053725528,1.369509691877387,3.013677291480169,0.2739019383754775,3.560725198881207,0.095865678431417,12.325587226896486,-1.369509691877387,-3.013677291480169,-0.2739019383754775,-3.560725198881207,-0.095865678431417,-12.325587226896486,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,7.077310020974419,7.844794843353108,8.60371429049138,9.350118247442312,10.07994731423958,10.789307892027786,11.47476400124704,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_17,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1158910686813257,0.7635208426837258,2.270862963536176,4.5757763368039575,6.773707306520301,8.19750594313152,8.934169236757683,9.275702028536898,9.403351139974069,3.7538231313417993,0.5582532899112761,0.0046475084134798,15.680655151203847,7.050860917599737,9.112457710870784,1.8479832869436763,1.1745137518199416,2.51689608007478,0.1687264181647456,2.5243250971379068,0.2211862602458055,9.24709712239462,-0.5127504298275151,-1.196016489377895,-0.1687264181647456,-1.86256177514548,0.1030777675304836,-9.24709712239462,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,7.017918957557034,7.797507542588695,8.565558217378397,9.319283682946054,10.05532725156572,10.770174905503588,11.460573745357904,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_18,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2296184034191473,0.9452191140595174,2.214476282228207,4.099781338446997,6.018109035140029,7.320713232012763,8.010401843995991,8.333449759581667,8.454700709055547,3.414534652954359,0.7450986071549468,0.024438094785552,12.652120003022192,6.072065816134167,7.438819181533231,1.798484676020699,2.8326989164435146,6.185272736579517,0.5193845079571576,6.987774980100776,0.297315002347291,24.55118474136072,-2.361146163128062,-5.244053440961873,-0.5193845079571576,-6.516222226785323,-0.0662541532227189,-24.55118474136072,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,8.751860481198431,9.465495292703778,10.167798099727564,10.854165590993023,11.52031038834946,12.162626427100967,12.778356774363884,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_19,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2160952785110042,0.9257081240668538,2.403863448967289,4.623208487970815,6.685483237291355,8.003580903917316,8.682012091468287,8.995917638432992,9.113150991635427,3.8393987393981694,0.7182483845855673,0.0236477279349251,15.92708187596082,7.715611810737189,8.964376229856944,2.04925371479858,2.222801784000969,4.8913909113869,0.4445603568001938,5.779284638402519,0.1555961248800676,20.00521605600872,-2.222801784000969,-4.8913909113869,-0.4445603568001938,-5.779284638402519,-0.1555961248800676,-20.00521605600872,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,9.263925753974751,10.045664665879167,10.796462035975097,11.51508256576059,12.200226576451314,12.850906551259692,13.46661891226373,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_20,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2251655719533488,0.9474703723728788,2.394682436585007,4.687057101265219,6.979437826587358,8.501735867902337,9.297885214741797,9.66867123538011,9.80750620361258,3.854094972059984,0.7396966552265964,0.0243393328434079,16.064003257363435,7.898874660818467,8.97210461549534,2.005460219418174,2.3615298979596533,5.143690121688072,0.4205057348357428,5.725575776645596,0.2740876068451702,20.21776418651313,-1.8435274503977743,-4.109757236354562,-0.4205057348357428,-5.207573329083718,-0.0202664075398494,-20.21776418651313,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,8.800561051934878,9.597549864330338,10.368545253826223,11.110492321033329,11.820663287457254,12.496959778990172,13.1380460749274,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_21,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2194433221605403,0.9317374948227072,2.4341667219288663,4.810226368371227,7.090368845871368,8.566312035773594,9.329534400748893,9.683304516757127,9.81551694956307,3.958548793878117,0.724652413357105,0.0238874930545571,17.6768705588106,8.237320856992405,9.871297825676672,2.1042004490659365,2.401024403209845,5.283579052532231,0.480204880641969,6.242663448345598,0.168071708224689,21.60921962888861,-2.401024403209845,-5.283579052532231,-0.480204880641969,-6.242663448345598,-0.168071708224689,-21.60921962888861,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,8.780645726867338,9.579688931332788,10.348145030382982,11.084032779607316,11.785808222562752,12.452466262126324,13.083566780519185,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_22,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2188938703394394,0.9217988579911988,2.286524495685628,4.399362302138357,6.484913632437086,7.8604301128309215,8.577711812682413,8.911366582983783,9.036239058949578,3.635608265336843,0.7209007647022926,0.0236606556002024,14.48642556758089,6.864130040226063,8.326303588149392,1.906741951095511,2.0857468736853715,4.588314969820023,0.4157028138996655,5.411369384882696,0.1490400589165341,18.74279064642017,-2.071281265311284,-4.559441615505345,-0.4157028138996655,-5.396903776508608,-0.1419519108132314,-18.74279064642017,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,8.738837371405582,9.558873615598303,10.340495347281776,11.083647001950418,11.788576278027234,12.455723971697878,13.085721815081865,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_23,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1575493855031272,0.6566646630611849,1.6827600605940034,3.633619014803982,5.7802695365279,7.259297073483368,8.04421005519547,8.411973259470539,8.550009255660365,2.8922580086872034,0.5182791479397791,0.01317255025851,10.71781268441489,4.393027554277805,6.391522055570076,1.3271722074625063,3.1475993719547595,6.869224327659979,0.4287440690662579,5.175446147272846,0.4361520492065039,20.707463385411017,-0.1383371921278364,-0.3616499503051062,-0.2284432437502612,-4.069041807947891,0.105986077062724,-14.39798738795712,19.0,42.927345,2.0,1.0,0.4900000000000002,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM0055,10.94889902898965,11.82515063215863,12.584861701664185,13.246756532158203,13.828314424299345,14.344718843108277,14.80858347906615,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_24,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2154156067348076,0.9175285567154916,2.32026787445639,4.432334046466049,6.454655831845056,7.773014639575078,8.457873266475483,8.776019593507911,8.895029554597272,3.6790419372562746,0.7145498276979876,0.0233438270480606,14.73963495300086,7.202602804565052,8.331732835079213,1.9280003854395849,2.126124435123852,4.676559838503495,0.4231838026480166,5.511594856307985,0.1531149876498525,19.0942982285796,-2.105713591356314,-4.6358197943434885,-0.4231838026480166,-5.491184012540446,-0.1431136742037587,-19.0942982285796,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,9.081529738651447,9.903358254301734,10.684462391699926,11.425430596504109,12.126798291266343,12.789159277113887,13.4132674029707,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_25,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1046883628450776,0.7369179199812406,2.371970564382614,4.99100140622351,7.4601085670227985,9.03390650897752,9.840621432804458,10.212981255204523,10.351891789713743,4.056872987398105,0.5306571540315308,0.0038682087389689,19.976688703635222,8.104247712104915,11.737819745830532,1.97014090517059,1.3695048403494756,3.013666615440719,0.2739009680698951,3.5607125849086363,0.0958653388244632,12.32554356314528,-1.3695048403494756,-3.013666615440719,-0.2739009680698951,-3.5607125849086363,-0.0958653388244632,-12.32554356314528,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,7.078695467885746,7.846014469305942,8.604776360198313,9.351036387565276,10.080737156639756,10.789985198152207,11.475343662705193,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_26,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1158606483157105,0.763451291060431,2.2710694563159364,4.57700083686614,6.77612938601128,8.200728832946107,8.937805928076308,9.279529870493906,9.407250280245531,3.754637773644304,0.558183999137941,0.0046450157549429,15.690871510074883,7.054247257147146,9.117702375624466,1.848267910807076,1.1745115203019052,2.51689999673733,0.1687346026582262,2.524388341567714,0.2211679793656584,9.247249654674048,-0.5128345062803574,-1.1961926767503204,-0.1687346026582262,-1.8627113275461669,0.1030537575049001,-9.247249654674048,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,7.018706677417211,7.798121039679596,8.5660505671174,9.31969104884529,10.055674903857998,10.770480713549732,11.460850357596556,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_27,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2295691012287398,0.9451703267403604,2.2147086526979254,4.100995240620183,6.020520205672543,7.323944445915592,8.01406162469668,8.337308487322861,8.458633791632458,3.4153490294993283,0.7450412169244384,0.0244228687538822,12.662329585540782,6.075490354847578,7.444310625631011,1.798578783158161,2.833422943033069,6.1868705877645205,0.5195338040894362,6.989693375748558,0.2973562534983879,24.55779079695407,-2.361915097861292,-5.245740928801652,-0.5195338040894362,-6.5181855305767815,-0.066317409364217,-24.55779079695407,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,8.75224979332078,9.465918575380911,10.168205890950397,10.85453200804948,11.520624624972884,12.162887182162608,12.77856865220355,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_28,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216081791469066,0.925677845635846,2.4037292810655826,4.62299071586377,6.685305709067887,8.003481098242533,8.681965919174953,8.9958991497642,9.113143287752797,3.8391951448975616,0.7182273321418828,0.0236420928828984,15.928030609783844,7.715225556862281,8.964774301371126,2.049012167250209,2.2238592116318325,4.893717835874853,0.4447718423263665,5.782033950242765,0.1556701448142281,20.014732904686493,-2.2238592116318325,-4.893717835874853,-0.4447718423263665,-5.782033950242765,-0.1556701448142281,-20.014732904686493,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,9.262934515258705,10.044615698308256,10.795365295109535,11.513953686167,12.19908237474386,12.849762448657469,13.465487769602388,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_29,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2252320806733087,0.947615490115174,2.3952239466651872,4.688627196991419,6.981980208403657,8.5048426489804,9.301261948782368,9.672168101457824,9.81104716484001,3.855283431197545,0.739819820522212,0.0243546379762256,16.075940686811478,7.90323584777989,8.978496025744127,2.006004717514176,2.3624224455462186,5.145668705226732,0.4206984081470503,5.728009710722621,0.2741203412088416,20.226080390672102,-1.844561635924284,-4.112018529221348,-0.4206984081470503,-5.210148901100686,-0.0203685444940931,-20.226080390672102,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,8.79864624536143,9.596033577080574,10.367333557574002,11.109514267790717,11.819865461078743,12.49630198049397,13.137497994378563,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_30,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2194528014440928,0.93180858733896,2.4344187706843554,4.810959036557223,7.091730799953712,8.568152452416648,9.331640758934771,9.685538027223632,9.81779858226029,3.959086491044871,0.7247068361795911,0.0238838824829835,17.68320088657219,8.238689401393,9.875742850922885,2.1047206810688173,2.400983303840162,5.283488611232075,0.4801966607680323,6.242556589984421,0.1680688312688111,21.60884973456146,-2.400983303840162,-5.283488611232075,-0.4801966607680323,-6.242556589984421,-0.1680688312688111,-21.60884973456146,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0055,8.777954340479315,9.577163176741694,10.345737021642284,11.081716711344685,11.783571636266368,12.45030413611254,13.081477817520678,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_31,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.098705408941863,0.6067183690780652,1.8959358983355263,4.121271055958724,6.388183499926536,7.895299641355902,8.682795454350275,9.049321274645122,9.18652077331424,3.3031260172830383,0.4443545132878514,0.0049474651472052,14.443239272670391,5.270280472735215,8.678461105429642,1.1580425886254384,4.953518931460216,10.927768153068218,0.6152796418548695,6.260672366748445,0.6999365677666736,25.080640484267835,0.0519815756100199,0.4545578554077146,-0.0591129188470654,-6.260672366748445,-0.6999365677666736,-1.8950619438095613,18.0,40.931345,2.0,0.0,0.0,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0055,10.785262801640286,11.51592721071192,12.21920242811199,12.893812685305312,13.53812622161245,14.15070963359118,14.73060715267769,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_32,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0924214431575908,0.4280986615446324,1.3072625394894977,3.1458396148723864,5.290535727028787,6.809221013239931,7.6243104508681,8.00798056888125,8.152251724069288,2.430340732528557,0.3244544503334065,0.0084712932214058,9.17006985049589,2.97860422301438,5.720981493722988,0.5583551852451175,5.477160267304511,12.178689402254026,0.6713489649615368,5.92850453014447,0.6817499145619896,26.152491248145683,1.3343823652602615,3.3105106797302444,0.0854891053234377,-5.92850453014447,-0.6817499145619896,2.718096862621714,18.0,40.931345,2.0,0.0,0.0,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0055,14.267166717084017,14.963261556673594,15.566725035953816,16.097271699684764,16.569651626339873,16.99488708812853,17.381253407708506,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_33,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1075612545742265,0.5806784274519123,1.7950130989309647,3.984353887905448,6.222853289681688,7.715294136436758,8.49731523817081,8.86188938732456,8.998460878285483,3.177236340801626,0.4343585327752719,0.0064008726773093,12.83006342056097,5.072336336750747,7.659537018900418,1.1676995822138274,4.129117497694701,9.054026219971949,0.5041227925895208,5.55393750702343,0.6506270903076916,21.473630109819776,-0.517815808081326,-0.8420575890470574,-0.1028670492991457,-5.55393750702343,-0.6506270903076916,-2.805963565726885,18.0,40.931345,2.0,0.0,0.0,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0055,11.665677851115063,12.437264200206902,13.146239709363025,13.801528079666513,14.409770613729211,14.97589587459811,15.503648943347708,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_34,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0986855120521031,0.6068040440221103,1.8969596754644984,4.12381664230928,6.391842210022221,7.899524852482314,8.687273582059456,9.053908195226,9.191147036864704,3.305168746811497,0.4443739142707718,0.0049453793678208,14.456906215441386,5.278336414948207,8.684159736589502,1.1597755780554393,4.956841915695688,10.93542318138753,0.6155458459493459,6.259531520290502,0.7002120498822664,25.08926646697197,0.0577880023042476,0.4676627753334194,-0.0583647439493531,-6.259531520290502,-0.7002120498822664,-1.8671571289759872,18.0,40.931345,2.0,0.0,0.0,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0055,10.766217433596262,11.497298317314987,12.20109679305629,12.876317096208709,13.521303664075525,14.134599976744855,14.715230108702803,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_35,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0924282403278704,0.4280836003519784,1.307626461542697,3.1475104646865413,5.2935128616748,6.812990614774391,7.628472396828511,8.012320599236745,8.15665772114191,2.431514263739132,0.3244425353608297,0.0084730647547537,9.181373251529212,2.9819338114936937,5.7272415528679375,0.5583602945928199,5.477258822806858,12.178929040250068,0.6712959560732699,5.927325160380337,0.6818067345188135,26.15107463390035,1.3354660693645453,3.312959457058574,0.0856734763902194,-5.927325160380337,-0.6818067345188135,2.726175446578332,18.0,40.931345,2.0,0.0,0.0,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0055,14.21174424665765,14.915171824502506,15.524775558748091,16.060472804540517,16.53718905670837,16.966092537300273,17.355577812593005,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0055_36,RSM0055.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.107506602415952,0.5806944073569891,1.7961109553440615,3.987535383772733,6.227911229239223,7.721481226784814,8.504059990946207,8.868886664399486,9.005551569462046,3.179678891849046,0.4343105313613669,0.0063940533033477,12.848999596617626,5.081717334492854,7.668005338717787,1.168652351206298,4.135164012912354,9.068078120365318,0.504645694484385,5.551436742931741,0.6509592331049101,21.488527059946428,-0.5062354848044722,-0.8160267001249877,-0.1014314135835091,-5.551436742931741,-0.6509592331049101,-2.7545572627693384,18.0,40.931345,2.0,0.0,0.0,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM0055,11.718292438631975,12.483399940832577,13.187048544724714,13.837930092773984,14.44249685249475,15.005527201755967,15.530648593845926,"N#C[N]c1ccc(cc1)[N]C#N.[Mn].n1ccc(cc1)c1ccncc1sql,pcu.cat0","linker N#C[N]c1ccc(cc1)[N]C#N, n1ccc(cc1)c1ccncc1, nodes [Mn], topology sql,pcu"
RSM0239_0,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0006290778595087,0.0699285264521239,0.6114986145740937,1.8365895420823344,3.158847412894858,4.054043803595185,4.52524634512226,4.745246105118759,4.827702464791305,1.3719817293162055,0.0338350792881586,1.3477191472983682e-07,3.5969757054472256,0.8306503493212759,2.621606447472577,0.1182790407066561,39.32049708065955,94.79802342221664,2.9082735652634195,4.990263015939988,1.224534977063278,71.85866156089027,-39.32049708065955,-94.79802342221664,-2.9082735652634195,0.9616925180225064,1.224534977063278,-71.85866156089027,0.0,0.0,0.0,5.0,1.4700000000000002,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0239,21.143575837086008,21.32265657902159,21.4623158779707,21.57322271389034,21.662702899944662,21.735907606056188,21.79653756931865,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_1,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0003611707652762,0.0558757069204024,0.6243949974788215,2.107286979767904,3.7591695757849353,4.875111906681333,5.459569210540197,5.731635619953181,5.833468384533874,1.5329976245485255,0.0253240905241951,4.9181795099746084e-08,4.58455729311925,1.1275997528075976,3.1106694670475274,0.1026930813019793,37.24490085042562,90.35963567811338,2.650857369406812,4.357467370292604,1.344436003815535,62.76984234980674,-37.24490085042562,-90.35963567811338,-2.650857369406812,2.907266730258909,1.344436003815535,-62.76984234980674,-31.0,-76.958,-2.0,5.0,1.4700000000000002,-42.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM0239,21.11765920599296,21.26744514910526,21.38323813955947,21.47455606886462,21.54782034887203,21.607483794046,21.65670976297976,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_2,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0003771558478215,0.0573153205532689,0.6142600434209635,2.044068944615204,3.657137371419136,4.762220713069987,5.345732670368605,5.61842713171598,5.720665889494943,1.4892806749319614,0.0261616614286278,5.634274293018584e-08,4.2524928273494345,1.075256755476308,2.8321035010519924,0.1005963383345458,38.66202878637816,93.37294770863458,2.8295497060108854,4.796515792662575,1.25737700571959,69.12467974803151,-38.66202878637816,-93.37294770863458,-2.8295497060108854,1.5246966301126297,1.25737700571959,-69.12467974803151,0.0,0.0,0.0,5.0,1.4700000000000002,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0239,20.8738633584396,21.030660482431163,21.152128675608047,21.24806963821232,21.325130594542905,21.387939318126776,21.43979363783776,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_3,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0006298280767597,0.0699648773450809,0.6116990228091662,1.8372985211620605,3.1602952562126867,4.0560497094375085,4.5275567049584415,4.747700397186375,4.830210948100687,1.3724713485077356,0.0338559675948516,1.3510572903516334e-07,3.5988628834726675,0.8313324145978862,2.6227450597033664,0.1183847501090493,39.32298876656004,94.80343475212145,2.9085833211679613,4.991319035375749,1.2243875593512965,71.8696481408309,-39.32298876656004,-94.80343475212145,-2.9085833211679613,0.9591496234586304,1.2243875593512965,-71.8696481408309,0.0,0.0,0.0,5.0,1.4700000000000002,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0239,21.12683883691144,21.305985151302995,21.44569579032632,21.55664360919789,21.64615706087769,21.71938916055052,21.780041965978373,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_4,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0003615866023656,0.0559150274805286,0.624814397814571,2.108385051523604,3.760705246783406,4.876838767536157,5.461373338112308,5.733471310054697,5.835315229657278,1.5338770661367895,0.0253424413238485,4.9305398183928657e-08,4.58860182400736,1.1293085639197502,3.112640751073014,0.1028162376124209,37.24454268465574,90.3588876974638,2.650883096288367,4.358954502993099,1.3443221383643684,62.77202461095224,-37.24454268465574,-90.3588876974638,-2.650883096288367,2.9053689727394656,1.3443221383643684,-62.77202461095224,-31.0,-76.958,-2.0,5.0,1.4700000000000002,-42.0,-47.0,-111.40306,-4.0,-11.0,0.5100000000000002,-113.0,RSM0239,21.119491752371115,21.26925463490035,21.38502927365766,21.476332488625204,21.549584866237787,21.60923859444296,21.658456557583484,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_5,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0003766906419845,0.0572830447547676,0.6140701454201154,2.0436413859321063,3.6565332129306833,4.761525940048632,5.344997273417918,5.617674216168089,5.719906630678595,1.4889320585673125,0.0261443715842972,5.620306639740912e-08,4.251242070547041,1.0747705527399212,2.8313609831256668,0.1005117361864573,38.66290427016436,93.37492919355284,2.8296465314024326,4.796893840553172,1.25734617465743,69.12793428504015,-38.66290427016436,-93.37492919355284,-2.8296465314024326,1.5240012563277066,1.25734617465743,-69.12793428504015,0.0,0.0,0.0,5.0,1.4700000000000002,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0239,20.8813966254685,21.03813020278182,21.15954785138434,21.255448031865832,21.332475646491883,21.39525678380737,21.44708803227148,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_6,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1431043447145481,0.4750609229020078,1.1739594101406416,2.3872182352353786,3.62628394905946,4.4479428205230445,4.876464713396302,5.075727276161457,5.150286572457423,1.939946006781728,0.3820836798763257,0.0208298356978481,5.544636111997494,1.1558109437099264,4.060347608157139,0.2248577193123525,11.487430832843222,25.9197919531926,1.3613345511436723,10.82724288267714,0.5360055438265191,48.12691354087095,11.487430832843222,25.9197919531926,1.3613345511436723,10.82724288267714,0.4241929096824899,48.12691354087095,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0239,3.7159153076542304,4.398963104742687,5.100615677757165,5.8022645572305285,6.490154533700495,7.1548902302244,7.790673517821711,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_7,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430439315432404,0.4738479484873025,1.1432256315480651,2.297319972364829,3.518587272706187,4.348691828167025,4.786646094536026,4.991310994980896,5.06804655290919,1.8674107253351944,0.3816692492856207,0.0208123414050161,5.450337344684589,1.045703076974724,4.039468252208518,0.1621376260051932,7.029308901109069,15.298158121485422,1.0342784423885556,10.932733271571076,0.5205648162608967,40.411233921147016,7.029308901109069,15.298158121485422,1.0342784423885556,10.932733271571076,0.5132035227705424,40.411233921147016,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0239,3.676870540072687,4.352232670612311,5.047823498911018,5.744950117389352,6.429682094627189,7.09241615384435,7.727146433932951,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_8,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1431232843407284,0.4751203911021091,1.1741457982899068,2.387548063349013,3.62674158529235,4.448489543943404,4.877060056935869,5.076345757224256,5.150913797674603,1.940228312180536,0.3821272123701132,0.0208351772898037,5.545632029615667,1.1562868489196203,4.061086849138428,0.2251032821647828,11.488532585968976,25.921998124040563,1.3614955438475065,10.828492777693729,0.536061532465391,48.13310658442814,11.488532585968976,25.921998124040563,1.3614955438475065,10.828492777693729,0.424265760356732,48.13310658442814,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0239,3.7163704042416,4.399425930163623,5.101072540535956,5.802707912548232,6.490580672879678,7.155297766726451,7.791062420922816,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_9,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430166193227565,0.4738352198063775,1.1435148700242006,2.298532006555718,3.520895705047535,4.351769123191772,4.790134851835823,4.994993348537924,5.071801705118153,1.8682552908381584,0.3816433820113251,0.0208043793131082,5.454577013923921,1.0471005734638683,4.0424602570289725,0.1625689948970888,7.028866954909976,15.297011041242593,1.034454213626693,10.9382341251062,0.5208132088144167,40.42205129508509,7.028866954909976,15.297011041242593,1.034454213626693,10.9382341251062,0.513479631038598,40.42205129508509,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0239,3.67762935950684,4.353009888510259,5.0486154081790575,5.745753658622569,6.430494504250164,7.093234875839222,7.72796913111817,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_10,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1431233390828842,0.475101334495976,1.1739575220771634,2.3871479276647243,3.6262575218246895,4.447984161136198,4.876548969397816,5.07583280448531,5.150400245708662,1.9398860785830248,0.3821193552156425,0.0208351736220968,5.544535735598641,1.155567964387159,4.0603626791818215,0.2248798636658405,11.487079414934051,25.917888909116844,1.3614463276641873,10.829048502464152,0.5361130583674907,48.133268925957175,11.487079414934051,25.917888909116844,1.3614463276641873,10.829048502464152,0.4244136019038949,48.133268925957175,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0239,3.7166727310675727,4.399742540105945,5.101396250422551,5.80303328002089,6.490903787219505,7.155615952116913,7.791373944743299,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_11,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430118086521472,0.4738436919635154,1.1436116972461896,2.2986480765514874,3.520953370963034,4.351774623792187,4.790111193509808,4.994955816587673,5.071758937923079,1.8683789511618567,0.3816432386561027,0.0208030134831472,5.454904160358117,1.0472247538131028,4.042905231302059,0.1627025360132836,7.027840252396605,15.294916925383813,1.0343120440438462,10.937180945880732,0.520763316286936,40.416713907343535,7.027840252396605,15.294916925383813,1.0343120440438462,10.937180945880732,0.5134179928891838,40.416713907343535,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0239,3.6780966591225424,4.353491427237811,5.0491045833644925,5.746245291842979,6.430984750507544,7.093721007744192,7.728449301828174,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_12,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1431009946053048,0.4750339730407831,1.173776420828169,2.3868399298544394,3.625812121710183,4.447432051682433,4.8759361773851735,5.075190667196039,5.1497469486788665,1.9396227865616784,0.3820685142299,0.0208289244164561,5.543477331707134,1.1551275519049216,4.059641920166654,0.2247130612340416,11.48572329120687,25.915013979825385,1.3612864368834543,10.828274207440952,0.5360843564301749,48.12766871399013,11.48572329120687,25.915013979825385,1.3612864368834543,10.828274207440952,0.4243805352989133,48.12766871399013,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0239,3.716162935171748,4.399222227380868,5.100882140123651,5.802534990949918,6.490426298530768,7.155161312929096,7.790942422329936,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_13,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430103558967338,0.4738147412879327,1.143282603676976,2.297471287551816,3.518789299442763,4.348918486009214,4.786883974170845,4.991553784359932,5.068291132560879,1.867535606080552,0.3816293275311525,0.0208026153500776,5.4508040494049865,1.0458513192307863,4.039959527209669,0.16225652201535,7.028199940544662,15.295886500086535,1.034127377339796,10.93161234834568,0.5205080603913275,40.40562303375426,7.028199940544662,15.295886500086535,1.034127377339796,10.93161234834568,0.5131351750623914,40.40562303375426,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0239,3.6770890829811385,4.3524385940875145,5.0480175662029785,5.74513375075747,6.4298570737877725,7.092584363352247,7.727309688695793,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_14,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1426967109768919,0.4765154685015868,1.168551346320968,2.2301124020513705,3.209394578832232,3.8290955986833546,4.146207933408149,4.292528538076096,4.347110564550111,1.8553073389335093,0.3823700041954829,0.0207099409974131,4.792306496597629,1.0723371836958782,3.4460652949714707,0.2155941623175209,9.901770040896489,21.57017524358805,1.331695613413868,12.45465171501082,0.6488259926052613,49.66526834603619,9.901770040896489,21.57017524358805,1.331695613413868,12.45465171501082,0.6302881099464508,49.66526834603619,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0239,3.3180511929558616,3.9627828662784617,4.63908635415289,5.326757223364387,6.010011626497917,6.67743211553821,7.321416541095551,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_15,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425322168389458,0.4642227857414898,1.0223018987945065,1.8674897970861808,2.775650400502092,3.420569142934553,3.7702572951886073,3.9358607394990175,3.9983043929265087,1.5557424562407598,0.3771474111191582,0.0206806212667272,4.448258623633585,0.5526001753621541,3.3929740189592064,0.0160904057708996,9.599910567543697,21.62320602360843,1.2096287423362564,11.053596124519071,0.5527753875253365,44.145936140707725,9.599910567543697,21.62320602360843,1.2096287423362564,11.053596124519071,0.4655148554072841,44.145936140707725,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0239,3.746418762000466,4.427582350716274,5.127588110103009,5.827793902645493,6.514435361011582,7.17812031635564,7.8130580022112595,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_16,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1427280749832585,0.4765678159106664,1.1685257765010515,2.229533823564456,3.2079063854293604,3.826857426690602,4.143537614215352,4.289648225027608,4.344150236806672,1.8549793890143893,0.3824182131093715,0.0207189521469368,4.790057867826252,1.071547577277247,3.445064027690271,0.2154713169516421,9.897623606419694,21.55921628225172,1.3314549183364754,12.45472579837626,0.6488639089643696,49.660764069310105,9.897623606419694,21.55921628225172,1.3314549183364754,12.45472579837626,0.6305258198135784,49.660764069310105,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0239,3.319791481994528,3.964617914605213,4.641004262944004,5.328743929383578,6.012052377515156,6.679512614273239,7.323523692080536,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_17,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1425433011603044,0.4642410354725516,1.0221896885093895,1.866087299715624,2.771741231547364,3.414541791321636,3.7630164729946136,3.928033908583528,3.990254991274694,1.5549744107508447,0.3771647282669222,0.0206837816229109,4.4449209370135385,0.5518710486005769,3.39093455449352,0.0160872840656516,9.583797791190216,21.5831693099425,1.2081860483944216,11.045012829291387,0.5524887359400403,44.10162290882235,9.583797791190216,21.5831693099425,1.2081860483944216,11.045012829291387,0.4657455095549606,44.10162290882235,47.0,111.40306,4.0,16.0,0.96,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0239,3.746402850147473,4.427528892117621,5.127492431351743,5.827656688426863,6.514260477610976,7.177913205526249,7.812824608701524,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_18,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2419539327300548,0.9671675457172544,2.035779029547325,3.232492210673336,4.276479790372797,4.947280307153537,5.295740800538008,5.457808068612936,5.518474798075713,2.828284464718681,0.7703466895945338,0.0259677007314742,5.896422819609076,3.850243812480092,3.300103919691,1.5278494548906092,3.1199637198008507,6.694007978454589,0.4222677923938846,5.300995600020324,0.4415038568042153,20.37902366640391,-0.3545201673057439,-0.9517744882856012,-0.2726289850274342,-3.732662506456821,0.1982899847067539,-16.488414674876193,11.0,23.442300000000003,1.0,3.0,0.6100000000000003,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0239,9.170409598885335,9.787178787623676,10.421607254764446,11.063586355903734,11.703533409936044,12.333212495253637,12.94605563129998,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_19,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2416682528534114,0.9668175998652998,2.034584304188393,3.22451735313272,4.260528839818982,4.925620918881352,5.2708954874840455,5.431423674937295,5.491504526371278,2.823057209198766,0.769921783283862,0.0259285544963552,5.87709441131546,3.861219806677857,3.2575959598033064,1.5244300253576648,3.00214043664626,6.444694138784946,0.4126895901155021,5.25643199288184,0.4289904596287993,20.057366918683005,-0.4702397365784895,-1.1964589961651224,-0.2817864445294475,-3.7717564575025073,0.185923847503067,-16.65388513344558,11.0,23.442300000000003,1.0,3.0,0.6100000000000003,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0239,9.149704651039498,9.764481304673314,10.397118597499976,11.037477958035158,11.67593229261486,12.30420587332408,12.915701769980805,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_20,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2419911679666821,0.9672417466629034,2.035891283422355,3.23277437595887,4.277068902582951,4.948130578775344,5.296742114929648,5.458882706077693,5.519577348769339,2.828487242670974,0.7704150783283257,0.0259748663243539,5.897641851550269,3.850759791349577,3.3008751895681683,1.5280170329672842,3.1197956600981547,6.693684334979941,0.4223022685705582,5.301913020094653,0.441484727364789,20.38135250691254,-0.3555390327524468,-0.953970374041836,-0.2727646699995621,-3.733957181316912,0.1982112988652472,-16.49337494406664,11.0,23.442300000000003,1.0,3.0,0.6100000000000003,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0239,9.1710665269453,9.788094753730393,10.42272944088882,11.064876463093102,11.704963003308702,12.33476006707641,12.947704641057737,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_21,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2416537929225956,0.9668298834432256,2.034693899180134,3.224914595112101,4.261354863333108,4.926794648165831,5.2722685825395095,5.4328934564898965,5.493011119078687,2.8233315901877587,0.7699240587415462,0.0259217628458558,5.879252770328872,3.861804387374958,3.258968664625165,1.524522226406657,3.0020731168084667,6.444678152699511,0.4128901109935449,5.26096147664526,0.429037645691017,20.07020568657156,-0.474182663057254,-1.2050034561955614,-0.2823610449795992,-3.777303551005613,0.1856997411004168,-16.67644997020897,11.0,23.442300000000003,1.0,3.0,0.6100000000000003,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0239,9.156638848033236,9.771456031386428,10.404111618889385,11.044472811224647,11.682916506567375,12.311169964418628,12.922638610301671,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_22,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2420088087596203,0.96727921326285,2.035871914933093,3.232588786462978,4.276718956571438,4.9476790269409126,5.296239735980387,5.458357163094809,5.519043212478336,2.8283638204915897,0.7704513697778992,0.0259766817836646,5.896741254210386,3.8505007986855713,3.3002240894564294,1.5279546063530858,3.119540575767673,6.693142259009283,0.4222848480555528,5.302040145310738,0.4414836827135218,20.38132599431401,-0.3559458954745065,-0.9548464462556364,-0.2728124461928832,-3.734224679918929,0.1981996297265695,-16.495043545884606,11.0,23.442300000000003,1.0,3.0,0.6100000000000003,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0239,9.171665911791454,9.788737435322682,10.423407575130346,11.065584528955563,11.70569711549846,12.335517462990495,12.948483309305582,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_23,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2416377758116762,0.96679924729309,2.0346853920196124,3.224886758916356,4.261247889848439,4.926621498339841,5.2720589584368485,5.432666612492651,5.492777801673732,2.823320497572244,0.7698939069185258,0.0259193698497414,5.879299570265443,3.861664399073639,3.2591994878995747,1.5245346896628849,3.001847249696861,6.4441341626404585,0.412771682009344,5.258822906103086,0.4290139886873614,20.063751627186328,-0.4726209456037497,-1.201613773464691,-0.2821219570507782,-3.774794401678502,0.1858012150163189,-16.666858778263613,11.0,23.442300000000003,1.0,3.0,0.6100000000000003,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0239,9.158415497802638,9.77326999120896,10.40596015918008,11.04635319736736,11.68482605487542,12.313106084835349,12.92459884073334,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_24,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2419506510439403,0.9671557588242624,2.0357047202605094,3.232258819592758,4.276093141711523,4.946801558638174,5.295216875731423,5.457263767398032,5.517922972475775,2.828110120719608,0.7703382152784224,0.0259668890078116,5.895468973774582,3.8498255571237374,3.299518036884636,1.527744644057088,3.120009696017287,6.694097650589097,0.4222590030078937,5.300733334275989,0.4415049901096489,20.3783491087182,-0.3542375929338706,-0.951164169606952,-0.2725904547823378,-3.732309616997021,0.1983076798830681,-16.486966854853737,11.0,23.442300000000003,1.0,3.0,0.6100000000000003,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0239,9.171249605795673,9.788057236553705,10.422517820287023,11.064524603638796,11.704496140685082,12.334197313144626,12.947060662763766,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_25,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2416406693824043,0.9667889657233472,2.034580795585665,3.2245147871957767,4.260499568998202,4.925571553388429,5.270836210941873,5.43136001914143,5.4914392748367336,2.823059607095678,0.7698907129225373,0.0259194836812905,5.877186937724846,3.8611142176730144,3.25776283830066,1.5243836615331707,3.0014991576402905,6.443231688004738,0.4124881680165018,5.253366511207203,0.4289630709894342,20.047642802425862,-0.4683587784215385,-1.1923711329119937,-0.2814834191958641,-3.768264122553554,0.1860730154651064,-16.641519333089285,11.0,23.442300000000003,1.0,3.0,0.6100000000000003,26.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0239,9.151736924310002,9.766514481189237,10.399152633217255,11.03951301686851,11.677968712977089,12.306244087744815,12.917742231342014,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_26,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2412694996425011,0.9659714869090936,2.0355578473620355,3.2280599243948003,4.25888165105382,4.917557727786601,5.25891442924874,5.41752679744594,5.476878125985339,2.826559842298936,0.7691569946959362,0.0258315166670757,5.946059458624518,3.8543810868781945,3.288733291666038,1.5129307358477972,2.648239426002593,5.71634376469724,0.4208786718253176,6.015268800605135,0.4137921079081039,21.65877056651932,-1.5605472922505823,-3.545310265728224,-0.4208786718253176,-4.927576666853123,0.1191770376303819,-21.65877056651932,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0239,9.218552967298622,9.818223511616504,10.43958424408658,11.07198771495582,11.705229325754868,12.33047448305661,12.94063192259933,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_27,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.24028523541393,0.9618689714702612,2.004372443287376,3.1068379711796066,4.032375733740312,4.618620446080783,4.921568482077759,5.062178514629362,5.114770676415506,2.74121213640669,0.7662122786899896,0.025705577293697,5.38693555652339,3.6813470807519626,3.001063150117244,1.490528761664526,2.725790534907368,5.886596464022715,0.4359953032457356,6.213752960873253,0.4200472252885655,22.34885873945156,-1.6341624975499882,-3.707706901457385,-0.4359953032457356,-5.122124923515874,0.1148505130165508,-22.34885873945156,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0239,9.437402158600555,10.053523816561391,10.687303283609513,11.328369201217942,11.966993368731094,12.5948830055217,13.205475303095604,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_28,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2413079658782331,0.9660160565214444,2.035495889901408,3.2274606494376554,4.2572468842322095,4.915021000135161,5.255851924584745,5.4142083173808055,5.473462092716387,2.8262179388422566,0.7692066737346424,0.025841243272011,5.942709068783318,3.853319286551557,3.287059509696285,1.5128802460385635,2.646538980988472,5.712550940379984,0.420488809033394,6.010449453255625,0.4137776017142236,21.64247108561024,-1.5583491093454689,-3.5405239565805493,-0.420488809033394,-4.922259581612622,0.1194354353908479,-21.64247108561024,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0239,9.227689404937644,9.827430816478628,10.448864267384057,11.08134193594774,11.714658116786886,12.339976914832665,12.950205879369236,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_29,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2403147176341055,0.961912958199556,2.004317654413663,3.10637372190204,4.031338326277261,4.617162615447141,4.919884027441185,5.060387432420027,5.112939522946597,2.740923860248599,0.7662588577277154,0.0257106258838724,5.384852570551961,3.680270686124593,3.000155109696561,1.4904053238824269,2.725009537340118,5.884830370861399,0.4357926926459026,6.21135107850734,0.4200900187402623,22.340901539618645,-1.6329173891189082,-3.705014443011864,-0.4357926926459026,-5.119258930286129,0.1150351338881307,-22.340901539618645,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0239,9.438538359940926,10.054792511437268,10.688642043593685,11.329735899196956,11.968360619546726,12.596233920915656,13.20680030038445,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_30,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0951196258276041,0.5860403880868594,1.6539740892364732,3.063590795411821,4.303314439302386,5.084573921827821,5.485114422559169,5.67019831090311,5.739288125114633,2.5803716570594424,0.4309215957189237,0.0046619519242487,6.909867332750675,2.6992240938561016,4.188508192795897,0.6342548439430049,9.170333693805214,21.681671804044868,0.7436100560688867,3.0996989978645733,0.5202257571548277,21.88196134613925,6.726442386508795,16.472249150217316,0.4195696121095023,-3.0996920607060425,-0.5202253409253157,8.92034358776388,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.713662278716711,11.39607612751604,12.082791614511535,12.76402735564465,13.43078375902424,14.075761061653305,14.69360292869784,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_31,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0952735418275298,0.5850931548702957,1.654518507691916,3.086683237250908,4.352052706621983,5.147656091225254,5.55460864796968,5.742417897668977,5.81248564060073,2.5939710122783746,0.4304995307803774,0.0046810773072069,7.036376994891732,2.7519715966036795,4.201809825947593,0.6221356375567584,8.538399429142158,19.969937717953687,0.7152257802671691,3.0353785459605005,0.4732372849253738,21.56781028124718,6.2118587548108986,15.012127653717794,0.4081792803349254,-2.706499830901102,-0.4535045620218099,9.285950283957437,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.71461599599568,11.397447395740455,12.084720668107316,12.76642752832532,13.43346083680352,14.078486391078536,14.696154467579683,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_32,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0963658525219478,0.6060254760987531,1.7542106376779645,3.202287999599412,4.415893496478734,5.168052390769507,5.552090142457465,5.72937081917438,5.79553022517647,2.7166314343341336,0.4421257031698553,0.0047317639436357,7.069131015729033,3.019143568255552,4.199101586989529,0.751038521220446,8.934040977411001,20.652286437282893,0.7557168157350401,3.792502752892621,0.614290438566676,24.64515479581316,5.71249406634507,13.843001308023611,0.3850751258256931,-3.2774364851250137,-0.5833864625006194,9.819487199439278,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.840057700325035,11.49712260580701,12.15869986858416,12.816097378423851,13.461031223889666,14.086577366946424,14.68749312419592,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_33,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0951164189430036,0.5860608057661565,1.6540966760839826,3.06406788755288,4.304327045567277,5.085981232870543,5.486732064697651,5.671914089354141,5.741040633301078,2.580690852182632,0.4309310033440053,0.0046615230557624,6.911029580022539,2.699996468403272,4.188953076642411,0.6344203362507764,9.169642877630585,21.679765948027136,0.7436564206816411,3.102037094640881,0.5203224415774604,21.8858975481877,6.723619461570923,16.46572902006507,0.419265371455058,-3.102035920095404,-0.5203223711047318,8.910255579124382,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.711195921699066,11.394470713159402,12.081866207329284,12.76364994969401,13.430855927385302,14.076207916875513,14.69436640745111,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_34,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0952675389499324,0.5850609249174579,1.6544376695022498,3.086626097989208,4.352137607243993,5.147891946675347,5.554939431050505,5.742796389275717,5.812882549748787,2.593890712559987,0.430476187095392,0.0046804884885204,7.036802833229203,2.751738658614914,4.202151774427981,0.6219411442207236,8.540316149535958,19.974353600597905,0.7154752158234301,3.038544983103692,0.4734727208666265,21.577207736853133,6.210994739576606,15.010530379407443,0.4079762063670601,-2.7098948662905262,-0.4537537138578365,9.27724735859833,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.71407962065276,11.397857666240732,12.085899863318565,12.768239965394809,13.43580082786592,14.081270248567984,14.699315010730905,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_35,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0964075414178668,0.6061583018684117,1.7544885460927293,3.202931666745591,4.417039105116592,5.169560718635951,5.553791080584552,5.731161584562392,5.797354610692438,2.7171203075699744,0.4422357937042389,0.0047358044542081,7.071849503438423,3.0203864120091186,4.200619591412567,0.7513567737350517,8.933723371493455,20.65130736410774,0.7557689296356844,3.7945999197868976,0.6144198096284472,24.6491529921337,5.710183406567556,13.83773416225407,0.3848241998246092,-3.2795821063888955,-0.583518740824567,9.81136379969069,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.846323832484645,11.503171615612828,12.164549569439007,12.821768090015386,13.4665437180701,14.091951564517286,14.69274736972951,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_36,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0951312342735303,0.5861029591577004,1.6541432231037632,3.064071786855523,4.304275480584063,5.085890239035799,5.486619714860278,5.671791615622476,5.740914339111299,2.5807129253949848,0.430967685337142,0.0046629587365012,6.910833338709909,2.700037243353856,4.188795921039933,0.6344295107430155,9.169300429391578,21.67892042436824,0.7436401899908323,3.1022223059965657,0.5203210432034739,21.88575045364829,6.723091448763297,16.46448157305572,0.4192183060899598,-3.1022181778424134,-0.5203207955142248,8.908875097613393,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.71228951007427,11.395597689692094,12.08301945623311,12.764823410877565,13.43204460924106,14.07740781845326,14.695574391290927,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_37,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0952847424268812,0.5850988894016874,1.6544791815526472,3.0866878874870887,4.352221792202544,5.147988623085415,5.555041585130152,5.74290082256659,5.8129877904615785,2.5939441410330786,0.4305119865376464,0.0046822186625673,7.037054714496576,2.751817603610525,4.202330445211625,0.6219807756000301,8.53869631375271,19.970533148183755,0.7153326348046583,3.038014004518321,0.4734180311117711,21.5733215665213,6.209682801352785,15.007388741208349,0.4078964462314386,-2.709422190488597,-0.4537025222699877,9.275874023592522,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.716181454221818,11.399894128681623,12.087880913779236,12.77017351441112,13.43769322086232,14.083126626058409,14.701139583538929,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_38,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0963949204426848,0.6061278392356658,1.7544370357597303,3.202761660966112,4.416689523490535,5.169078393139118,5.553237398162128,5.730574408904297,5.796754863072983,2.717003663953805,0.4422079616242358,0.0047345732308319,7.071171671743591,3.020043227833102,4.200297869519121,0.7512901136762896,8.931780192923787,20.64674284488928,0.7555178945256814,3.79196213903228,0.6142835427065402,24.640966199513908,5.710334102100936,13.837754379828366,0.3849695080239558,-3.276754753675741,-0.5833710995851479,9.819030739444882,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.848310278226837,11.505195623056212,12.166603947715306,12.823847666142846,13.468644646554566,14.09407089239248,14.6948827605922,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_39,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0951296700254471,0.586062891110345,1.6539843103542051,3.0635563209881536,4.3032307963197285,5.084457125969634,5.484980076031767,5.670055725984236,5.739142443699577,2.580354538939749,0.4309426871264625,0.004663073277116,6.909549094224918,2.6991811358007887,4.188283448346248,0.6342382739249657,9.169849003686773,21.680500975701136,0.7435733724601478,3.099662191811599,0.5202148238333941,21.88112698785364,6.725944868724638,16.471055057867677,0.4195352164420762,-3.0996493685830635,-0.5202140544396819,8.91960074713078,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.714753871969744,11.397212843861931,12.083964042434664,12.765228108223775,13.432007070408966,14.077002450963985,14.694858921368892,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_40,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0952788103209133,0.5850976895792256,1.6545135184286217,3.0866893882640283,4.352077010821858,5.147692041523191,5.554650164231235,5.742461849260975,5.812530476253439,2.5939714324289573,0.4305060128554817,0.0046817281515619,7.03644891093094,2.7519397668157244,4.201885770358013,0.6221298055229469,8.536791075611086,19.966083892505257,0.7150983480172134,3.035125532400152,0.4731926108101771,21.564682879435697,6.210327736287584,15.00845321177425,0.4080763140685849,-2.7062519487962016,-0.4534601957939402,9.283801521490558,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.716566690010442,11.399360299876806,12.086599853348206,12.768276214522952,13.43528167535259,14.080281641319004,14.6979261087681,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_41,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0963488723108495,0.6059784000809868,1.7541359905693987,3.2021284639704315,4.415608883789337,5.167675437372145,5.551663551408961,5.728920927765392,5.795071587409334,2.7165093090337296,0.4420845745330816,0.0047301075541096,7.068527272027274,3.018811283081084,4.198812854276708,0.7509563326801372,8.931608987868117,20.646617975276204,0.7554427798268032,3.790433279633268,0.614182923629688,24.636835174468448,5.711555715822271,13.840618411175289,0.3850985807014919,-3.275396612253462,-0.5832807235868996,9.823067209455989,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.842139903916156,11.49924825816898,12.160861452319084,12.818289272241614,13.463249108269254,14.088817832707225,14.689753414076224,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_42,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0950633316877457,0.5776069449031741,1.6446237314922925,3.120826001796442,4.425448637150173,5.238479719771194,5.652010941091639,5.8423439200847085,5.913272713235341,2.610819864602023,0.4259941058599585,0.0046912504102662,7.22957202108112,2.7466969459721886,4.318991743456589,0.5894996946798438,7.313633866501744,17.23236561714456,0.5940307463537065,2.629145977941787,0.4476928618335424,17.969817183637982,5.156451875169799,12.649824084067811,0.3233843792898992,-2.592098173146659,-0.4454699935458348,7.1439625010856975,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.866026262575176,11.564221166921042,12.264293367279896,12.956001086579954,13.63032388893122,14.280201241908916,14.900641292324169,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_43,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0936875098051285,0.5845162411193812,1.6495190531076438,3.013077035656482,4.177360718514104,4.900825528021163,5.269742196551201,5.439861467185316,5.503315037409502,2.5513422149107097,0.4288890270308642,0.0045221190051636,6.692752740077281,2.6376247068709664,4.060277009154835,0.6402673073119227,9.624417943301044,22.709863530773063,0.8069717260168021,3.7987589362633,0.5571140995057485,24.101611556384693,6.618767392894396,16.27548482968004,0.3815540302901813,-3.7987589362633,-0.5571140995057485,7.084903727319861,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.898096357037172,11.583629813184777,12.274316364680546,12.959530762900933,13.629784014855783,14.277537171379542,14.89735786647997,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_44,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0948178465363548,0.6001349939497623,1.757402754396481,3.2781163755745406,4.576856081434455,5.378725142029844,5.785619640765693,5.972763394012667,6.042486427934163,2.761905442286208,0.4374146648328453,0.0045856975324939,7.269701689268863,3.1057125052230834,4.327443228096664,0.76955166291269,9.224866963135948,21.57157745724851,0.792222895359021,4.7325587973553045,0.6852108630152007,25.78962471212718,5.095080565092015,12.781423782195226,0.2572977667290445,-4.719739786277706,-0.6844417223505449,4.392619566928116,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,11.020774660665198,11.684399195127767,12.351539990758722,13.013469213185209,13.661929968005136,14.290070967803382,14.89275013006344,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_45,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0950476866666282,0.5775693066147917,1.6445296390182893,3.120565697687356,4.4250026871461365,5.237902114670271,5.651361008898275,5.841659388011798,5.912575069108716,2.610623737305266,0.4259602818004362,0.0046897975423453,7.228841532286083,2.7461420386976982,4.318693596121744,0.5893267300590652,7.309491285178669,17.222412269469377,0.5936058933608864,2.626687916519433,0.4476003107798311,17.958745948876157,5.153816198405727,12.64326635598893,0.3233387336346044,-2.5894502335990817,-0.44536604980461,7.148059559824871,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.87659502864413,11.574979380907722,12.275188706591566,12.966994516132466,13.641385338566304,14.291307101813176,14.911772879371457,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_46,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0936781608029054,0.5845162153211539,1.6495845189504992,3.0131771145489283,4.177419387245539,4.900821474225515,5.269695615445693,5.439792983571599,5.503238023478323,2.551439320835703,0.4288809015496108,0.0045212955513776,6.692541840982904,2.6377796488246643,4.060199205083767,0.6403920536159847,9.617338056502524,22.69311837947738,0.8062425602936304,3.794424378679165,0.5568974686092144,24.08133566048232,6.614501316628717,16.26499847967917,0.3814530035940212,-3.794424378679165,-0.5568974686092144,7.089753392497956,41.0,98.4043,3.0,0.0,0.0,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,10.890358295793956,11.57685983272238,12.268337805548615,12.954210627500432,13.625020783907727,14.273252158864976,14.893489046172933,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_47,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0948464306528095,0.6002217802890079,1.7572527781018252,3.2768146274885663,4.574267781981419,5.375339979531842,5.78184259803822,5.9688098385062265,6.038467758823334,2.761067335550299,0.4374900502002964,0.004588424257642,7.264493907407772,3.1031174585828243,4.32497184554333,0.7692240535949078,9.224689909775382,21.57237106319604,0.7918549699183153,4.726054278362145,0.6850796665033896,25.772883354813303,5.100035696205321,12.793428501052787,0.257875588775708,-4.714276807723445,-0.6843730182650677,4.413708109109015,41.0,98.4043,3.0,2.0,0.1200000000000001,73.0,-6.0,-12.99876,-1.0,-14.0,-1.35,-40.0,RSM0239,11.027128477465167,11.690685748297328,12.357761890909591,13.019633423475783,13.66804559391898,14.29614770626186,14.898797307446369,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_48,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,5.75182689669907e-05,0.0122774434331076,0.1670126290896235,0.725493685649239,1.5375539999726502,2.170525982020685,2.5245829535357727,2.6942076274499462,2.758450197642533,0.4864828726093999,0.0053175050171647,3.9809987286406545e-09,0.9519804037814776,0.1372720785205829,0.6735342458511367,0.0019158047934788,14.415685743239791,32.970298977750595,1.3873390635018197,7.970199067567866,0.7344968430717017,42.49698538709215,-2.511591570741467,-3.418193193004593,-0.6193329878567664,-7.970199067567866,-0.7344968430717017,-26.36885779854604,31.0,76.958,2.0,0.0,0.0,42.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.4700000000000002,-71.0,RSM0239,20.621279037779125,20.848084649660407,21.02648790833304,21.16900230139801,21.284447376674706,21.37914784393975,21.45771618169797,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_49,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,3.970481221766364e-05,0.0181183240724182,0.3197732100774934,1.2805955059527794,2.4339579547503973,3.237334350736478,3.6637196936414496,3.863352319612906,3.9382507914877847,0.8953873723178419,0.0069615211524317,7.736755014229541e-10,2.130688014463314,0.4428463665894397,1.4199677102306116,0.0212767124659789,13.804009687492291,31.55229661320151,1.3457441584438723,8.118026151887728,0.7309199649122412,41.60032429668029,-2.5446441537722166,-3.6007400730715258,-0.6193334788490287,-8.118026151887728,-0.7309199649122412,-26.345700025188567,31.0,76.958,2.0,0.0,0.0,42.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.4700000000000002,-71.0,RSM0239,22.109944579394995,22.376630266438923,22.58366974793321,22.74737550896297,22.878912843078623,22.98610816828208,23.07456670275137,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_50,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,2.752800993534279e-05,0.0141769895223679,0.24996997998423,1.0806972273099011,2.186648432946304,3.000130949639782,3.442220259733495,3.651273906694616,3.730020874168172,0.7346932530738269,0.005441788436662,3.4042572708336027e-10,1.870125467237481,0.3535901968831175,1.2403803544227308,0.0105478918156199,14.632469848115228,33.15347727421265,1.4710510393556102,8.770934199317786,0.7215465856993258,46.528474463518855,-4.499378384993955,-7.997914280055003,-0.8173032030252058,-8.770934199317786,-0.7215465856993258,-32.79976990058036,31.0,76.958,2.0,0.0,0.0,42.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.4700000000000002,-71.0,RSM0239,21.3627157143397,21.59797241186893,21.780359440520435,21.92441759227776,22.04007007020977,22.134256387718622,22.21193725514056,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_51,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,5.75529431436887e-05,0.0122889912549331,0.1671202881589704,0.7256986239787685,1.53786310719131,2.170937867327865,2.5250604291794105,2.6947183794509506,2.7589738482496844,0.486658009040442,0.005322169924991,3.984505521065847e-09,0.9524924971729832,0.1374513353652204,0.6737116793341442,0.0019169781414853,14.410995653453476,32.95793060149658,1.3871525918077747,7.970763829167207,0.734271349156497,42.49650834754255,-2.520648760802088,-3.439952660700914,-0.6200334374431689,-7.970763829167207,-0.734271349156497,-26.387006105885835,31.0,76.958,2.0,0.0,0.0,42.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.4700000000000002,-71.0,RSM0239,20.65824493392494,20.88541353760564,21.06409635586173,21.206830436109165,21.322451171539115,21.41729423081135,21.49597985893628,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_52,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,3.9660577576158175e-05,0.0181054932733114,0.3195549583537126,1.2798073364748532,2.4325651763283096,3.2355449802970204,3.661724982656792,3.8612624384408623,3.936125347775816,0.8948167895069641,0.0069564796603967,7.715572464501523e-10,2.128766170570303,0.442364977005953,1.418686102411007,0.0212387859080078,13.80121717159459,31.545053654362007,1.34563102617563,8.118779847195773,0.7308342733818715,41.59991792942319,-2.549323470690133,-3.6120460597102233,-0.6197024003108262,-8.118779847195773,-0.7308342733818715,-26.35541678626232,31.0,76.958,2.0,0.0,0.0,42.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.4700000000000002,-71.0,RSM0239,22.1260113575153,22.39238069023136,22.59917227596645,22.762680628951244,22.894058462933188,23.001123228138983,23.0894736359944,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0239_53,RSM0239.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,17.0,35.453,3.0,17.0,3.16,102.0,2.7425767716308205e-05,0.014151870444411,0.2497639612535899,1.080290689435809,2.1861977981208307,2.999702339039417,3.441813810168456,3.6508797417507326,3.729631595772787,0.7343374309398578,0.0054304911380913,3.380371611552925e-10,1.869862746154349,0.3536496098871413,1.2399581709174152,0.0105358339278791,14.622139417944682,33.12935394319033,1.4701120210572058,8.765170841995634,0.7209410392690165,46.50087154135815,-4.500553675422065,-8.00235408599499,-0.8171064892815528,-8.765170841995634,-0.7209410392690165,-32.78775537406944,31.0,76.958,2.0,0.0,0.0,42.0,-16.0,-34.445060000000005,-2.0,-16.0,-1.4700000000000002,-71.0,RSM0239,21.39233474281453,21.62736800834318,21.809576837452244,21.95349120498167,22.069026335711875,22.16311584056223,22.240716027780703,Cl[Cd].Cl[Cd]Cl.[Cd].[N]1C=NN=C1pcu.cat0,"linker [N]1C=NN=C1, nodes Cl[Cd], Cl[Cd]Cl, [Cd], topology pcu"
RSM0885_0,RSM0885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0050998434262419,0.1981529924118487,1.1642502094139568,3.156722929388357,5.365175290478259,6.901346207232487,7.721395104113821,8.10671838479179,8.251521411122832,2.3986627755635825,0.1119814884643228,7.68518524780168e-06,8.98981042211339,2.9931292316599736,5.432064938699637,0.4171913720830589,21.234447764440016,47.65213898007968,1.935289360434093,3.938005434737264,1.7023938662517086,54.27878841788674,-21.234447764440016,-47.65213898007968,-1.935289360434093,3.6367921369877294,1.7023938662517086,-54.27878841788674,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0885,20.799958793934003,21.20929113671693,21.53380913731053,21.794965174513464,22.00795274833499,22.18374175614724,22.33039261191345,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].cat0,"linker [O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-], nodes [Zn], topology "
RSM0885_1,RSM0885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0048735161799952,0.2003656287188787,1.1809651215630566,3.142377128896616,5.276090772195857,6.751598660012366,7.537963608904485,7.907269410450135,8.04602889689348,2.402726824350136,0.1124256905403909,6.805822933067866e-06,8.647456078775987,2.9619434205855644,5.221627522508133,0.4354895361192545,22.00358860822024,49.36375954491347,2.011481726406993,4.177972534844977,1.7284328556221007,56.51515715361335,-22.00358860822024,-49.36375954491347,-2.011481726406993,3.4674011398103723,1.7284328556221007,-56.51515715361335,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0885,20.5066670966752,20.962780226697973,21.324049194202026,21.614504347845426,21.85117239698649,22.04634274646288,22.20903884762497,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].cat0,"linker [O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-], nodes [Zn], topology "
RSM0885_2,RSM0885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0051036462427311,0.1982006510265563,1.164332664256543,3.156783198847728,5.365196752417723,6.901342391489411,7.721378885525585,8.106696617790254,8.251497605512174,2.3987350917002503,0.1120163603169683,7.69846413736898e-06,8.990015597478488,2.9932750414095257,5.432263697528265,0.4172750995921792,21.2345435896914,47.65234447373546,1.9353027437784385,3.938096635775621,1.7023776509647135,54.27925055263817,-21.2345435896914,-47.65234447373546,-1.9353027437784385,3.636596396134507,1.7023776509647135,-54.27925055263817,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0885,20.78894696216501,21.199939930178743,21.525784781770124,21.788013644923726,22.00187861003841,22.178392900270552,22.32564927791144,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].cat0,"linker [O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-], nodes [Zn], topology "
RSM0885_3,RSM0885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.004875095530028,0.200400469721249,1.1810848339663218,3.142591006670572,5.276382351101267,6.751939971291617,7.538331144144435,7.907649278384614,8.046413406476924,2.402909670125084,0.1124476851364412,6.812214199281116e-06,8.648482457549111,2.962477483367342,5.2220795630540735,0.4355730380164846,22.003588419880813,49.36375752420136,2.0114828967494454,4.177990764575631,1.7284286482483695,56.51521848352239,-22.003588419880813,-49.36375752420136,-2.0114828967494454,3.467357176875233,1.7284286482483695,-56.51521848352239,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0885,20.51960068774641,20.97372342545032,21.33341385870417,21.622599768986817,21.858234210383568,22.052552998286888,22.21454004925585,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].cat0,"linker [O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-], nodes [Zn], topology "
RSM0885_4,RSM0885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406971470816333,0.5213584389368378,1.7201698878319622,4.135434640475924,6.703327513877949,8.442519183042643,9.3594844247828,9.788027665392631,9.948718404884088,3.2287566482462258,0.4005969043281722,0.0200609075267914,16.440491437785656,5.257115192517481,9.740705367828433,0.7112178179121926,3.869340428328613,8.413698130421396,0.6639942798749535,9.031315348561732,0.4528348154764422,27.22574178979248,3.869340428328613,8.413698130421396,0.6639942798749535,9.031315348561732,0.4489067856992241,27.22574178979248,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0885,2.717638803158661,3.375661660272172,4.062932730621915,4.7608231905665415,5.454572178924539,6.133346839684171,6.789816337848224,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].cat0,"linker [O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-], nodes [Zn], topology "
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RSM0885_83,RSM0885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683531209669781,0.393294854017847,1.4769261494106511,3.691496252077074,6.077785572104078,7.700324317552798,8.556728050211516,8.957117225001012,9.107271635980007,2.85475940810852,0.2833897235232806,0.0046756893944221,12.255785892225388,4.096423682028957,7.229067912670727,0.6649047389738505,7.375422962278448,16.18426245591483,0.7434165828995087,6.324834362280352,1.0134169673780595,25.76276927573092,1.680710437149298,4.142887586984335,0.0798682715939226,-6.324834362280352,-1.0134169673780595,2.538578380035402,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0885,14.380702382654938,15.23289543571092,15.986401770451376,16.65716062446713,17.257708030472504,17.79798016479013,18.28595298811372,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].cat0,"linker [O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-], nodes [Zn], topology "
RSM0885_84,RSM0885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0710987385456109,0.403816847579111,1.4163978624611355,3.429717753815226,5.644998184545621,7.179075391024487,7.996574080903751,8.380451891433902,8.524677520840596,2.665554130592847,0.2932920502456237,0.0049759814751464,11.014101246667671,3.5522680799557382,6.591869164744235,0.6004093240274595,7.338094329897357,16.1063652094637,0.731221844688868,6.099863856215785,1.0084103641136324,25.433051576416325,1.8346183222341328,4.48245544462013,0.1026611236867221,-6.099863856215785,-1.0084103641136324,3.4334263413412205,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0885,13.816872940859287,14.693597741396008,15.473243646156975,16.170183903379762,16.796157799465636,17.360736762869088,17.87176071067101,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].cat0,"linker [O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-], nodes [Zn], topology "
RSM0885_85,RSM0885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0621228206467359,0.3665166423848362,1.3930124902214442,3.568819563644324,5.968399365063028,7.616675616398357,8.490185407268926,8.899231999457625,9.052730251992829,2.73850439707342,0.2639261179912092,0.003890960295863,11.7272278085617,3.770533726216954,6.969173216692628,0.5663219091297751,9.01948897750861,19.97554529101049,0.8431777619599297,4.722152304898662,1.05236944528029,27.55894566731873,5.271140016748241,12.100810805071315,0.4559703284270567,-4.722152304898662,-1.05236944528029,14.00668549366818,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0885,14.074115950560204,15.003367475020434,15.823453642921114,16.55112258331006,17.19976496972101,17.78020790626522,18.301332230156003,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].cat0,"linker [O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-], nodes [Zn], topology "
RSM0885_86,RSM0885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0720522881666167,0.3960226353133222,1.3869236370319238,3.3782094319269578,5.528748806948332,6.990399187039223,7.761105582741954,8.121200423365302,8.256203565389393,2.6251380624379954,0.289457408546052,0.0051594340257649,10.934509371358695,3.435223872672715,6.65173068862502,0.6005229996554495,7.039324343720333,15.428193745668237,0.7190177361301695,6.392145316020792,0.9844259631188684,25.03299438024848,1.242149783826708,3.160177222638552,0.0338435481922887,-6.392145316020792,-0.9844259631188684,1.0518978024226515,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0885,14.401985028872232,15.23595532655489,15.973833463132564,16.63099752430335,17.219751248907798,17.749922362790468,18.22940369440838,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].cat0,"linker [O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-], nodes [Zn], topology "
RSM0885_87,RSM0885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0604111158707442,0.3691465153563456,1.4061442931882608,3.5240108918935955,5.814175200226286,7.374897018108681,8.1994208493941,8.585037963260694,8.729671262526493,2.7230082219736023,0.2638682852042506,0.0036731352310485,11.052329746635266,3.681337224143181,6.507351179841489,0.5945610306058677,9.469577222019618,21.00213560112308,0.8853647761505538,4.665764776076265,1.068061576622969,28.4689609519222,5.91325068464222,13.5257403864999,0.5130741244550681,-4.665764776076265,-1.068061576622969,15.438788142580204,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0885,13.790603320291147,14.76716438765316,15.628781240232223,16.39228461950298,17.07148147510818,17.677751489774533,18.22056230759121,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].cat0,"linker [O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-], nodes [Zn], topology "
RSM0885_88,RSM0885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0664746413711672,0.3813221487250986,1.31878399954499,3.15632599560221,5.114242595574841,6.437073208673861,7.133021779111044,7.457914345219978,7.579681224185251,2.465365521939195,0.2779188016684567,0.0043517176135506,9.815308044356865,3.04241413638804,5.928803951717627,0.4721366261758891,7.017719795183207,15.328449495466272,0.731814210162822,7.162718010895698,1.0370442316024753,26.02054500115532,0.3710649249921996,1.2562151751288957,-0.0601065083286941,-7.162718010895698,-1.0370442316024753,-1.6966801460477514,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0885,13.64665160510509,14.572282416738089,15.394911341202356,16.12896669240607,16.786506644142534,17.37755169478764,17.91045289226857,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].cat0,"linker [O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-], nodes [Zn], topology "
RSM0885_89,RSM0885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0687086394263183,0.3834894656132468,1.4391314251764242,3.6686049975844495,6.0834215331876935,7.717279991219784,8.575985349162314,8.97652961778393,9.126589025920032,2.8219508497124366,0.2783735579490139,0.0047534148794007,12.381836868626452,3.998313430569283,7.427532210707211,0.6432504138970819,6.973985400601842,15.267221488143557,0.69369827625601,6.169272094512538,1.0084517957706285,24.777804242085136,1.249225737928892,3.1903739640078443,0.0538663727013295,-6.169272094512538,-1.0084517957706285,2.383687617671318,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0885,14.806854291194098,15.618305097210945,16.33585261845119,16.974768933002423,17.547045151072066,18.062161959063825,18.52770851809303,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].cat0,"linker [O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-], nodes [Zn], topology "
RSM0885_90,RSM0885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0666441669369426,0.3836160160503573,1.3814135064750792,3.4738471132448674,5.791400081359883,7.382843718199092,8.225290541258223,8.619514398349787,8.767402165529752,2.6736210969698018,0.2786862049628517,0.0043834526787913,11.579706332293588,3.6410676082377336,6.964454360486075,0.5323858433386425,7.437760520835723,16.29225629697833,0.7624488947722301,6.894468486303788,1.0498513549852435,26.638341062816032,1.1589118462004566,3.003600043370157,0.0190667749583317,-6.894468486303788,-1.0498513549852435,0.6199668693295939,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0885,13.607410129948631,14.550752461026663,15.385387920430004,16.127419185793595,16.790122208756614,17.38438534167553,17.91917172252103,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].cat0,"linker [O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-], nodes [Zn], topology "
RSM0885_91,RSM0885.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0683739656155961,0.3933731502794673,1.4771001805611932,3.691728526463125,6.078006748007631,7.7005173168715,8.556902177130022,8.957281823797668,9.107432561257236,2.85498107075024,0.2834508304902818,0.0046783773756732,12.256433182799483,4.097148557153823,7.229155843710176,0.6650902579308491,7.376323395552648,16.186322214773163,0.743478359474667,6.324251078428348,1.0134545878907233,25.76413002429946,1.6823696776400578,4.146573202049548,0.0800391926337609,-6.324251078428348,-1.0134545878907233,2.54375918486775,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0885,14.394855374392831,15.245578836443864,15.997798201218371,16.667432130954886,17.266995760439276,17.806405977307474,18.29362170226769,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].cat0,"linker [O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-], nodes [Zn], topology "
RSM0020_0,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0051805535986465,0.1951829257119858,1.1619022006715003,3.0798877049461177,5.02148306365583,6.290802050543946,6.947902461787366,7.252434970089226,7.366226336807502,2.371063977296182,0.1107769068369289,7.582503116240487e-06,9.592164793368456,2.543537490244405,6.324490084921876,0.3655679065647029,22.37032051589553,50.214493158512624,2.1745590486414783,5.588981312611541,0.802446874322317,69.26872611997047,-22.37032051589553,-50.214493158512624,-2.1745590486414783,-0.6103347640313785,0.802446874322317,-69.26872611997047,0.0,0.0,0.0,4.0,1.14,0.0,-28.0,-62.53806,-3.0,-10.0,0.0,-101.0,RSM0020,17.860087092978073,18.32265971742411,18.689377528214603,18.984390106421664,19.22489498203063,19.42333149705316,19.58883983002288,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_1,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0051861998575795,0.1952906330579878,1.1623648526085553,3.080826058095478,5.022693174311582,6.292109329474588,6.949239815334003,7.253782048037562,7.367576394736889,2.371855572838956,0.1108457276310919,7.598808705305313e-06,9.595158006459908,2.545303073587456,6.325929969425594,0.3659368312844647,22.368951829831,50.21142937025535,2.1744184633266506,5.588557940063029,0.8024168668692616,69.26410053831093,-22.368951829831,-50.21142937025535,-2.1744184633266506,-0.6100471269856127,0.8024168668692616,-69.26410053831093,0.0,0.0,0.0,4.0,1.14,0.0,-28.0,-62.53806,-3.0,-10.0,0.0,-101.0,RSM0020,17.76946732326076,18.24489060008776,18.6221017488157,18.925738997521663,19.173387473703134,19.377788639906345,19.54831704115294,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_2,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437750517256927,0.4707307393388359,1.2268698801035318,2.67678842570611,4.173703159048396,5.160383575996856,5.672739447481732,5.910480690343315,5.999357754030901,2.1365077170826288,0.3793063187181997,0.0210690539043772,8.210818894655267,1.8105072455219808,5.569354207946483,0.1692032284682161,3.6370443941593233,8.009014696654779,0.566028896709245,6.165258927055322,0.2544406299929612,22.913003557519986,3.6370443941593233,8.009014696654779,0.566028896709245,6.165258927055322,0.2258689636961331,22.913003557519986,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0020,3.642406169039908,4.364940917386775,5.094581053731979,5.814512690198767,6.5128678781012255,7.181983685607894,7.817541053904672,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_3,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437499756601979,0.4706775063947109,1.2265814055307125,2.6761353838245348,4.172877813812286,5.159524939391967,5.671883585272797,5.909630276301611,5.9985100207171165,2.135963623357369,0.3792656734568094,0.0210617251455372,8.2089834613843,1.809361069157561,5.568443679586871,0.1689835000132411,3.6400992057192414,8.015697540831036,0.5663524232905051,6.1679170915672925,0.254752077049772,22.92257947113808,3.6400992057192414,8.015697540831036,0.5663524232905051,6.1679170915672925,0.226137769900115,22.92257947113808,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0020,3.66152078179562,4.384074823819881,5.113742816070486,5.833709394517004,6.532103338539613,7.201258783421098,7.836854628623572,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_4,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437455229755591,0.4705964915144142,1.2252020410405788,2.671043120345549,4.163769566969225,5.147769215598913,5.658752611328032,5.8958605180972965,5.984501306371473,2.1323038295046266,0.3792331607899378,0.0210603877002569,8.188796195428942,1.8029100077827471,5.553761069478911,0.1671605916991244,3.6333107306933927,7.999005504030611,0.5645839881381032,6.162618429717483,0.2577903318236784,22.821189573069365,3.6333107306933927,7.999005504030611,0.5645839881381032,6.162618429717483,0.2293994145939535,22.821189573069365,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0020,3.654643081027626,4.377344423140787,5.107068445182082,5.82701589696754,6.525331835895304,7.194364928412353,7.829806325012788,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_5,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437472198585776,0.4706029486430721,1.2253364976691703,2.6714322113510702,4.164326602778437,5.1483998735461824,5.659412796455621,5.896532671322905,5.985177670797738,2.1326099380863326,0.3792358094718062,0.021060910928828,8.190136673794557,1.8036216898019093,5.554307234774683,0.1672332350287888,3.633232569328386,7.999008115114987,0.5645820939362973,6.160642403830004,0.2574368462532575,22.82283740572391,3.633232569328386,7.999008115114987,0.5645820939362973,6.160642403830004,0.2290190331534181,22.82283740572391,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0020,3.665257578528928,4.387991459896519,5.117743417325527,5.837714273645787,6.53604965119192,7.205099221992028,7.840555238652822,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_6,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437655667176449,0.4707197308130986,1.2268596034517472,2.676770745260736,4.173671948919891,5.160340887996001,5.672690119170844,5.9104281367656455,5.999303972260538,2.136493556709278,0.3792948203780385,0.0210662643077092,8.210812580159978,1.810468583948628,5.5693785523781605,0.1691955841822707,3.6368141206110254,8.008485740731025,0.5660026712077595,6.165317293328381,0.25446736760486,22.911951241137704,3.6368141206110254,8.008485740731025,0.5660026712077595,6.165317293328381,0.225902821934221,22.911951241137704,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0020,3.645387304451527,4.367924659437794,5.097564494318158,5.817494249511054,6.515846808689969,7.1849597432436685,7.820514286141269,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_7,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.143750115454352,0.4706803069145972,1.2265818340471115,2.6761268392996738,4.172865046476021,5.159511372295368,5.671870067346098,5.909616874618002,5.998496676778515,2.135957816333212,0.3792676755890458,0.0210617253305022,8.208984932682458,1.8093235700234405,5.568481888786687,0.1689787965467641,3.640362106919615,8.016289203712462,0.5663827032644384,6.16800076517352,0.2547458619358948,22.923695646381905,3.640362106919615,8.016289203712462,0.5663827032644384,6.16800076517352,0.2261255338235862,22.923695646381905,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0020,3.660573936700349,4.383134793467999,5.1128104083216765,5.832784354630824,6.5311847998258825,7.200345594936436,7.835945566769485,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_8,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1437988044463456,0.470678174183483,1.2252776706274788,2.671083478694817,4.163780149545394,5.147764285994213,5.6587407423055565,5.895845665288907,5.984485374884888,2.1323569155851976,0.3793110611045243,0.0210758119956564,8.188852915318973,1.8029435996276508,5.553757501710936,0.1671639294454418,3.6334323360712704,7.999246288070559,0.5646065774716743,6.163214413240238,0.2578522638095614,22.821946047916487,3.6334323360712704,7.999246288070559,0.5646065774716743,6.163214413240238,0.2294655417723552,22.821946047916487,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0020,3.651677124653807,4.374376714936418,5.10410070869276,5.824049061071414,6.522366349061424,7.19140095347917,7.8268438598171,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_9,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.14374719509024,0.470600747517038,1.225320113453079,2.671408010103477,4.164313295918696,5.148399569290078,5.659420507570608,5.896544346493718,5.985190864669751,2.1325857833087727,0.3792347513173748,0.021060910918012,8.190011670488449,1.8035751568479823,5.554236389675522,0.1672295013142933,3.6333007124576286,7.999165843026174,0.5645879858195243,6.160573721481757,0.2574266777397062,22.8230449023046,3.6333007124576286,7.999165843026174,0.5645879858195243,6.160573721481757,0.2290062366321052,22.8230449023046,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM0020,3.666192327376857,4.388910372586432,5.118646830525746,5.838603698088948,6.53692716570772,7.20596707265342,7.841415599998086,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_10,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2286535738633593,0.9323414804401682,2.123473953950123,3.720593074025533,5.188493097120862,6.130182794252767,6.616175486703236,6.841330231688027,6.925463660145427,3.16223300421835,0.737049526212841,0.0249255551176272,9.514709077506613,4.981362111004427,5.44188788396019,1.6658336478208888,2.085193894319916,4.549435948739464,0.378768172080362,5.115339270962812,0.2263318468479985,18.001332913206824,-1.7024878264837042,-3.785554637338384,-0.378768172080362,-4.732633203126601,-0.0388058736082546,-18.001332913206824,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0020,8.216384792183272,8.941139021131768,9.657058481783068,10.358431797568128,11.039856376087595,11.696801035935742,12.325842538822547,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_11,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.228652460642589,0.9323753672608556,2.123475820265176,3.7205126372143495,5.188427712852106,6.130169859910295,6.616199950049103,6.841374073456203,6.925515053251445,3.162171666319121,0.7370759727148324,0.0249203753922151,9.514477054202455,4.98123562489583,5.441822590446165,1.6658283050524745,2.085667202045016,4.550406594797688,0.3787935190228764,5.116015354228026,0.2265105390540172,18.004206390682608,-1.7022679881837486,-3.785141763930599,-0.3787935190228764,-4.732616140366759,-0.038644924261996,-18.004206390682608,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0020,8.287369753057341,9.01256140659867,9.728749421128157,10.430291148329534,11.111823962933467,11.768840299798743,12.397931058416663,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_12,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2286752500422721,0.9324583262950606,2.12388481634937,3.720642096283949,5.187104417044791,6.127457239067212,6.612663260329012,6.837434347606769,6.921421505424499,3.1625633101392454,0.7371360629058683,0.02492195998974,9.508634420411967,4.985126344126618,5.43590263753239,1.6665505188865626,2.0835231637668685,4.5457705160204425,0.3784448757692646,5.1110821699209845,0.2261921111303097,17.986513334219634,-1.7009255939257777,-3.7821057666176254,-0.3784448757692646,-4.728484600079895,-0.0387193019081752,-17.986513334219634,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0020,8.25124873119904,8.97648464761404,9.692748737699636,10.394373303550791,11.075986754209742,11.733079600762068,12.36224343678662,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_13,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2286592124656073,0.9324282933005336,2.1239374219400826,3.720835770632027,5.187370005965241,6.127743289284925,6.612953743754154,6.837725665414915,6.921712950252579,3.1627142373761594,0.7371045918437439,0.0249206050650081,9.509593608431402,4.98553719386395,5.436264374519363,1.6666133417951876,2.083739779631649,4.546241816658323,0.3784829446923523,5.111603337170467,0.2262183081655684,17.988357792005296,-1.7010896672918732,-3.782472192428129,-0.3784829446923523,-4.728953224830692,-0.0387197531190778,-17.988357792005296,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0020,8.284634442180428,9.009589686777712,9.725551166871655,10.426889768160729,11.108249275745148,11.765124047964,12.394104136459172,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_14,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2286501975177187,0.9323604368653924,2.1235160187248883,3.7206164037555007,5.188484397784879,6.130152236779605,6.616133673063797,6.841283234214768,6.92541473196007,3.1622662519045504,0.7370614606577219,0.0249229185455895,9.514738064872782,4.981445357008769,5.441902258578815,1.6658884243312695,2.085105461389445,4.549249215195512,0.378758178127987,5.115170886413341,0.2263095020120551,18.000690869506965,-1.7024763198904251,-3.7855214487634687,-0.378758178127987,-4.732541744914322,-0.0388212226775354,-18.000690869506965,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0020,8.22538943629789,8.950182814830994,9.666134140543187,10.367533594007943,11.048979746618995,11.705942323784594,12.33499880587491,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_15,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2286626954279565,0.9324017490439438,2.123502478397806,3.7205276100268097,5.18843766167145,6.130180225013754,6.616211510883883,6.841386394370933,6.925527690153602,3.16219036347393,0.7370996089377215,0.024921380210434,9.514523978194903,4.981283488701945,5.441865066236916,1.6658627699028246,2.085710069019582,4.550499863235429,0.3788010534948018,5.116118496977996,0.2265157214805112,18.004571414993947,-1.702300465928436,-3.785214295465502,-0.3788010534948018,-4.7327088938868505,-0.0386450159658497,-18.004571414993947,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0020,8.284713219243201,9.009884662553956,9.726056477092753,10.42758562322428,11.10910885015872,11.766117952890982,12.39520326786694,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_16,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2287175636639729,0.9324936377746292,2.123875581041788,3.720596652071096,5.187041150045082,6.127386122007463,6.612588713550927,6.837358315714018,6.921344933012091,3.162527744830993,0.737177692682617,0.0249363735400655,9.508354612621645,4.985087540258845,5.435747568076968,1.6665886458221488,2.083482115318901,4.545684012310515,0.3784404064824477,5.111005367178483,0.2261813828931211,17.98621870624346,-1.700921949505576,-3.782093921347118,-0.3784404064824477,-4.728445201365158,-0.0387269016445919,-17.98621870624346,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0020,8.24200852656276,8.96722509175634,9.68347561804307,10.385090621565464,11.066697377417874,11.723785632211648,12.35294643928188,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_17,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2286538172968433,0.9324121059961994,2.123904790703627,3.720788181216348,5.187327074326169,6.127711170995188,6.612929107273574,6.837704877632151,6.921693658825015,3.162669557569891,0.7370907765276462,0.0249201811830962,9.509367483411712,4.98540193630209,5.436147813637792,1.6665639526526028,2.083756300026361,4.546276268202449,0.3784843886638439,5.111631409337111,0.2262233708188444,17.988469273408683,-1.7010875866120785,-3.782469516227542,-0.3784843886638439,-4.72896269592283,-0.038715701245846,-17.988469273408683,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0020,8.287384586096664,9.012385363047937,9.728382988548177,10.429749939595183,11.11113143429539,11.76802308077195,12.397015988036385,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_18,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1057462672637059,0.7322586045528704,2.1451796785943125,3.978009646933426,5.503937563505713,6.430975795815765,6.898103196763842,7.112335897075456,7.192061182539609,3.361178247727658,0.5312233417455008,0.0039184804029797,11.331826907798426,5.057820634386719,7.141083146232329,1.6228509228506078,0.9514039495123912,2.09171702754042,0.1884261648027762,2.458813267934601,0.0704929891752414,8.525543043617482,-0.9328576985153716,-2.054698710550369,-0.1884261648027762,-2.440267016937582,-0.0614053261867018,-8.525543043617482,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0020,7.596367879805595,8.321202040554184,9.039381546856305,9.748109056308364,10.443774694052292,11.122531601265988,11.780772339078997,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_19,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1057459947101753,0.7322464486985145,2.145119870807912,3.977881950329118,5.50375479253391,6.430760920485078,6.897872676055861,7.112098337617375,7.191821026814819,3.3610733168344926,0.5312161130637013,0.0039186195856865,11.331376632900083,5.057442384183366,7.140905974250044,1.62272296100067,0.9514759461119988,2.091848920278296,0.1884146151968657,2.4587928676869244,0.0705525216814614,8.52567203449731,-0.9326702058566584,-2.054312662728636,-0.1884146151968657,-2.4399871274315834,-0.0613377089563444,-8.52567203449731,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0020,7.587046537155618,8.312762433277586,9.031737046052976,9.741183355831875,10.43749759932328,11.116837972258228,11.775602050412912,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_20,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1057678671290574,0.7323187939438307,2.14523724009653,3.978045626961052,5.503966753877882,6.431006051101151,6.898135176885166,7.112368894915822,7.192094592618641,3.361220293507867,0.5312773074112276,0.0039201720596173,11.331824460035271,5.057988828397186,7.1409808580651335,1.6229172529512963,0.9512828946284756,2.091453857051985,0.1884050993131797,2.458523689133912,0.0704779098102756,8.524516459405971,-0.9327680985033212,-2.0544983239861767,-0.1884050993131797,-2.4400088930087582,-0.06140565970895,-8.524516459405971,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0020,7.5963491856599745,8.32118973049802,9.03937369329572,9.748104280932695,10.443772044400516,11.12253043051658,11.78077221104909,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_21,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1057515460586301,0.7322674441904176,2.145152655986652,3.977911365119473,5.503782078665509,6.430789619079501,6.897902958357292,7.112129539489888,7.19185260144171,3.361104467072602,0.5312331652368406,0.0039190435465204,11.331450869986966,5.057547963466421,7.1409192678170506,1.6227647560934788,0.9514095492131326,2.0917045645512857,0.1884030508837586,2.458633956283202,0.0705442722585417,8.525108763740835,-0.932620959624454,-2.054202539732283,-0.1884030508837586,-2.4398453666945232,-0.0613378633600891,-8.525108763740835,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0020,7.587063598637068,8.31276110470086,9.031720866695906,9.741155369629215,10.437460375458238,11.116793653394875,11.775552407152146,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_22,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.094226265594597,0.6152197314529106,1.8902118865998585,3.767388310199675,5.47144418872117,6.547616463805854,7.098475115484488,7.352734340790525,7.447596722940739,3.1109210836995085,0.4460074996237866,0.0044403704639513,10.549972202773334,4.420793478244462,6.19554876052262,1.0547574056540443,5.126175072580922,11.408077315277172,0.5032209498476292,2.872115658216884,0.450289468781419,17.918730040586492,3.000659885606818,6.891818823093277,0.235582228169438,-2.872115658216884,-0.450289468781419,7.213181173458849,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0020,9.29630466038363,10.087168402249274,10.860411640674126,11.610856159669074,12.333281396534886,13.023357583496866,13.678017796467527,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_23,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0942606652034529,0.6153683333847814,1.8905386840690832,3.767873518595117,5.472042397695185,6.5482872336371365,7.099185130917747,7.353463090513481,7.448332570832449,3.111358225093462,0.446123498888597,0.0044433182681119,10.550756346328804,4.422336540178228,6.1959028949513,1.0553466446887991,5.125598700549627,11.406830634802205,0.5031632318151746,2.871430759318266,0.4501847691370093,17.915987823636932,3.000779152777472,6.8920362010763006,0.2355983912145615,-2.871430759318266,-0.4501847691370093,7.213394199612409,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0020,9.307247559004772,10.103566322361043,10.881265712301104,11.635385134537708,12.360868072037997,13.053509832515136,13.710339781371662,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_24,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0942908672047228,0.6155091355055254,1.890930582361087,3.767693457784409,5.470687093860574,6.5460566495654415,7.096490451730509,7.350552534422246,7.445341325827725,3.11149704914362,0.4462230812958035,0.0044462337074362,10.54569515955502,4.424259332250515,6.192105069985383,1.05588986514597,5.092143387795567,11.331751208638472,0.4995802248679432,2.85333816943826,0.4483602650290109,17.80222965254671,2.977258634593772,6.838818228077535,0.2340017771674513,-2.85333816943826,-0.4483602650290109,7.17909174452704,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0020,9.320470829131718,10.11364548995778,10.888762259298153,11.640731673829295,12.364407886428465,13.055521521633496,13.711053044469478,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_25,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0942774323930557,0.6154955040139978,1.891029964058759,3.767927999962565,5.470923624143,6.546239702067568,7.096632098547131,7.350672161031053,7.44545228785306,3.1116992301546507,0.4462033353842892,0.0044447874459812,10.546330919641402,4.424987766653154,6.192072590212919,1.055990667011936,5.096665636774398,11.34206294669998,0.5000976534727981,2.854822351743868,0.4483411676765127,17.815449089656116,2.9820249092187865,6.849422260805483,0.2343287597993096,-2.854822351743868,-0.4483411676765127,7.184693342716574,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0020,9.282811026876788,10.081581883270989,10.861439255705667,11.617466447795923,12.344645306612962,13.038803009704448,13.696994832556024,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_26,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0942181594713698,0.6151996112942144,1.8901935117474105,3.76737042557693,5.471419582511754,6.5475852639920005,7.098440027408477,7.352697359257716,7.447559020219738,3.1109041240265483,0.445989020651125,0.0044395500558357,10.5499869658835,4.420712376091993,6.195579637916083,1.054718216623867,5.125981097000865,11.407638779988522,0.5032114451650433,2.87224090304728,0.4502776218400038,17.91846725683413,3.0003423510006937,6.891105546719825,0.2355452319260075,-2.87224090304728,-0.4502776218400038,7.211818727272701,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0020,9.299467242252229,10.090398004230952,10.863698718998725,11.614193814326743,12.336664416741767,13.026781852341545,13.681479919087431,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_27,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0942709156084996,0.6153966959695163,1.890573605658372,3.767900197140994,5.472055993195331,6.548290376135146,7.099182304587088,7.353457373452874,7.448325753765513,3.111388707691528,0.4461482771156344,0.0044443228747829,10.55087317128989,4.422398284631193,6.195977323381378,1.055373175192276,5.125462360397161,11.40652459511105,0.5031466939919668,2.8713233988962217,0.4501784970616104,17.915468052872217,3.0007067746385347,6.891872251765031,0.2355959546476418,-2.8713233988962217,-0.4501784970616104,7.213438479099218,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0020,9.30609651110688,10.102520379564096,10.880312993046532,11.634514139523954,12.360068008311224,13.052770834985957,13.70965302335002,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_28,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0942729036751919,0.6154674582445561,1.890897401750968,3.7676775274092793,5.470680717987434,6.546055057091748,7.0964911874788426,7.350554338155575,7.445343528180622,3.11147611327677,0.4461841945164571,0.0044445040237462,10.545631186024602,4.424195232451576,6.192108162720206,1.055857384082444,5.091985421691113,11.331387110556934,0.4995806752705377,2.853651391187737,0.4483567293336879,17.802393247805952,2.97681149117294,6.837819748781526,0.2339463168080125,-2.853651391187737,-0.4483567293336879,7.177018909304943,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0020,9.316988372923213,10.109952797606915,10.884892532878268,11.636712612412628,12.360262559836055,13.051269109843714,13.706709480237052,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0020_29,RSM0020.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0942767632780963,0.6154808465084087,1.8909871281116504,3.76787383148154,5.47087439864449,6.546197589852468,7.096594435345088,7.350636702093935,7.445417673550682,3.1116463177934204,0.4461938755822682,0.0044447858243434,10.5461033312722,4.424827414905496,6.191950816981331,1.0559283608079555,5.096737008547319,11.342219699253391,0.5001052245057324,2.854892105121531,0.4483502908106856,17.81575545651323,2.9820340142983413,6.849446724931067,0.2343285048438733,-2.854892105121531,-0.4483502908106856,7.184686670038871,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM0020,9.28300222849188,10.081869607611692,10.86181580650466,11.617925780048887,12.345182548450596,13.0394140303595,13.697675928196512,N1=C[C](C=N1)C1=C[N]N=C1.[Cu]lvt.cat0,"linker N1=C[C](C=N1)C1=C[N]N=C1, nodes [Cu], topology lvt"
RSM0246_0,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0006003786045532,0.0805203893511099,0.778414861290728,2.456999261919891,4.322356880021474,5.597174911302597,6.269784496099536,6.583997874159028,6.701782788271607,1.8116971515989984,0.0376824044714406,1.0502710650923637e-07,5.775927683302113,1.7460205553278427,3.511933099076407,0.1580164049868905,40.02541068618027,96.45674919277634,3.003359017889423,4.020287830686674,1.735746058107113,78.06293487946934,-40.02541068618027,-96.45674919277634,-3.003359017889423,3.90257422881547,1.735746058107113,-78.06293487946934,0.0,0.0,0.0,4.0,1.75,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0246,20.927710122656467,21.05294240099902,21.150388967674147,21.22763539069448,21.289862963376383,21.34070283544683,21.382757835928345,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_1,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0007068911772879,0.0966838157959241,0.9134606759396922,2.6656833319504782,4.428762800374942,5.5794252470006045,6.175695858143104,6.452283108818266,6.555679178591307,2.018819618583777,0.045089980026152,1.1437853754508953e-07,6.117933878938025,2.001768893621504,3.674777094813736,0.2327664286337001,40.106494630941306,96.62839853216023,3.0074797931411235,3.997735078221015,1.7132410149823487,77.97454094151614,-40.106494630941306,-96.62839853216023,-3.0074797931411235,3.817095600273714,1.7132410149823487,-77.97454094151614,0.0,0.0,0.0,4.0,1.75,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0246,20.87424011897844,21.03909218452629,21.167786405027822,21.27006272165353,21.35262231463545,21.420187328559063,21.47615704058924,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_2,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,48.0,112.411,5.0,12.0,1.69,144.0,0.0007882072103461,0.0915087464566506,0.8275774936442251,2.470567139198504,4.197389664109241,5.3483310226581855,5.949805195697056,6.229752969439903,6.334544623130734,1.8533295604091629,0.0437765573746863,1.6605830324559305e-07,5.712002160307342,1.767274198121183,3.455602277695516,0.1831236158199695,40.44959226004645,97.36826003325898,3.063255610259983,4.4352182330315415,1.6631881614804065,80.15381769886606,-40.44959226004645,-97.36826003325898,-3.063255610259983,3.018249138773161,1.6631881614804065,-80.15381769886606,0.0,0.0,0.0,4.0,1.75,0.0,-47.0,-111.40306,-4.0,-11.0,0.0,-113.0,RSM0246,20.573674126382425,20.725858032475927,20.844920484244184,20.939715338886423,21.01635136197636,21.079145761692363,21.13121502208594,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_3,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1448060722707662,0.4820085481257518,1.3122511779319534,2.971144424070881,4.794754921914543,6.050359027307962,6.7168297528243865,7.02916669089913,7.146412725771264,2.340416576749872,0.3850429678164586,0.0213858845998295,8.701719400831609,2.193496404127256,5.837824216092223,0.395674025719722,7.664344859281503,17.158205609273065,0.99947785637737,11.43119265510324,0.7340400833297567,35.87070070520561,7.664344859281503,17.158205609273065,0.99947785637737,11.43119265510324,0.6706054575017983,35.87070070520561,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0246,3.749176834309813,4.481175635273702,5.2274566970227365,5.967750011242472,6.687539957667627,7.377376414968386,8.03186922814675,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_4,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1073831594927971,0.4470113874362426,1.3973386595970294,3.269681236132923,5.323565882571115,6.74441459885638,7.500901246650798,7.855934400238157,7.989288246705211,2.560364617234591,0.3413397498964273,0.0117242214678624,10.093760265805278,2.811729522308431,6.749041201642312,0.6501431352625126,5.742973412466143,12.410959475429651,0.9286626223584628,13.172274391333843,0.8143807516253153,36.29151650276168,5.742973412466143,12.410959475429651,0.9286626223584628,13.172274391333843,0.8143807516253153,36.29151650276168,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0246,2.225275916133357,2.750648437799627,3.335140113110951,3.9609753072152287,4.611775603280336,5.273871161385174,5.936628977767482,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_5,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1411109862968686,0.4897115045562489,1.3785615015522077,3.131138312389653,5.0493619453236205,6.371289436442699,7.073656895318863,7.402986831038109,7.526639488155296,2.466882253344408,0.3870427583829566,0.0202281816151436,9.29308212840563,2.5079406819484684,6.230771112770611,0.4841612210749899,6.133406407543477,13.299273505125631,0.9706158194424436,13.564975183826816,0.8461967466478337,37.60943310250986,6.133406407543477,13.299273505125631,0.9706158194424436,13.564975183826816,0.8411963799589905,37.60943310250986,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0246,3.311608510816572,4.000066531491864,4.71112692504661,5.425087590016932,6.127069243208349,6.806752579477305,7.457670579863708,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_6,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1567628653477051,0.492032567955275,1.281293521857897,2.858048811964088,4.61711772174822,5.842562531119663,6.4969665892713415,6.804489146485856,6.920059127497057,2.256167480621724,0.3978967383468532,0.0250600194770204,8.33046000221831,1.8844956586643595,5.730374417365439,0.3213432648936884,5.424373839006255,11.771586372619169,0.8355002261764112,11.64610496243273,0.7595539754147471,31.825417323302315,5.424373839006255,11.771586372619169,0.8355002261764112,11.64610496243273,0.7526199151249751,31.825417323302315,47.0,111.40306,4.0,15.0,1.2399999999999998,113.0,0.0,0.0,0.0,0.0,-0.5100000000000002,0.0,RSM0246,4.687183884802897,5.475608782239781,6.248382488086295,6.990722233572504,7.69346741256576,8.351710477907787,8.963585273766201,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_7,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1498337995134427,0.4785044822167516,1.2742649975500826,2.854998061166884,4.535955236614526,5.668017476702167,6.262667780706367,6.540081668807365,6.644025099254263,2.260185062345504,0.3862304632573492,0.0229263424241356,8.756309015495956,2.165292575908439,5.763732187617872,0.2289588269609316,5.402848476229092,11.646599701399987,0.845218613624018,12.164597385221237,0.819482671376912,32.151060572535805,5.402848476229092,11.646599701399987,0.845218613624018,12.164597385221237,0.819482671376912,32.151060572535805,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0246,4.542285193950061,5.290515498566538,6.036646143397056,6.764114367273548,7.461606877804061,8.12211432816819,8.741911135308083,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_8,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1323407254397103,0.4871137656650533,1.4629919405038048,3.3982101219611804,5.479152380627952,6.891393641906514,7.6353726585099775,7.982806598165872,8.11303342407605,2.668087526069261,0.3791842145400284,0.0178004039874214,11.043175174716175,3.0717781563897577,7.292221386469097,0.7002147906821912,5.606711506333628,12.10717774731269,0.8975981364450581,12.78749659789409,0.8119901144839804,34.79831201948593,5.606711506333628,12.10717774731269,0.8975981364450581,12.78749659789409,0.8119901144839804,34.79831201948593,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0246,2.8890314751718384,3.506041154474882,4.1649832009935706,4.845276064179224,5.529853279401016,6.205772224609298,6.863991021970051,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_9,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1761272536377381,0.5249852393050244,1.3890183741450777,3.1163108513675275,4.986592603524526,6.263561413544886,6.938887747067798,7.254881568125208,7.373425490334732,2.4630875948058706,0.4264082880396869,0.031538503278404,9.73858567293654,2.4248844706277155,6.494119895285925,0.425413835829167,5.721650988577343,12.366081420519471,0.9263797358417936,13.132688875311691,0.8091726852135548,36.238326566038815,5.721650988577343,12.366081420519471,0.9263797358417936,13.132688875311691,0.8091726852135548,36.238326566038815,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0246,4.901732524639204,5.512836672599519,6.083402598172137,6.610503066855405,7.093744798782027,7.534440270277949,7.93494248155799,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_10,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413763599891244,0.4546085219973224,1.1663534113299778,2.6181914115679703,4.22449547433517,5.328748558143018,5.9139230260928,6.187920940046936,6.290735512243034,2.063506174068856,0.3686432586758721,0.020482852475845,7.678209335791365,1.6901516724520385,5.217371348402906,0.1692183773751806,5.5204809678029445,11.896463864214766,0.8600233228358195,12.400667550489503,0.8440703003551489,32.59922775949265,5.5204809678029445,11.896463864214766,0.8600233228358195,12.400667550489503,0.8440703003551489,32.59922775949265,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0246,3.926590798288815,4.6715109400811095,5.422323494002809,6.1606951245888535,6.873893309768123,7.553960664685357,8.196687632514145,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_11,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.161769791624364,0.7762092305453253,1.7686477892311054,3.17008799780833,4.613288075423817,5.6039855445836775,6.131421109480587,6.379090507221743,6.472146817766158,2.65978675500003,0.6055534073002482,0.0107605912652225,6.65642448409757,3.541196477155286,3.9282776936924586,1.1014327130728807,1.6177497724125016,3.290869574045294,0.0546346619527863,2.0161686471822584,0.6100863758979456,9.059426460302424,1.089524287659264,2.1284819271205864,-0.0510104349978612,0.6403662355205565,0.5720716469048072,-8.97727731599079,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0246,6.932361530849834,7.763472765350119,8.579373670676949,9.37302896201548,10.1399153683163,10.877064027138804,11.582543801193252,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_12,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1060050864076325,0.7348223358799806,2.105732362833948,3.8867575334430233,5.4975597202836095,6.547141498317571,7.095830171095112,7.351731959921804,7.447633015346701,3.273717331552501,0.5331260599165977,0.0041064487883729,9.993026439460827,5.001662027815878,5.879885918273788,1.5883003945158394,1.0828076912830884,2.214136647162773,0.0529957304510581,1.5067735348915536,0.3824824280252403,6.473953065436605,0.552850386772507,1.0479380408074035,-0.0529957304510581,0.1288845431640419,0.3453854167094997,-6.473953065436605,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,7.847962463074758,8.610570714450088,9.377927887306074,10.141340851260578,10.892479398908115,11.624116127605884,12.330483218890372,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_13,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.220498674240408,0.9190583917771704,2.157719651164694,3.8953456440282768,5.648373945857136,6.854952180005027,7.500343925852208,7.80421891470631,7.9185313465344995,3.27059288067915,0.7211652570814292,0.0244185794465668,9.9783056552161,5.318650708596874,5.758200556684635,1.754304559424853,1.8024798706870544,3.9135356754325294,0.3091725059192463,4.275859918041025,0.2224050938571523,15.195849471820202,-1.2892451885054086,-2.889966087023564,-0.3091725059192463,-3.76262523585938,0.0059843397136801,-15.195849471820202,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,9.62624619677513,10.348895235967104,11.06063158852512,11.755487604986095,12.428183704953453,13.074512786984554,13.691453637671222,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_14,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1837110929001321,0.8676243426635245,2.1363368186408698,4.000054959546535,5.918063434134568,7.237605963310148,7.941274251163178,8.271961886943943,8.39625228310295,3.321929891361611,0.6698643676884947,0.0148316053627138,10.956008858921017,5.406516909545831,6.489000453673135,1.6888443125933827,1.731043919822004,3.802268766272895,0.3394354320286719,4.44652737605138,0.1338731092670319,15.44392823968346,-1.6633104004647148,-3.667184421942685,-0.3394354320286719,-4.37879385669409,-0.1037316931530381,-15.44392823968346,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,9.601096269456406,10.321150778282073,11.02519586650365,11.709727507422196,12.371276124075012,13.006881134084022,13.614321799259791,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_15,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1164952024583623,0.7629818719732304,2.142401710521484,4.010273890579567,5.775938900258516,6.951826052254146,7.57215674357472,7.8625593529536655,7.971552973405271,3.355666953597257,0.5592616446717176,0.0047577700030509,10.600911862331843,5.332057428886617,6.203872970357254,1.6804737747446967,1.0963788127162215,2.2736535106450058,0.0844709804021385,1.7721466559333303,0.3295054834047089,7.171313671623881,0.2516690086948363,0.4148256619861378,-0.0844709804021385,-0.4240988345222721,0.2703757971232121,-7.171313671623881,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,7.932539619088569,8.648551589096934,9.365957849645204,10.079372665234253,10.78303457470783,11.471453646808744,12.139853091584245,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_16,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.158253970379938,0.7883333614974338,1.8337176565209272,3.3477821583927496,4.963776941486098,6.100946774837546,6.713767354414469,7.003088027644595,7.112035496119628,2.790205706643098,0.6116643353992497,0.0093934877262039,7.341544801578702,3.876109441478557,4.214520947049991,1.1631759435462878,1.6281421665194526,3.3066028376070657,0.0568645495268535,2.078855131360374,0.6171006262395792,9.26473474286044,1.0614670297074364,2.0596047319451096,-0.0564704778355497,0.6052370611882623,0.5773203994445643,-9.255802451190888,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0246,6.922501467078763,7.688773624980013,8.459912069937717,9.226951371047072,9.982451437594618,10.720231782037729,11.435298495181886,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_17,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1379252845645726,0.7071132314960847,1.7205245244353542,3.251198454191637,4.8936341400220105,6.0449043620308665,6.663525335141514,6.955162265435627,7.064913766021237,2.6844540779342463,0.5431072279027236,0.0095620610439477,7.1924857574276695,3.614762794884049,4.173977567076669,1.0571120263103717,1.937825840779267,4.0624778001109005,0.0737590487833944,1.9527138486213933,0.6143448234982611,9.348884472535223,1.4698530322070549,3.032679300261704,-0.0198355129310479,0.7000355224320781,0.5661286466205336,-8.12661765988204,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0246,8.368994920662006,9.341269912967386,10.257646321783392,11.11346156461124,11.909116831786363,12.647590512669252,13.332926725999432,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_18,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1073714106677512,0.7349006259628894,2.097380706553748,3.949751371198704,5.701111755439059,6.866562104603668,7.481034901310845,7.768611202184753,7.876530368120887,3.300295963369225,0.5351488795114875,0.004117671413792,10.52640265295359,5.107464066941559,6.228106306099057,1.5775289568856043,1.2250013441838568,2.548559126986147,0.1023052116013157,2.043443036994383,0.3533033264093492,8.171110952945599,0.2019492281706992,0.2972797469891614,-0.1023052116013157,-0.6164924646398267,0.2816896782884283,-8.171110952945599,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,8.099809874289582,8.869901640073662,9.636603309927546,10.392480283337177,11.13090219473831,11.846343653267937,12.53451812652026,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_19,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2221456860537353,0.93213399036634,2.1872037523228123,3.955985796417529,5.742729303143689,6.968978373384419,7.623354811232291,7.931079772254085,8.046777622815483,3.318974926167348,0.7312403610755356,0.0237272893473726,10.27082063791106,5.425833860865166,5.961089133137314,1.7835254939746568,1.7310310597009182,3.790127716821884,0.3276844287711637,4.352506489870228,0.1559005176209766,15.208843873927863,-1.5458132280107184,-3.420738534190534,-0.3276844287711637,-4.167288658180028,-0.0734785825188377,-15.208843873927863,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,8.463763029873823,9.185392122627798,9.89135625625299,10.577517665423589,11.24024192544254,11.876605499445064,12.484479735750956,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_20,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2351334055589845,0.9442195077557308,2.1744037760463253,3.8413069586149824,5.502528987812599,6.646835318540575,7.260099484780472,7.549172409626816,7.657971808534629,3.2467127112472056,0.7445413037591042,0.0283036805483267,9.71796623313718,5.211872214580764,5.719265298108646,1.7715917675605315,1.7900246109068718,3.89369225671655,0.3140189464257675,4.302176182313012,0.2077754273052438,15.230501983049708,-1.3501648533508028,-3.016457949234604,-0.3140189464257675,-3.862316424756943,-0.0120378351927931,-15.230501983049708,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,8.006730464443821,8.726548281118548,9.438047451652686,10.133776472117209,10.80776117263639,11.455483253449172,12.073776929017823,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_21,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1225047452420087,0.7917851375607913,2.2091903823770807,4.046409153322886,5.695150949491279,6.761584403890261,7.316946913373673,7.5755150467185715,7.672346444494909,3.4151110027859803,0.580905785472665,0.005187660205894,10.699495732247309,5.481807339198605,6.241165431504372,1.7892419500837389,0.8844602636066584,1.794989217049197,0.0301315121339828,1.1255123606785211,0.3370882320537451,5.024931560712949,0.58314514226683,1.1319296241545949,-0.0301315121339828,0.3420930451949671,0.3159961735599573,-5.024931560712949,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,7.653389047366772,8.335186579555154,9.017513544378955,9.696585347097075,10.36788635056219,11.026787261234642,11.669016475714615,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_22,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1673714570479438,0.8113391494535865,1.8675372178167031,3.3877092649853777,4.948514127416956,6.01198961409206,6.575518732864256,6.839529306541452,6.938627849856603,2.8334301606358503,0.6324274138236291,0.0103073351581635,7.908760853496354,4.022798663534871,4.6702925725877895,1.2092416626598543,1.526129831464185,3.0886171365197645,0.0436272268350138,1.8751476461442955,0.5973267246859114,8.5031936940212,1.0898575631140468,2.128577323857332,-0.0436272268350138,0.7408397484339365,0.5667876659014018,-8.5031936940212,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,6.748354526608176,7.5133141063195055,8.276462722430153,9.031034939446895,9.771698180331954,10.49401237401002,11.194271347668698,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_23,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1544668931610123,0.7604902090075865,1.777006637573386,3.273544990008223,4.831199260925547,5.898650122556055,6.465511066550082,6.73130263921978,6.831101293175171,2.724611780003307,0.5906742322995022,0.0097436249400333,7.547287944250471,3.814823393031814,4.382933881321194,1.1214502517394027,2.304845023191312,4.950247328868817,0.1206816793693996,2.1875058060566257,0.592885944021931,10.520294395185855,1.6055872851644484,3.4114943149383268,-0.019169868235973,0.3017611464311627,0.514837849835135,-8.219360009494855,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0246,7.241981289316264,8.078051763955381,8.90554391467648,9.7158588007554,10.502587649856713,11.260970857159997,11.987593827760351,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_24,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0999175251456986,0.7137198894362545,2.1170276333881786,4.073764111593938,5.882127292465439,7.051740744799366,7.658264443366896,7.939889064171314,8.045222009787416,3.389403728843866,0.5149693258853179,0.0037174534834179,11.91940913503378,5.587874464486987,6.922359578379886,1.605060796769308,1.2156184125606069,2.5524698881536,0.1242483652567427,2.2096053346145483,0.3079845087330773,8.563059367937887,-0.0268652400068204,-0.1816799984709566,-0.1242483652567427,-1.0208521620607622,0.2210106530533575,-8.563059367937887,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,8.13495356963732,8.920095306328522,9.711152948304395,10.49754315136151,11.269516724246117,12.01894731366581,12.739626712399788,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_25,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2297766381139204,0.938357924565475,2.208200245356561,4.005652148812587,5.74302637391502,6.891294367106207,7.492148193943172,7.772192910266869,7.877093590079881,3.365348423062953,0.7383016068378961,0.0263719360931709,11.077923729492632,5.889199689827234,6.201710050560247,1.8306073581060864,1.7695721420631616,3.859330002873729,0.320252763164337,4.331594247377858,0.1869856722849746,15.252915973602546,-1.4329554895802097,-3.187998581994354,-0.320252763164337,-3.994977594894906,-0.037191261930061,-15.252915973602546,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,9.895332063215903,10.605461952020915,11.300102611391216,11.974590291319464,12.625065176120298,13.248560962172611,13.842998008104091,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_26,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2140745576989932,0.9215813145861224,2.2123768418631373,4.098224998216579,5.992589835977586,7.275448280166497,7.954659739654051,8.272877236274148,8.392332539878314,3.417218222172336,0.7203157181877512,0.0214027409936472,11.939174710492216,5.951957197748286,6.946098082039089,1.8117883895073308,1.7093456596079717,3.727649191938429,0.3090325755320229,4.181606263864155,0.1812227394030042,14.727379808680318,-1.3809800957122578,-3.072773329583012,-0.3090325755320229,-3.853240699968441,-0.0351000634694115,-14.727379808680318,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,9.840649112793615,10.53722265055608,11.215900507275116,11.87463777052418,12.511033334866694,13.122841839144632,13.708261912169348,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_27,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1031280207343267,0.7296627955416567,2.1533216395313084,4.177042203412404,6.095587117042129,7.354239184044332,8.011057642316937,8.31685165872097,8.431347956289342,3.4623983298179146,0.5276944792917942,0.0037596624331328,12.48178833056111,5.87924132742952,7.219184355324827,1.6843902043361068,0.8711639891913522,1.7671967831154087,0.0288948519137889,1.1023228045016638,0.3334901278517974,4.93371698423254,0.5822154700534624,1.131350541429487,-0.0288948519137889,0.3510566547431508,0.3132637315121452,-4.93371698423254,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,8.246023944114539,9.019072727877614,9.795707970915126,10.565826828627555,11.32057095389721,12.052729169151528,12.75684584085996,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_28,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1625580057376574,0.7878512381091586,1.8535923991304784,3.4716131421809,5.15350243419929,6.299069732860208,6.905372560344862,7.189228150837575,7.295743112578936,2.87662721080232,0.6133147461615388,0.01040027243462,8.138404080564671,4.339469249374747,4.527015326503252,1.1925671610384458,1.868872435428744,3.892409412692666,0.0312330461573275,1.4901887117388426,0.6532201866827284,7.9851681819215,1.851173892425088,3.853462848488885,0.0276933375565963,1.4048882441200543,0.6350890586744812,-6.649503484405892,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0246,7.253953315979432,8.055510811137877,8.848647882931537,9.626682134986096,10.384495405179372,11.118037345638603,11.824140257885173,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_29,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1694718542291393,0.7972064089918716,1.8740988602834767,3.578909956997782,5.3819923678220425,6.613905608402119,7.26601071152616,7.571257497143699,7.685786536999831,2.945961427677229,0.6230552089073436,0.0116364376959623,9.065714792923004,4.567526367535699,5.155225556758338,1.2478424449325172,1.8348842267652543,3.826957708903045,0.0404547415400466,1.5638768566930363,0.6272701230901135,8.10666672895059,1.709076796861315,3.5501119174130715,0.0152932555592587,1.1996122075432567,0.6024825104950369,-6.843045461366332,42.0,100.4003,3.0,2.0,0.8900000000000001,68.0,-5.0,-11.00276,-1.0,-13.0,-0.8599999999999999,-45.0,RSM0246,7.118899364694144,7.922926716697978,8.707649576951948,9.468957415630104,10.204450211684158,10.912562700109463,11.592182076398078,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_30,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1024129785770785,0.7377873622227417,2.18747259136888,4.225841127151015,6.147959410611242,7.40734610999373,8.06436930340818,8.370238496870778,8.484760813366016,3.5080666078766414,0.5317176919454897,0.0037179708379252,12.802427683135996,6.066325445497169,7.376470556957774,1.7248628978784988,0.930016190716944,1.890214984250244,0.0343713390693654,1.204986903271867,0.3494109441139799,5.337507734972027,0.5863028000232897,1.1338557949325414,-0.0343713390693654,0.3113320874683665,0.3253510067654241,-5.337507734972027,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,8.313436871567601,9.079655024025245,9.847319057322585,10.607596438659652,11.352405827507338,12.07499486704361,12.770160698943172,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_31,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2509488044410841,0.9555031190275224,2.198099311261823,3.94359320809831,5.665198086210125,6.829152903473844,7.446258733766636,7.735679029097286,7.844378768842471,3.319728671216816,0.7582015665583438,0.0345175295080893,10.812522377560878,5.676483568388201,6.189271568924371,1.8262028640495065,1.7215985532728737,3.760099164263873,0.3168049675018839,4.256038293287945,0.1721020421403962,14.944092116402048,-1.446451121745966,-3.211358884198185,-0.3168049675018839,-3.9808908617610377,-0.0496614351109223,-14.944092116402048,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,8.185069818516753,8.9995269918884,9.786827586509045,10.54257994320822,11.26354254873535,11.947523802660818,12.59330375587712,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_32,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2094772149941383,0.8902139531893757,2.125040311536721,3.852341753944334,5.521560982189497,6.629134317839291,7.210186987793986,7.481341450654837,7.582965999419525,3.238174622104706,0.6957676853462659,0.0229383996395911,10.381212012529012,5.4269673091205615,5.9612001215643255,1.7188269541171586,1.7645383970201058,3.834966493221872,0.3063591440672972,4.215411549558484,0.2107961915477648,14.949874866446471,-1.2990530436528658,-2.906625778733917,-0.3063591440672972,-3.749926196191244,-0.0036552092993429,-14.949874866446471,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,9.638612042977424,10.411406756165876,11.16796141830284,11.901125512209124,12.605121498781315,13.275798543078157,13.910574704708658,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_33,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1045326359670645,0.7305154581024167,2.1579914516357395,4.136798544415042,5.942191494994747,7.102296529990107,7.702424304409969,7.980823906501609,8.084914536161792,3.448052828577252,0.528793835760102,0.0039888299726876,12.097163480905564,5.82424190771752,6.951930171793032,1.682189229565887,1.0897814801202417,2.237457694198869,0.0621254879400451,1.5867853836406025,0.3684674687659229,6.69141715940211,0.4685266007197904,0.8703540268244481,-0.0621254879400451,-0.0284773028005705,0.3249796272078914,-6.69141715940211,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,7.514999539755476,8.293651290743592,9.077219354954693,9.85556132395476,10.619579706447306,11.361724502764782,12.076187733613232,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_34,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1658190247576902,0.7942055750992995,1.837098862016608,3.377162693588818,4.981375701032191,6.079810270070984,6.662724371566757,6.935944862997655,7.038516753825154,2.8118112464134817,0.6194878843757192,0.010870356116335,8.068274323691943,4.13266116113252,4.624369666274971,1.1869588659377046,1.831164890809284,3.749627620747748,0.094707054987103,2.588821330706108,0.6372926483093131,11.049965553788477,0.8840943409382532,1.6655496280879525,-0.094707054987103,0.1264379010414291,0.570997709818341,-11.049965553788477,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0246,7.135456718324298,7.927048991986512,8.706798114031502,9.469331011970583,10.21078621896538,10.928155030769014,11.61903817421858,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_35,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0785343868212913,0.3639283887292541,1.109878491375016,2.503278543070265,3.9774383433264417,4.981392446687675,5.512888782046581,5.761804637914721,5.855225793825469,1.9833088860906487,0.2765212516052076,0.0063552369329493,5.876368717371682,1.6622148540810575,3.790965473360019,0.3159755457577564,7.16095808911961,16.793413002558765,0.5609671127799262,3.083224690378617,0.6465625484005201,18.3883341669379,4.25966897885426,10.73361021310798,0.2955799173181141,-3.083224690378617,-0.6465625484005201,9.09978232577448,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,10.90605134676758,11.46413312215145,11.96716789496955,12.42351092412925,12.84002810867154,13.222208037229269,13.574388759354267,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_36,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0611391413317521,0.3360202502330803,1.1225779750341756,2.6634588744953915,4.326760393832695,5.462393130442214,6.063047725564764,6.344121663966327,6.449568889898899,2.0820724107629576,0.2477605768887387,0.0038434649842885,6.905289079092345,1.894916307633153,4.386347020956111,0.2593799942247184,8.421112592960343,19.61928800555096,0.6587115890908724,4.186610471985316,0.8609570219662429,22.780366802940968,4.251147185308999,10.924533015413852,0.2917078942793279,-4.186610471985316,-0.8609570219662429,9.935237484536907,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,15.168683567143969,15.889676733100249,16.540283761661524,17.12886716747929,17.66234279499605,18.14654712275217,18.586512511834687,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_37,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0873312593426916,0.5398178913257851,1.6568832924313963,3.492226374021295,5.319780288706919,6.532002243931097,7.166324664396451,7.461894853007033,7.572595516784299,2.826062853639084,0.3964258316149554,0.0039706050654903,10.554323471469637,3.405677314235855,6.642193367321354,0.673690164115605,3.346966879754921,7.0299890475609805,0.3442892415415517,6.101280812087334,0.8438579336005299,16.734834398774602,-3.346966879754921,-7.0299890475609805,-0.3442892415415517,-6.101280812087334,-0.8438579336005299,-7.365412509134023,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0246,11.735706436941795,12.623827336439334,13.470344855491756,14.267709237521816,15.011689027533544,15.700828422880608,16.33574523486456,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_38,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0657947781074784,0.3390389871124039,1.1286096326851855,2.695341510528788,4.389112432889862,5.550111667923352,6.165980636700219,6.454611028575324,6.562964964681582,2.104251853196657,0.2526064056212734,0.0044719228325453,6.615499985665141,1.7649534441698078,4.276910138796097,0.245833324156461,5.729429267226357,13.107774536802571,0.4823941553798568,4.343968264534996,0.733855257382872,17.983097369813677,1.2633897270805978,3.746947156985537,0.0420672691931646,-4.343968264534996,-0.733855257382872,2.571656353279449,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,15.946458812125664,16.594462302967145,17.18070534718791,17.7129416618112,18.19749444243261,18.63958024517804,19.043578909674856,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_39,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0608209462640292,0.3339768704907522,1.1385989483825567,2.728808103173816,4.454104133637942,5.6373743730849455,6.264762467359357,6.558680420466113,6.668998766046557,2.128019867797181,0.2457756183978287,0.0038166818362758,6.845071767216199,2.0189539732075894,4.187457540633337,0.2530695387254969,12.277201996988396,29.03851815870731,0.9386033733340454,3.9017112442019206,0.9435733564275278,29.08789724804234,8.901888322290059,22.00923144694636,0.6498284006118387,-3.9017112442019206,-0.9435733564275278,18.980773202765096,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,15.562922731060326,16.295609646129936,16.951461513868182,17.54093671035805,18.07240012439272,18.55271707819876,18.987654252120684,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_40,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0221207723314464,0.2297126268716709,1.031776414798229,2.6827239518288346,4.472624438129227,5.692932702289093,6.337438940388688,6.638793410781066,6.751808937002314,2.0575980168911263,0.1521521873164584,0.0005030382809177,6.724020890057644,2.0301290375784515,4.075044715270392,0.2281499063667701,14.364272242447342,34.023564349765685,1.107610691138445,4.468326195343125,1.0563316156376874,33.6824703406061,10.644836525835023,26.255640423337624,0.7680724664827329,-4.468326195343125,-1.0563316156376874,21.798632477656184,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,16.81997315940774,17.798080905888742,18.616288582366185,19.30398888493371,19.885193493305827,20.379274238266586,20.801783838345028,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_41,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0895575078321029,0.3651359383907039,1.0522019631840454,2.493978070347002,4.12305071670578,5.259479529745394,5.86627796797817,6.151385388864768,6.258523155922035,1.9392825618774887,0.2856550175903891,0.0082983521945658,6.037415251067513,1.5200253643344546,3.965839233872914,0.1940685523441181,4.4978092497587125,10.124567257828788,0.384644293632483,4.21809394229434,0.6970609627606353,15.663411280527614,-0.0219830410597317,0.663471894736279,-0.0489573279800594,-4.21809394229434,-0.6970609627606353,0.4873545240886297,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,15.621413173515837,16.126084028362285,16.570115324985714,16.965109748550283,17.3204848928557,17.6436313742306,17.940208787975504,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_42,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0808781044428547,0.5347089560663719,1.7111383712930333,3.6215942346207375,5.49473719268774,6.728298817265583,7.37189975948487,7.671433422345151,7.783564904015765,2.9326219048278435,0.3870582298578561,0.0034240284474875,11.201383758594025,3.69134584278516,7.0393005124887145,0.7733562105297724,3.2341730471062893,6.786599202400869,0.3264043858977524,5.845408134288308,0.8271987824040128,16.170865235531448,-3.2341730471062893,-6.786599202400869,-0.3264043858977524,-5.845408134288308,-0.8271987824040128,-6.677441777311226,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0246,11.835719459290324,12.741163101496838,13.605832013400654,14.419916761560296,15.1781626508955,15.878817995993444,16.522597599556878,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_43,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0625636570565561,0.3352212074481258,1.0895218223837784,2.558797207807755,4.168235568561158,5.281686880220496,5.874894289104174,6.153428857608168,6.2580733873649805,2.002516659294376,0.2486865787382549,0.004031360126133,6.788915916354362,1.7527439222700754,4.398164209886532,0.2179462179552494,7.241724481230222,16.844377238161265,0.5715598657454137,3.784889452578852,0.7557993462604975,19.8823506984346,3.464027458256018,8.95958960406303,0.2313715297160542,-3.784889452578852,-0.7557993462604975,7.975758937407014,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,15.394185618185832,16.1107805085856,16.758461722167628,17.344702982035024,17.87604760949158,18.358221941400817,18.79626229770675,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_44,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0687795964655291,0.3786868597916097,1.301317844054776,2.9934018790848507,4.732566612106893,5.895801548727,6.506075068370725,6.790710720683054,6.897354770573262,2.3685709769175496,0.2762393341361868,0.0048084661237346,7.855964119680251,2.540032812668055,4.892924871931985,0.4873594193343875,10.560514807120668,24.85679170991398,0.835420460321829,4.246335612203589,0.8746926511010831,26.3742368513702,6.7695423628682825,16.913671786338682,0.4643338274273422,-4.246335612203589,-0.8746926511010831,13.38620470006315,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,14.812410512916417,15.467323728742803,16.06230842312323,16.603957799616616,17.098089960684945,17.54972770814914,17.963189248803733,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_45,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0673682468922732,0.3444860540899031,1.1131823215211585,2.593548095635449,4.18577275360622,5.276394344112216,5.854749303935155,6.125751016464539,6.227478699189405,2.03694501780001,0.2572051804053412,0.0046791197389993,6.760831326611406,1.9067790640833504,4.203232391471604,0.2027867890802875,6.936342246625798,15.880661144004806,0.6332241634487168,5.825609287131173,0.826205554376229,22.12277449005746,1.29902610948668,3.9689648510495448,-0.0155715367402808,-5.825609287131173,-0.826205554376229,-0.585075016557454,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,15.494518768361676,16.212875542005406,16.852308856172506,17.42557127351085,17.942409823600943,18.4103985839034,18.83555736315033,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_46,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0669145206607709,0.3547985622323613,1.1864266114620805,2.782523265569857,4.479055023605351,5.6327398641938045,6.242480795061459,6.5277712369352034,6.634798615353021,2.184835781286527,0.2622906300913259,0.0045845692234071,6.916730296667835,2.0883953978926995,4.434471245923583,0.417521146798836,8.584765777519541,20.02850338745709,0.7019819751251246,4.527112609743057,0.8232323843114991,23.254360651083488,4.313246180850434,11.059445855682476,0.2653689217526233,-4.527112609743057,-0.8232323843114991,7.972903783045944,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,15.630116268206038,16.27529615713053,16.857245241893732,17.384883744356706,17.865034936172727,18.303087081413704,18.703443212231267,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_47,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.083987390878764,0.522873131828675,1.653908474441099,3.70033783103012,5.80631497603523,7.204116538423916,7.933034479494754,8.27193106906741,8.398728219812515,2.942350015107936,0.384192426551398,0.0036916996467328,12.505555615862257,3.885345325487592,7.755639143533177,0.6520629938916588,3.1589782520726226,6.613520954790718,0.3039860697468328,5.5908668100472845,0.8357714413970058,15.794891260363114,-3.1589782520726226,-6.613520954790718,-0.3039860697468328,-5.5908668100472845,-0.8357714413970058,-5.48413362191518,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0246,12.102481716102137,13.045662995975022,13.932739828921813,14.75776873305804,15.518637101327206,16.216052019861216,16.852596972178127,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_48,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0720224890302843,0.3491368729841075,1.1171267285153714,2.6349443827674537,4.244265242759269,5.329169125019847,5.899758324136592,6.166139725149522,6.265982290358983,2.064973200768645,0.2634131867353217,0.0053547079197046,6.871807583112304,1.9697442572793769,4.193623386327918,0.2455031851551533,8.645023651618258,20.30245490495935,0.6616588969216932,3.3994218496765725,0.7752959134334287,21.796076537550324,5.406806984802049,13.566531959698152,0.3922284008098298,-3.3994218496765725,-0.7752959134334287,12.366009173635105,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,16.311858192648703,16.917385210527677,17.457114819094972,17.943171426601094,18.38430295730329,18.78694371897611,19.15594952912035,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_49,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0644560641514235,0.3448746554469909,1.1642083773668197,2.740765859479483,4.423672992609169,5.571915607798794,6.179786771194153,6.464411132873821,6.571220788128301,2.149724796286575,0.2544650366827475,0.0042814616345944,6.857753966694303,2.124847860940743,4.201338809042648,0.2954165201915716,8.624960885999672,19.98785445011702,0.7786617289186487,6.066132194487689,0.8511805642002591,25.25562196684731,3.0925358111485566,8.254710664052382,0.1001505233674685,-6.066132194487689,-0.8511805642002591,1.5077297725560068,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,15.443714225814796,16.18154665668767,16.84093985744334,17.433179163422516,17.967207896838183,18.45023429677824,18.888191035968585,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_50,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0670682836031885,0.3630521965513432,1.2516588577097223,2.953602507563497,4.754194291372595,5.974904325415179,6.618956190058404,6.920047143202335,7.032961313963802,2.3174208553465774,0.2661833458107445,0.0046069493658455,7.67612498089579,2.542450145041425,4.721264701005715,0.4395528785825429,10.116038315681656,23.543132935524486,0.8890291272260105,6.368063884230795,0.9477463926208242,28.497769764915088,4.364238283330272,11.358532948307976,0.1969916176998839,-6.368063884230795,-0.9477463926208242,4.276456931500649,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,15.03206087455662,15.769052275576556,16.42786448537802,17.019982132472215,17.554481774756006,18.0386315117631,18.478362793375293,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_51,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0787631567909465,0.3736891710814605,1.2156701106436596,2.851631958741992,4.569200014775209,5.721621853008012,6.326064123984703,6.607856110741783,6.713409780719439,2.2402017570017887,0.2811671500583343,0.0063797952690368,7.7638969582072015,2.318841491086634,4.749771827230735,0.3581890893380784,6.637159420996823,15.451874866217624,0.5371692739631642,3.575568669582423,0.6677268697956033,18.22260905397403,3.174767169829461,8.19771367638506,0.1987252203488071,-3.575568669582423,-0.6677268697956033,6.377067177471536,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,15.634739448785576,16.208177027939655,16.721020179624478,17.184142877829135,17.605749212895883,17.992023974522173,18.34766122852759,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_52,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0843729425330082,0.5373507050755643,1.7515756384286734,3.912942127141604,6.092622508760446,7.523980631963608,8.2667648304421,8.611371427631871,8.740191921746767,3.1188018730018867,0.3915373565614124,0.0037371733040191,13.521026978365656,4.505835667999746,8.271604092724514,0.8329450843955343,3.232931595267712,6.764617706120881,0.3074854551349844,5.692815236347588,0.8621193315160359,16.164657976338557,-3.232931595267712,-6.764617706120881,-0.3074854551349844,-5.692815236347588,-0.8621193315160359,-5.359323883110354,0.0,0.0,0.0,0.0,0.0,10.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM0246,10.440184373027096,11.394182518922356,12.290130866036044,13.122492642725812,13.889528798072984,14.592240270325457,15.233426293488574,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_53,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0687027625635592,0.35119548109865,1.1659216160743937,2.8126298947870407,4.599367698059449,5.816035157770449,6.457917743515462,6.757865658708027,6.870323446949774,2.188614788167444,0.2618227660232634,0.0048548183441216,7.8590878065409395,2.2549420522603016,4.898061282142824,0.3114194922449176,7.034501939927759,16.324382609074775,0.5752120911965692,4.096317017877824,0.7417762553048778,19.8414170080064,3.018673595568892,7.906685852377451,0.1787760739656796,-4.096317017877824,-0.7417762553048778,5.9661564049252656,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,15.615986577408728,16.30091511602983,16.910641705584553,17.457814438886217,17.951985349186582,18.40047421143336,18.809010567796204,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM0246_54,RSM0246.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0719138906240222,0.3694001297899694,1.1906795424774173,2.711073777225747,4.312148950139776,5.398199751068933,5.971641192175081,6.239837820800047,6.340435649565031,2.1447121905254494,0.274544968456294,0.0052737320674542,6.921700756827286,2.07776638753237,4.346451041424985,0.3329071553227792,6.6891907827156585,15.555553712788482,0.5398426577130484,3.6615951872849246,0.6880588861692752,18.508402304070213,3.105925026797837,8.0535159717238,0.1947910280004637,-3.6615951872849246,-0.6880588861692752,6.431595264129753,40.0,96.4116,3.0,0.0,0.0,78.0,-7.0,-14.99146,-1.0,-15.0,-1.75,-35.0,RSM0246,16.068451701862607,16.66226142906737,17.196659858247205,17.68117274867483,18.12295848016201,18.527475340647687,18.89898180426804,"[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-],sxd.cat0","linker [O-]C(=O)c1ccc(o1)C(=O)[O-], nodes [Cd], topology sxd"
RSM1111_0,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0067507882938567,0.1887990016111282,1.0670384175788197,2.774925723912835,4.462012082994875,5.550970427051505,6.111896515045799,6.371362735094797,6.468244671887531,2.149537252502724,0.1107426510104011,2.048286976071809e-05,7.055989643456449,2.213660320308964,4.575754828763881,0.4074969322986806,24.592826816806543,55.11186481113368,2.388441554996092,6.068471843146549,0.6852421252565835,75.22677476569365,-24.592826816806543,-55.11186481113368,-2.388441554996092,-1.7003592567752788,0.6852421252565835,-75.22677476569365,-22.0,-49.5393,-2.0,4.0,1.14,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1111,21.26142317337015,21.58368624983271,21.84195194873736,22.051644411053715,22.223909924912306,22.36694175400592,22.486854830259485,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_1,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0070979286941479,0.1872763628669818,0.9861238327642082,2.720765296874101,4.726046118390208,6.144771688882041,6.907180519690647,7.26639073277797,7.401525893920541,2.048410780814927,0.1121123002659493,2.1853818875879915e-05,7.596220137096707,2.062967738474952,4.984379354782571,0.328639579803965,24.017748635565543,53.85214932756773,2.279071386228356,5.331107999174723,0.737353079652431,70.44625385815718,-24.017748635565543,-53.85214932756773,-2.279071386228356,-0.2503197253923861,0.737353079652431,-70.44625385815718,-22.0,-49.5393,-2.0,4.0,1.14,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1111,21.17694863418707,21.4963925719406,21.75292212105709,21.96161211750081,22.133365196165453,22.27620741939042,22.396140089456225,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_2,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0060791668728407,0.1900724569881223,1.1284741357516936,3.0346052466706435,5.030992609600763,6.374374046384345,7.081253699462096,7.411413816705436,7.5351894117732465,2.323212174373204,0.1093706403805671,1.599597685823498e-05,8.120156023141346,2.677719820983594,4.938726918739386,0.414468751106967,22.34181639129058,50.11506455562257,2.1089661335463665,4.844079527913243,0.7315857909740181,65.03223329982777,-22.34181639129058,-50.11506455562257,-2.1089661335463665,0.2308031899342506,0.7315857909740181,-65.03223329982777,0.0,0.0,0.0,4.0,1.14,0.0,-28.0,-62.53806,-3.0,-10.0,0.0,-101.0,RSM1111,21.436259005129774,21.732618896965107,21.96918008609689,22.16063192414086,22.317501202747035,22.44747090388693,22.556240875971497,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_3,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0067500496890362,0.1887938603192793,1.067007641703543,2.7748283661701523,4.461835231565725,5.550735497859892,6.111629735936192,6.37108079968631,6.46795701029279,2.149465971251922,0.1107390460347894,2.0474810242329e-05,7.0552560068977135,2.2134189759203853,4.575378747212787,0.4074943943341584,24.59247009729413,55.11108524539376,2.388375504707525,6.068035959196171,0.6852782122116781,75.22393484305611,-24.59247009729413,-55.11108524539376,-2.388375504707525,-1.699474134954336,0.6852782122116781,-75.22393484305611,-22.0,-49.5393,-2.0,4.0,1.14,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1111,21.26381030770375,21.58560619757345,21.843504763622256,22.05290399973145,22.2249319220318,22.36776875860921,22.4875199634402,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_4,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0070987419079181,0.1872860297116584,0.986159109597048,2.720876350131497,4.726277999986761,6.145100514027421,6.907563822125893,7.266800136352071,7.401945179557106,2.0484882647960743,0.1121188970792326,2.186126626551921e-05,7.597054970181173,2.063072321506346,4.984963925982327,0.3286577333405054,24.017911075370783,53.85250290646323,2.2791000821533483,5.331289910469395,0.7373337455903473,70.44745037388044,-24.017911075370783,-53.85250290646323,-2.2791000821533483,-0.2507117325975706,0.7373337455903473,-70.44745037388044,-22.0,-49.5393,-2.0,4.0,1.14,-56.0,-28.0,-62.53806,-3.0,-10.0,0.3000000000000002,-101.0,RSM1111,21.176514982116743,21.49637972008201,21.75325503140668,21.962231226053948,22.134223025121177,22.27726589429564,22.397368462678923,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_5,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0060776850467435,0.1900606730327782,1.128492100970313,3.0347092016057844,5.031175426422255,6.374603099962563,7.081505147464727,7.41167530745814,7.535454602215829,2.3232849150498747,0.1093607821391133,1.5985048882711616e-05,8.12081287847847,2.677869719582286,4.939165611419079,0.414479040622669,22.341743800201524,50.11490425371834,2.1089525147397667,4.843987866181371,0.7315895683467691,65.03163011811438,-22.341743800201524,-50.11490425371834,-2.1089525147397667,0.2309673615000739,0.7315895683467691,-65.03163011811438,0.0,0.0,0.0,4.0,1.14,0.0,-28.0,-62.53806,-3.0,-10.0,0.0,-101.0,RSM1111,21.434910554681828,21.73205548119006,21.96923493361672,22.161181473887066,22.318452197143102,22.44875177647203,22.55779587788149,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_6,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1447850121210982,0.6160507367615472,1.5931436156986667,2.9675045924747536,4.31975660350553,5.242440060494078,5.734916787087718,5.966665919888409,6.05383222297828,2.47862958777227,0.4726290255590619,0.0185649151130409,8.537760202476326,2.230287722916018,5.367636552362423,0.317258800899175,1.622544942783788,3.555592947396804,0.3099390292936394,4.102057177132904,0.1441750604474131,13.583007336635822,1.622544942783788,3.555592947396804,0.3099390292936394,4.102057177132904,0.1441750604474131,13.583007336635822,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1111,5.572560394497764,5.942597766052071,6.342177886475419,6.764784271616028,7.203139274111146,7.65031264284288,8.100333372654433,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_7,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1460241968290237,0.6291013844253361,1.6426056511233833,3.07584504587931,4.529402591190585,5.5455630741986015,6.094544971326979,6.354279233949366,6.452188025481676,2.561936875734228,0.4807457810986344,0.0188149913399171,9.128806667137194,2.490466691176318,5.763766383405646,0.3564123424515475,1.7571724013038796,3.877155230982636,0.3209411961973036,3.8369783790904526,0.1043572033493725,14.040008187900128,1.7571724013038796,3.877155230982636,0.3209411961973036,3.8369783790904526,0.0973897234666317,14.040008187900128,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,5.320415522887821,5.690390538507668,6.090817258417677,6.515160658898203,6.956080562948346,7.406546163969788,7.860458476159366,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_8,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438551583114253,0.6068538380123412,1.5912913151010382,3.168073565799762,4.824891019830653,5.965545124449403,6.57299138923721,6.858211643612708,6.965370001815325,2.5866071128336428,0.467144540848474,0.0183599744321626,9.26474483060183,2.338261585955544,5.760217997137258,0.3091479594596095,3.6164171017711935,7.968896728458889,0.5840800316527122,6.493165645753572,0.2410299093547139,24.129055825558144,3.6164171017711935,7.968896728458889,0.5840800316527122,6.493165645753572,0.2153743135084379,24.129055825558144,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,5.29673547820021,5.655680913777627,6.046988184861392,6.464244119510193,6.90007285176348,7.347304434584136,7.799647846214763,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_9,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.178824485511127,0.5438167835783391,1.4230512594739462,3.058086872895572,4.735687245197848,5.848323448815826,6.428995028357071,6.6991432283882135,6.800251377590204,2.4526907738190307,0.4394455845873022,0.0322915150354216,9.411869026065872,2.3710838229575497,6.262338486191289,0.3741909057754559,3.791010355547091,8.263273434920306,0.6209300342879995,8.039008547434928,0.4316794396703453,25.0410673975412,3.791010355547091,8.263273434920306,0.6209300342879995,8.039008547434928,0.4214016956358287,25.0410673975412,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,4.652086806503677,5.361712788105416,6.042784215963128,6.693197710311598,7.311744597124984,7.897739259651197,8.45093202917241,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_10,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1770514936768995,0.5594755141335209,1.6127095012917747,3.648696346008849,5.739900995880383,7.123137683045317,7.843893651759531,8.178972098032633,8.304344270187741,2.893115853885267,0.4450575132054432,0.0316429042616575,12.140349623196974,3.67281794609167,7.649741084125009,0.6564336511460216,4.411999256777498,9.677760331798352,0.6605159852818363,7.399464468831362,0.3854570616855489,25.871278466227377,4.411999256777498,9.677760331798352,0.6605159852818363,7.399464468831362,0.3526475949683941,25.871278466227377,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,4.157663062915411,4.888408504434469,5.598473942103187,6.281486205327142,6.933481078350043,7.552103017869077,8.136164875617801,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_11,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1459836769753243,0.6212359350874372,1.745641329867621,3.6949515571235207,5.760215728529005,7.175866096151829,7.9276257822730365,8.280149244665294,8.412522921726236,2.9700635902346377,0.4748902584259794,0.0189250700417734,11.768472423163262,3.667869897589777,7.038448701242698,0.5542013856496641,4.810204557104446,10.629326867317012,0.7148631103922033,7.046188262733729,0.2653496348751852,28.56012247771196,4.810204557104446,10.629326867317012,0.7148631103922033,7.046188262733729,0.2155936180536374,28.56012247771196,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,5.291522952676717,5.668978950833642,6.075772698121904,6.505669623335424,6.951535858249342,7.406460239782724,7.864404222363657,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_12,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1452926020034405,0.613289462018235,1.6283623739012094,3.298580497524172,5.095138515134267,6.355616247899016,7.0341688042960495,7.354432809652897,7.475023327227465,2.6780694144520285,0.4717819417164693,0.0186391949740264,10.83556488492346,2.9212703601799546,6.6014363305636055,0.3044859343952803,1.9369134613385883,4.246501158211632,0.3719561670184677,4.912562797486331,0.1679796453171261,16.35236438459979,1.9369134613385883,4.246501158211632,0.3719561670184677,4.912562797486331,0.1679796453171261,16.35236438459979,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1111,5.494060070262099,5.856292258730995,6.249819555848728,6.668004875487818,7.103404048062743,7.54888913912214,7.998279078741324,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_13,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1443183478534005,0.6077040802782533,1.594560145882119,3.2080517632647747,4.937288419404052,6.139201146253728,6.781914247070834,7.084226361203418,7.197887731313334,2.608227818133072,0.467922776889039,0.0184783847269585,10.450933094770996,2.7278113713308603,6.390616606552904,0.2373971832282714,1.4389027740579063,3.164433583125888,0.2858770836817113,3.725919443511597,0.1047204835567802,12.816881987430255,1.4389027740579063,3.164433583125888,0.2858770836817113,3.725919443511597,0.1047204835567802,12.816881987430255,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1111,5.54665532972321,5.920972932170202,6.3247427255870585,6.751254508636015,7.193122746679207,7.643373231822784,8.09603435139438,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_14,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140307867893355,0.5850602859608668,1.714212571364772,3.565995933015728,5.368639331720669,6.548929944093386,7.16307994976682,7.448578448809076,7.555406208059527,2.8992428664121643,0.4455208405712293,0.0182806152801342,11.983167290477818,3.647267854428379,7.242949221744725,0.5178172531593618,3.147708075667059,6.925733114664854,0.5134062330310583,5.873440833052598,0.2300238248339215,21.21958713176141,3.147708075667059,6.925733114664854,0.5134062330310583,5.873440833052598,0.210287866164451,21.21958713176141,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,3.333734515457506,3.827213912350535,4.352913770214745,4.9014092314816855,5.463001774709117,6.028917434955673,6.591913025567717,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_15,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1383987984509932,0.561751129620802,1.5617277052666036,3.228861777632866,4.890474785216008,5.988241612183144,6.561171115885446,6.827797035273463,6.927603536139169,2.622285933891412,0.4329319979045411,0.0178144929961523,11.634881679306588,3.0749912223228955,6.9753438599156095,0.2128644931434155,3.038491675435498,6.671953999206959,0.503110850385247,5.977983956435431,0.2483279209347526,20.82642567799321,3.038491675435498,6.671953999206959,0.503110850385247,5.977983956435431,0.2328222849050091,20.82642567799321,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,3.485533184074195,3.9869465801850015,4.518982621287316,5.072178197036694,5.63690585163577,6.204558725652512,6.768120863690014,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_16,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140262407382678,0.4841469700810065,1.4581950291559276,3.5425109700972404,5.8199494002250445,7.3670488502389055,8.181811225909616,8.562224000968259,8.704799815042843,2.7477452256778103,0.382321448087435,0.0200325998647806,13.358728354588315,3.3540520760843053,8.736308438649427,0.4217212360148271,6.013777493000299,13.30840249457489,0.8965538715577128,8.637181557996755,0.2928194703191271,36.04749864240561,6.013777493000299,13.30840249457489,0.8965538715577128,8.637181557996755,0.2278333716410521,36.04749864240561,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,3.294960891067902,3.951022329730215,4.633303900640893,5.3230371060336665,6.005651156215501,6.670712300083337,7.311387996831718,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_17,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405574502685012,0.5068354773076341,1.5835661049709373,3.65949802163096,5.795413866367245,7.216642329316946,7.959921566528531,8.306071378243026,8.435680318933356,2.8901502830137327,0.3935612595054514,0.0200600636652817,13.158236028863586,3.5787964628118227,8.649960200210987,0.693463072680806,2.3432586445629755,5.133466119987809,0.4461671021941706,5.91259546211634,0.2112458212280996,19.51540393077707,2.3432586445629755,5.133466119987809,0.4461671021941706,5.91259546211634,0.2112458212280996,19.51540393077707,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1111,3.4386584750222413,4.074917666846667,4.735559336084652,5.404016315921746,6.066986610753417,6.714641348946579,7.340324400179804,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_18,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417724197871395,0.5215124201689271,1.7025739311668335,3.961584805968176,6.248671429708535,7.756414963989392,8.54153982256176,8.90648740490544,9.043029171680368,3.129406589179771,0.4010953259106502,0.020384584890821,14.814774166529638,4.495530777271716,9.471889775000166,0.8343415899354468,2.07938552551783,4.575795976949313,0.415877105103566,5.406402366346359,0.1455569867862479,18.714469729660472,2.07938552551783,4.575795976949313,0.415877105103566,5.406402366346359,0.1455569867862479,18.714469729660472,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1111,3.297342221740552,3.958521311051814,4.645481294697712,5.339270496457313,6.025226091204574,6.692884311319243,7.335421838196501,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_19,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1389720966414604,0.5718374780305756,1.736101884977827,3.918052384440778,6.197858158319814,7.731991961955441,8.53876483434454,8.915416136366844,9.056590604914462,3.1059977796713767,0.4372585733542424,0.017936958440073,14.111457537599422,4.463518646049934,8.24143021460178,0.6083946597829823,5.568869175195107,12.30163394698656,0.8379832081169638,8.413523657628337,0.3147529773852716,33.66294408882092,5.568869175195107,12.30163394698656,0.8379832081169638,8.413523657628337,0.2596213890638076,33.66294408882092,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,3.48557996837125,3.983604675875909,4.513483324646251,5.065623687317797,5.6302212526868205,6.198478175740067,6.763196898323035,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_20,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398752773397019,0.568874833491533,1.640472512577727,3.56135855498229,5.580868091191085,6.954261318692547,7.680747381499265,8.020837522589089,8.14845325346973,2.8474925220377423,0.4371272315303258,0.0181799779546739,12.667195823020087,3.594015803612156,7.591657902837199,0.3501568484160089,5.498534414021703,12.171817726767172,0.7808098711464128,7.076161257217109,0.2630995349643967,30.610076431694026,5.498534414021703,12.171817726767172,0.7808098711464128,7.076161257217109,0.1964016474504552,30.610076431694026,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,3.467144730680915,3.96125961208588,4.487507415834842,5.036357173259673,5.598060754992723,6.163845713662193,6.726505175586095,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_21,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1446854912986971,0.6166293858569472,1.637384530687216,3.210874202563444,4.792990002942783,5.857491244029679,6.418812532480415,6.681288140459655,6.779737843860434,2.640441261679144,0.4726893816933545,0.0185526101076694,9.954567922018295,2.639675478649013,6.248533613928516,0.4464846925960823,0.9431577560833636,2.0738667419067567,0.1870662332945781,2.439687622439989,0.069308210562234,8.378847550203652,0.9431577560833636,2.0738667419067567,0.1870662332945781,2.439687622439989,0.069308210562234,8.378847550203652,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1111,5.615356440904242,5.983861194432503,6.383203693290873,6.806346563163341,7.245623398574109,7.693839149730198,8.144857557661897,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_22,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1443833725816241,0.616810024019684,1.6724231772225366,3.2915845421234504,4.869578374242261,5.910592981479867,6.4545399966669965,6.70788695467556,6.802759601233087,2.710705137566224,0.4718473849257948,0.0185001533224158,9.580345228148143,2.82546116543866,5.843543315843706,0.5189259349282067,4.508118875211823,9.960499209772951,0.6698328690981846,6.616147192326108,0.2512692569385847,26.746984406190155,4.508118875211823,9.960499209772951,0.6698328690981846,6.616147192326108,0.2048316192861391,26.746984406190155,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,5.332457551903117,5.697610909409905,6.094989629681083,6.5178828792912284,6.958720185760669,7.410227842094342,7.866081252046028,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_23,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1452471553772396,0.615394555820559,1.5771461818578345,2.876261053686949,4.1162229529579015,4.951995745093488,5.396039885876959,5.604618766007154,5.683014392048968,2.420386735331312,0.4724990627845005,0.0187140442021425,8.380408868239236,2.1025903846476086,5.190487700241616,0.1771390659383878,2.5967013577055065,5.688835968034964,0.4649976653750933,5.962099226596501,0.2357782300532059,19.82804614671477,2.5967013577055065,5.688835968034964,0.4649976653750933,5.962099226596501,0.2307127521373523,19.82804614671477,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,5.321115120994854,5.68094236651465,6.072955496270548,6.490718742245751,6.926863251034508,7.374226910778918,7.826517627180038,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_24,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1455151389436585,0.611294095247309,1.5805273697831457,3.0496440676936327,4.598848158648482,5.688782741519167,6.277431507176873,6.555734315021581,6.660602166854399,2.511689338414064,0.470366866689813,0.0188659006247934,9.155584652811308,2.293164575504135,5.702635529871466,0.2378709176462252,3.905135857478364,8.605662704405454,0.5902728027326517,6.196467392757138,0.2618565817480445,23.58761636779989,3.905135857478364,8.605662704405454,0.5902728027326517,6.196467392757138,0.2271301405111524,23.58761636779989,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,5.2189061858524415,5.609778945372306,6.027130049002594,6.465526068257925,6.918386749123759,7.379195586869161,7.842201732884484,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_25,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1448616926671388,0.6254056843045218,1.8389510954158352,3.9579840548882346,6.105295130489821,7.530716671063847,8.275817364677655,8.622771031549973,8.752676071293257,3.1802336224116465,0.4755425047299647,0.0185802712105207,13.30568273386724,4.465848353815334,7.844340758321105,0.8211441261237458,4.263233552417238,9.426437158484694,0.6237930239213202,5.981639696785228,0.2243476881959048,24.76434580424145,4.263233552417238,9.426437158484694,0.6237930239213202,5.981639696785228,0.177605716095868,24.76434580424145,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,5.28274093856146,5.671810187740496,6.087627071183731,6.524696882161983,6.976368275131108,7.436083773551145,7.898085261216905,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_26,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1449595267780997,0.6190352837381378,1.6883718870668505,3.4058223017380898,5.157184209377051,6.3450476683322,6.974327875094871,7.269251929220381,7.3799810633401615,2.779162813656896,0.4737936120596769,0.01857538277249,11.466344085455232,3.347201998291555,6.940379379248326,0.4419792553613331,1.1159942843110535,2.4518706470947302,0.2193535683932371,2.870822831456951,0.0861947056866182,9.774778365971333,1.1159942843110535,2.4518706470947302,0.2193535683932371,2.870822831456951,0.0861947056866182,9.774778365971333,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1111,5.539145299576336,5.928049297367103,6.342179514547408,6.7761076857938685,7.223301852922551,7.677366752897881,8.132730719922483,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_27,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1447711704018571,0.6159702433439299,1.5929126037819206,2.9668788100168704,4.318560610468737,5.240810583628823,5.733049958148142,5.964686703827864,6.051810665743799,2.4781726501103263,0.4725692762158803,0.0185629537919721,8.535291086735224,2.22928591866738,5.366226091183063,0.3169561684755879,1.6225743390119114,3.555637225261432,0.3099249526708673,4.1019739603788485,0.1442190255070152,13.58187499190115,1.6225743390119114,3.555637225261432,0.3099249526708673,4.1019739603788485,0.1442190255070152,13.58187499190115,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1111,5.573083921024633,5.943170320034211,6.342790767047229,6.7654313195618965,7.203816095920791,7.651016139508666,8.101061422298068,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_28,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1460002178158,0.62907504404877,1.642632159041823,3.0759159834366323,4.52941640312603,5.5454875793225415,6.094408655368883,6.354111568341966,6.452008148032485,2.562002943801404,0.4807158370983909,0.0188084887305223,9.128852434468197,2.490703122596483,5.763639677049116,0.3564869384345767,1.756993666487774,3.876767888019674,0.320903064642476,3.836395962473239,0.1043329795293588,14.038305451005517,1.756993666487774,3.876767888019674,0.320903064642476,3.836395962473239,0.0973640906557253,14.038305451005517,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,5.3209764575556,5.69096650580295,6.091402736756194,6.515752504861422,6.956677166488295,7.407146905493475,7.8610633658495805,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_29,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1438623647362391,0.6068322194503007,1.591105402369,3.1675966273945098,4.824184777508736,5.964717132281958,6.5721076409934325,6.85730357537847,6.964453081871757,2.586229530494229,0.467135797088798,0.0183627201002722,9.263174935620151,2.337265514642034,5.759324126913483,0.3086830986742619,3.615697699724412,7.96730055897465,0.5840000140248433,6.492725471023253,0.2410012941935689,24.12637302044785,3.615697699724412,7.96730055897465,0.5840000140248433,6.492725471023253,0.2153588321807131,24.12637302044785,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,5.296908837925311,5.655897772307943,6.047239321559276,6.464522982293597,6.900374937653998,7.347626880340149,7.799989103390886,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_30,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1788107135732863,0.5437930603869774,1.422965423205419,3.0578726948432258,4.735356178148885,5.847918411603157,6.428551611119593,6.698681923056063,6.799783366586417,2.452522112249357,0.4394254349958243,0.032286597060279,9.41103802131694,2.370615822311764,6.262013731588449,0.374069669122623,3.790053019864452,8.261152408424222,0.6208022056062614,8.037960171972237,0.4316367120479274,25.036218466330595,3.790053019864452,8.261152408424222,0.6208022056062614,8.037960171972237,0.421372276437323,25.036218466330595,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,4.652293307729311,5.361949719216759,6.043045405543015,6.693477582474171,7.312038294030446,7.898042655771521,8.451241692166553,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_31,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1770812636671295,0.5595854010716448,1.613147487483293,3.649556890250917,5.741048734035502,7.1244322875016906,7.8452554042355,8.180363243989415,8.305746139548392,2.8938428234282045,0.4451334699171492,0.0316530608221666,12.144192812742244,3.6749715058657872,7.651653325202508,0.6570664167503374,4.412303156554203,9.678434043875336,0.6605704355215781,7.400069841403003,0.3854688889927781,25.873669484192742,4.412303156554203,9.678434043875336,0.6605704355215781,7.400069841403003,0.3526575061452948,25.873669484192742,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,4.156824678865034,4.887566156161578,5.597644666559295,6.280680686638614,6.932705630800743,7.551361038823757,8.135457848750251,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_32,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1459704090446005,0.6211959324437697,1.745735230496205,3.6955323335685977,5.7612553911268485,7.177158657024108,7.929034324074549,8.281608189245626,8.414000166406323,2.970460567249046,0.4748547419568428,0.0189223428569002,11.771526164600086,3.6693802114152354,7.039924242355505,0.5545520335983168,4.810827374972543,10.630700051754744,0.7149465256664979,7.046953943165123,0.2653907351599352,28.56323455872836,4.810827374972543,10.630700051754744,0.7149465256664979,7.046953943165123,0.2156272260579438,28.56323455872836,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,5.292046164583749,5.6694922081203485,6.076277818715505,6.5061681656800525,6.952029179970368,7.406949520747236,7.864890477943497,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_33,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1452397827453215,0.6132009264872917,1.6282945259340205,3.29862968433356,5.095344468040609,6.355933726530497,7.034545339304323,7.354836885567859,7.47543771328004,2.6780690258961424,0.4716979085969094,0.0186253670725555,10.835978347949434,2.921439955060964,6.601584560566982,0.304465045264678,1.936968461991363,4.246610376808544,0.3719556168346286,4.912613396668393,0.1680077510230474,16.35205086846719,1.936968461991363,4.246610376808544,0.3719556168346286,4.912613396668393,0.1680077510230474,16.35205086846719,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1111,5.49476804798281,5.856984693137672,6.250499023764904,6.668673341409447,7.104063083013328,7.549540034872517,7.998922911669821,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_34,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1442892412604273,0.6076625783315239,1.594663909576095,3.2088283836631564,4.938897452655541,6.141370137008114,6.784372544497318,7.08681824069942,7.200529424591401,2.6087251245853342,0.4678810806299861,0.0184705346183389,10.45523687384929,2.7292426900596807,6.393173555502463,0.2376422931330347,1.4401422266492765,3.167154497153204,0.2861185544616999,3.729090662342876,0.1048207266885756,12.82758767907261,1.4401422266492765,3.167154497153204,0.2861185544616999,3.729090662342876,0.1048207266885756,12.82758767907261,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1111,5.547665782459645,5.922000028384627,6.32578473362441,6.752309406382427,7.194188466815572,7.644447811018727,8.097116011750472,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_35,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1403096552661553,0.5850575183433446,1.7142529625944225,3.566040737843204,5.368632128086031,6.548874677972209,7.162996902184727,7.448481959273443,7.55530460965797,2.8992957097481287,0.445516490285291,0.018281869809965,11.983457110329237,3.647558067430564,7.242984172241511,0.5178652634565472,3.149521064534382,6.9297987564914605,0.513542984675743,5.872747339993085,0.2300146412822064,21.22275231082926,3.149521064534382,6.9297987564914605,0.513542984675743,5.872747339993085,0.2102272469686744,21.22275231082926,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,3.335296744138563,3.828698953562037,4.354332761060974,4.902773478101315,5.464322164568138,6.030204011179576,6.593174737592097,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_36,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.13838414878263,0.5616963739418581,1.5616383750292728,3.228809310300011,4.890478561571144,5.988283328221057,6.5612323682045535,6.827867291055029,6.927677146543718,2.62221537594848,0.4328889333931245,0.0178114929678932,11.63494658465672,3.0748541604590294,6.975507930433653,0.2128483807322497,3.038023600069108,6.670957926753813,0.5030078385687575,5.976180973915682,0.2482282939183095,20.821932256034344,3.038023600069108,6.670957926753813,0.5030078385687575,5.976180973915682,0.2327153605654026,20.821932256034344,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,3.487442532865013,3.9888205216804127,4.520827806898782,5.073999746717089,5.638707685432801,6.206343839891324,6.7698915500429,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_37,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1402890003368867,0.4841875778764765,1.4581660737002435,3.542279481141654,5.819538185087687,7.366536471329609,8.181250783350674,8.56164217492541,8.704210136119379,2.7475872637431418,0.3823611893833775,0.0200400954312923,13.357281494030326,3.3535312131500445,8.73549334867846,0.4215994731543329,6.013316529414427,13.307388790671467,0.8964729842600038,8.636201219206905,0.2927851136068861,36.04404707762608,6.013316529414427,13.307388790671467,0.8964729842600038,8.636201219206905,0.2278008395456353,36.04404707762608,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,3.2949376198652853,3.950990381009216,4.633267082548933,5.3229983645276,6.005612675972488,6.670675643422579,7.311354241375936,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_38,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406084795284029,0.5069039172759177,1.5836018264616392,3.659477439583029,5.795348723064887,7.216550017330861,7.959815210490559,8.305958470414478,8.435564953104542,2.890148356587338,0.3936301474079832,0.0200745967687881,13.157662715394975,3.5786292646443623,8.649678530765566,0.6935012693487752,2.343675449205089,5.134377767328394,0.4462450337469573,5.913635719180747,0.2112863992418827,19.518775116261573,2.343675449205089,5.134377767328394,0.4462450337469573,5.913635719180747,0.2112863992418827,19.518775116261573,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1111,3.438308695807264,4.074603197537872,4.73527327929105,5.403752457318301,6.0667395563979305,6.71440654884686,7.340098102958816,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_39,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418254784745653,0.5216108050452495,1.7027456404790178,3.9618103702397134,6.248932959996184,7.756703258559668,8.54184369884054,8.906798926521674,9.043343619406418,3.129617421716778,0.4011819535693715,0.0203996139107155,14.815640715896391,4.495964620505921,9.472386906996377,0.8345555104412624,2.079841085877193,4.576798461209229,0.4159682171754386,5.407586823280702,0.1455888760114033,18.71856977289474,2.079841085877193,4.576798461209229,0.4159682171754386,5.407586823280702,0.1455888760114033,18.71856977289474,5.0,11.00276,1.0,13.0,0.3499999999999996,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1111,3.2976271611378767,3.9588044253427888,4.6457635079443245,5.339551826896359,6.025506108742154,6.693162422058894,7.335697444452451,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_40,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1389236616097657,0.5717490553974803,1.7357889685435086,3.9172432361226632,6.1965800281783485,7.730430810911563,8.537064290899385,8.913652578473554,9.054803753703723,3.105369898940005,0.4371836298673855,0.0179236709791685,14.107052213703644,4.461359642220216,8.239047657595595,0.607888432982943,5.573095373522262,12.311087498206064,0.8384088363673489,8.414321620288746,0.3147715946900272,33.676650672611245,5.573095373522262,12.311087498206064,0.8384088363673489,8.414321620288746,0.2595423883447085,33.676650672611245,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,3.485847963782892,3.983845667978826,4.513699568027061,5.065818601368827,5.630398806076268,6.198642456674485,6.763351833771754,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_41,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1398832168155644,0.5688664144144633,1.640350222889024,3.561218438932953,5.580801098738704,6.954250231393203,7.680764426534519,8.020867206726994,8.148487584490237,2.84734025702163,0.4371301751104177,0.0181818868406961,12.666539050410096,3.5936507703757314,7.591279883436484,0.3500459365956097,5.495305797497415,12.164596295651055,0.7804799110898867,7.0754482150639575,0.2630843674229197,30.59931724132235,5.495305797497415,12.164596295651055,0.7804799110898867,7.0754482150639575,0.1964601264064546,30.59931724132235,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,3.46769818277038,3.961841339558823,4.48810992183282,5.036973501020844,5.5986847063151375,6.164471961047057,6.727129280445839,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_42,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1446813852897288,0.6166465719410567,1.6374222309028363,3.2108925145803986,4.793005455417297,5.8575203721751485,6.418853470489943,6.681335601667628,6.779787909288773,2.6404667552226364,0.4726992298102289,0.0185507997196803,9.955031573363122,2.6399142350127773,6.248724789265882,0.446488332761504,0.944003856187192,2.0757095479724152,0.1872167967292226,2.441738230020973,0.0694066164003566,8.385156490109622,0.944003856187192,2.0757095479724152,0.1872167967292226,2.441738230020973,0.0694066164003566,8.385156490109622,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1111,5.615982893077831,5.984428635969294,6.383715818312879,6.80680206403738,7.246015709424447,7.6941565212741985,8.145083632238936,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_43,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1444120849725969,0.6168622195160506,1.6724532339989373,3.2916244163749084,4.8696831479147775,5.910757885655671,6.454740405879969,6.708104749984069,6.802984039686259,2.710732838149456,0.4718972368343914,0.0185073632673124,9.58087242371569,2.825457664985372,5.843876013541578,0.5189232086107356,4.509780805568151,9.964235683626214,0.6699818561135641,6.615871546338847,0.251240209986546,26.751413694210456,4.509780805568151,9.964235683626214,0.6699818561135641,6.615871546338847,0.2047578655845772,26.751413694210456,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,5.335646475186706,5.700796518327487,6.098166718386728,6.521033898383792,6.961817636496357,7.413236526275178,7.86896051955659,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_44,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1452459535117113,0.6154001633289191,1.577300034502552,2.876758373692448,4.117047245208755,4.953019336083966,5.397162529387889,5.605786424175876,5.684198730312184,2.420758192098587,0.4724980537672189,0.0187141387295538,8.38204521039257,2.1033049487416884,5.191537473899815,0.1774034491897412,2.5964951085746555,5.688366696964573,0.4649653677760945,5.9619226475143385,0.2357938244128349,19.826603951485275,2.5964951085746555,5.688366696964573,0.4649653677760945,5.9619226475143385,0.230732461508991,19.826603951485275,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,5.318580156987771,5.678366512106536,6.070348461904738,6.488091813235596,6.924226170318461,7.37158589963309,7.823874535048961,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_45,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1455028738798412,0.6112687549822889,1.5804883753196044,3.049432994147012,4.598407354603476,5.688200761158528,6.276782992456256,6.555056745119327,6.659914044068902,2.511555373691723,0.4703426554198689,0.0188631063952632,9.1543226739323,2.292949829150177,5.701720608092851,0.2378522251047397,3.905340768808924,8.60612327619809,0.5902898616221769,6.196408664551236,0.2618533363499456,23.58808125318129,3.905340768808924,8.60612327619809,0.5902898616221769,6.196408664551236,0.2271211792465869,23.58808125318129,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,5.218614654967101,5.609492793382406,6.026846240400155,6.465243322230583,6.918104929748624,7.37891524705874,7.841923788985378,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_46,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1448283207138775,0.6253195938103726,1.838768436340103,3.957551528597276,6.104569006779891,7.529784818186575,8.274775299205798,8.6216770714807,8.751562590182669,3.1798999662342555,0.4754687888918665,0.0185726058849071,13.302854543323324,4.464690517242065,7.842864506889767,0.8209707958159107,4.262987489962385,9.425894134663228,0.6237651521772591,5.981444780055299,0.2243321180675358,24.76342276800288,4.262987489962385,9.425894134663228,0.6237651521772591,5.981444780055299,0.1775940619628906,24.76342276800288,28.0,62.53806,3.0,14.0,0.8399999999999999,101.0,0.0,0.0,0.0,0.0,-0.3000000000000002,0.0,RSM1111,5.282720998382072,5.671813638045425,6.087646424893799,6.524726662507566,6.976404518348857,7.436123665724015,7.898126858996992,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_47,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1449281074733048,0.6189402886801544,1.6883115921777083,3.4059602293090743,5.157487870002748,6.345434803329978,6.974751038180082,7.269690210631893,7.38042474347688,2.779228998529735,0.4737129871025811,0.0185687211593461,11.46650458341862,3.347228754176445,6.940802764841387,0.4420786768167106,1.1158738601359697,2.451620850806997,0.2193443486014326,2.870628648947431,0.0861550594036165,9.774735101420438,1.1158738601359697,2.451620850806997,0.2193443486014326,2.870628648947431,0.0861550594036165,9.774735101420438,6.0,12.99876,1.0,14.0,0.8399999999999999,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1111,5.539053454260244,5.928001308070245,6.342165534113209,6.776119778142924,7.22333357307822,7.67741287480364,8.132787029385508,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_48,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4266752796559759,1.3884292962603673,2.57416180520761,3.947169400540132,5.253140467090858,6.1365727415051055,6.606569881719847,6.827447004207334,6.910480049086985,3.468429269478503,1.150710854757221,0.0562094537832438,8.681955383806725,6.464629271025467,4.328026111250316,1.7693510045278713,3.712497911395905,8.169544703918081,0.7424995822791809,9.652494569629352,0.259874853797713,33.41248120256314,-3.712497911395905,-8.169544703918081,-0.7424995822791809,-9.652494569629352,-0.259874853797713,-33.41248120256314,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,12.728040783176583,13.327513813917149,13.898558937241198,14.440062361402598,14.951207585405395,15.431732801318269,15.881968436467972,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_49,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1119714163889324,0.8113068685630257,2.491246020375106,4.671819309096271,6.505666066141499,7.634474919707005,8.207649819697842,8.471471800625826,8.56980148186543,3.93712428600953,0.5792164148195482,0.0044861097138309,15.312753397779208,7.267189855183319,9.220596086889636,2.3092841029453703,2.0675072936320418,4.500655111729833,0.3486908967330665,4.683320762156669,0.2498487466213111,16.833641713136803,-1.3228940596208978,-2.96009936697363,-0.3293893739175214,-4.160675040524292,0.0062476569785534,-16.29319907430154,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,7.696592381145162,8.387246568753406,9.072587365359372,9.75246092362606,10.424423899195158,11.084849303787784,11.7298080898611,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_50,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1000714320469198,0.7490908118080292,2.447955951088828,4.946066189073059,7.1099771441933735,8.42381021931738,9.082008253061366,9.382761395412365,9.494493464849336,4.084093376064157,0.5326134002691287,0.0035407953594565,18.54373269750896,8.023542822282087,11.178601491816783,2.223340185632299,1.713649831130944,3.7692141748253016,0.3410077749305181,4.441712030575089,0.1235720899000745,15.388404654265084,-1.6964279181742368,-3.7348392365637135,-0.3410077749305181,-4.424490117618382,-0.1151333525512879,-15.388404654265084,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,7.27043144854481,8.027467370605553,8.780265490033662,9.52426081749193,10.254462612885066,10.966081103744,11.654945572878788,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_51,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1108267627633573,0.7903431757910172,2.4309547266835976,4.737851254930279,6.802577149893383,8.105128463971543,8.772237189184109,9.080277657773468,9.19522708107508,3.938253110138751,0.5669429482530692,0.0044736878312079,16.389576842991204,7.444994755122473,9.706463033868346,2.1959019344985613,1.871905716843279,4.061778585679034,0.3182122637371898,4.417603826740798,0.248988047405108,15.723773858960191,-1.3102169205286194,-2.9406477482349715,-0.3182122637371898,-3.8559150304261376,0.0262394627890754,-15.723773858960191,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,7.492783956270699,8.197765240984454,8.90017107850137,9.598573590418956,10.289577113174875,10.968871388478243,11.632057703692508,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_52,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4276679867828036,1.3889749517550565,2.5867359999499,4.150687709457906,5.811035452487452,6.982886491732041,7.615403702787722,7.914233251881022,8.026793790014858,3.57841373436669,1.1517594367351869,0.0565056843601395,10.375015878183268,6.965253849882484,5.11285110334248,1.7685674321528564,3.697446748831215,8.136423838034027,0.7394893497662429,9.613361546961158,0.2588212724181847,33.277020739480925,-3.697446748831215,-8.136423838034027,-0.7394893497662429,-9.613361546961158,-0.2588212724181847,-33.277020739480925,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,12.731604963456611,13.348131495784124,13.934964104965132,14.490871202698438,15.015011305656287,15.507168873891464,15.9677639949487,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_53,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3107024584480931,1.1752830370201708,2.5907209251471235,4.56937039677007,6.4482032154557904,7.668799430215619,8.30145029795103,8.595004647492626,8.70475986678453,3.867298504795549,0.9414984820782868,0.0371613005084898,14.050875564706704,8.044826477172448,7.498805446020131,1.9820340976181408,2.425769625697112,5.33715882749488,0.4842999869015635,6.300169520909621,0.1715971440983015,21.814847866516832,-2.4172302433185227,-5.320114220267215,-0.4842999869015635,-6.29163013853103,-0.1674128467327926,-21.814847866516832,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,8.675736300422303,9.568966688957223,10.431536806781017,11.253934810184472,12.03061504547244,12.7590019414208,13.438641721526308,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_54,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1095892315967721,0.7689198477785474,2.339163413611709,4.593588739160091,6.708919442162237,8.092203561543888,8.813920501413525,9.149999298244769,9.275852340432102,3.800682111249458,0.553818118535125,0.0044325199492128,15.711879795133283,6.91644468684744,9.368166749097847,1.933197792795396,1.8103664801814,3.930651352806872,0.3101019382502238,4.291181986183191,0.2358655049634155,15.253871165911471,-1.290652902320839,-2.893303051397194,-0.3101019382502238,-3.771468408322631,0.018794148188259,-15.253871165911471,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,7.409695445701391,8.164728103236184,8.915760007026599,9.659222353705278,10.390394756118813,11.104319974455692,11.796465706096908,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_55,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2183289074564493,0.917097342756559,2.2099484956371818,4.132323912136338,6.05954216850718,7.36419742818282,8.05561177187313,8.379781632906976,8.501514912172299,3.438117129077352,0.719065553797359,0.0232684459415616,13.056398294951178,5.851943015286023,7.9292813688812,1.7621850242229489,2.234623783745022,4.917951340064463,0.4425546026114316,5.724654269146542,0.1566118587220162,19.88559354835643,-2.1629187226526647,-4.759069617473979,-0.4369538986681057,-5.717357303402433,-0.1530363455074024,-19.728773837943304,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,9.708409065717444,10.423338508789367,11.121903478417313,11.79988237943688,12.45361706161027,13.0802705027065,13.677884361585736,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_56,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2189939221657027,0.9361616202514974,2.24425673021764,4.026999879935513,5.770079568362263,6.95831603504419,7.592672723227585,7.891262656187757,8.003584189391008,3.3950963502925786,0.7302872184609391,0.0233157040740308,11.389214693502822,5.617053079842174,6.889756991674596,1.8429547531597352,2.2696274469080584,4.993365938491467,0.4528819610299395,5.892683135147574,0.1610653308220754,20.405776455139083,-2.2591921633913365,-4.972537112592089,-0.4528819610299395,-5.882247851630852,-0.1559520418988818,-20.405776455139083,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,9.8210399251553,10.553056516838272,11.261309559365392,11.943090435412502,12.596494096373364,13.22022032249942,13.813490934592853,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_57,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2196085147300924,0.9207912236196956,2.265966508931534,4.348724288647279,6.4188503270417065,7.795612141223159,8.517509825174244,8.854258127075909,8.980443603363204,3.5947626650386897,0.7214125775770931,0.0236250049314313,14.248317731288612,6.342724453932351,8.581063689389648,1.8567349906827724,2.25342780018225,4.958750480351697,0.4506517571941875,5.8586418577357495,0.1578109319815085,20.280174144795,-2.253089771759625,-4.958075775620138,-0.4506517571941875,-5.858303829313125,-0.1576452980544223,-20.280174144795,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,9.839851179982585,10.56146753750399,11.265294107697423,11.947495922228006,12.604696261150776,13.234258486866535,13.834364532463706,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_58,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1101010128542518,0.7689638476358412,2.3356315034248385,4.657547392773579,6.9189411883173895,8.424979226739243,9.216440796460548,9.586055675228664,9.724622297457254,3.828724876959689,0.5544956430739724,0.0044702503754635,16.295861324114878,7.055533129003277,9.767591385651532,1.931860867954432,1.7537062097278708,3.806073274948576,0.2988733234891341,4.144692797640944,0.2316820634394749,14.745997518422037,-1.2350270251634703,-2.7707896225580337,-0.2988733234891341,-3.6260136130765432,0.0224707369970812,-14.745997518422037,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,7.576198360645003,8.33440810749476,9.08770951073327,9.832732152360077,10.564952397934416,11.279581476205404,11.97221842617171,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_59,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3105041931583586,1.1728572801487616,2.5843258539535943,4.696875975325876,6.872277726508882,8.34981994151404,9.131104091110757,9.49675193569345,9.63393982334883,3.9236630121259672,0.9402011526377828,0.0371650613962563,15.294323249523602,8.302494678880526,8.213024508216058,1.9527717499195485,2.4285733246783607,5.343323915267548,0.4848562313832566,6.307423175744415,0.1718028431875577,21.83999125105694,-2.419988989154205,-5.326189581561334,-0.4848562313832566,-6.298838840220259,-0.1675965187807215,-21.83999125105694,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,9.200341592398534,10.093940411114325,10.956550428378284,11.778737695643832,12.555003034377677,13.282805374836297,13.961721133328233,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_60,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4268804770381156,1.3894038893068346,2.5897009750139186,4.041795494867795,5.45734650394197,6.416602133365355,6.925780709904456,7.164686860814779,7.254428676660159,3.5284705158334337,1.1513432935244536,0.0562448428382571,9.47262643731829,6.753384969972085,4.721167499976186,1.7965193160073378,3.7072464655447854,8.157988624247512,0.7414492931089574,9.638840810416443,0.2595072525881348,33.365218189903075,-3.7072464655447854,-8.157988624247512,-0.7414492931089574,-9.638840810416443,-0.2595072525881348,-33.365218189903075,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,13.131013795319802,13.740378855186645,14.318616792128154,14.865415426779837,15.380489554578832,15.863942465851304,16.316362710476895,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_61,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1118361345983243,0.815544769569647,2.5598810207243905,4.965802618848722,7.121344426236406,8.501262663772918,9.215395876992856,9.546893080478949,9.670878576245526,4.135703124447682,0.5807974363885788,0.0044780001190657,17.244139260821935,8.265944631525246,9.991337362248908,2.411196945443061,2.742466086180525,6.023109647950564,0.3963775815223623,4.468692427253972,0.2537604755510241,17.666697705809877,-0.4186462228734026,-0.9330823659626744,-0.2358448802884232,-3.990998628137149,-0.0196905139837808,-13.171782071259583,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,7.974377836074226,8.676250496820156,9.370627402532488,10.057703841433955,10.735378328486547,11.400321062711946,12.048846531011067,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_62,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0985467342591895,0.7445765206802325,2.481248957245051,5.211514995496784,7.74190300719488,9.346506060711462,10.16841881145812,10.547828879607216,10.68938608942412,4.245367873685936,0.5285326925137293,0.0034334104427156,20.62105740467447,8.866704584804548,12.088065373346383,2.275513716071984,3.006226048507406,6.684668258138122,0.402468977864251,3.485991561092931,0.1392350182451221,15.545547446418722,0.5037508867140532,1.1778415359034355,-0.0980260544944195,-3.477108244624534,-0.1348821931756076,-7.021145592063441,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,7.683483616961463,8.447571028867841,9.20608708013079,9.954717723310248,10.688592500732128,11.402985867552095,12.093778492844049,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_63,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1101569496386701,0.7911033037332439,2.470535713079713,4.960059659509077,7.31503880038261,8.851828928663616,9.651909560301124,10.024059714192436,10.16335231157344,4.079116306571746,0.5666116870402979,0.0043896681778478,18.108376358748668,8.141538332293948,10.53122263820359,2.262803329199983,2.1125678127974568,4.600485651946892,0.3106668695154831,3.93391575549491,0.2643467848938624,14.950212167374316,-0.62521920823159,-1.4241570527526195,-0.2368905346903262,-3.294995001418348,0.0487243846036533,-12.884474792269922,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,7.716778203461965,8.433348692319724,9.145794053352144,9.8526578288942,10.550618139556532,11.2354891516363,11.90301975737144,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_64,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4280018923199118,1.3904896337904096,2.5987225272969385,4.224901346767555,5.9656747245347095,7.187088717352629,7.842945330603703,8.151948279611915,8.268199471330389,3.625537447769155,1.152958542380048,0.0565081927893194,11.224395416197666,7.175127173061463,5.7027237593209295,1.8025008699676688,3.694891214296313,8.130797949997305,0.7389759926687217,9.606699155646089,0.2586471104008779,33.253975924856,-3.694868712390903,-8.130753036194104,-0.7389759926687217,-9.606676653740678,-0.2586360844672267,-33.253975924856,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,12.879312500956932,13.514017804926898,14.114909104215108,14.68191465117514,15.214983273889304,15.714449184944332,16.18112215158517,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_65,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1002240944387561,0.4459005625272565,1.3217202729662236,3.0982350392393285,5.135692189498042,6.574406047327629,7.347055754635112,7.711002187706933,7.84790634280554,2.4128064161923994,0.3409067393288582,0.0097442613720105,7.935731138468385,3.0408216986545007,4.526632509948062,0.6735100520119819,9.552019982676526,21.25596930027047,1.0005988626319633,5.829810008274919,0.4879170238611543,35.52282475851429,6.06103184272207,13.573868366917404,0.3024012346410716,-5.201259301516224,-0.1799271775493937,0.961177965130692,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,15.53536486660707,16.184082101052105,16.719252109375418,17.1683772986024,17.552556479601144,17.88779768134811,18.186106823217568,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_66,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1012592886074694,0.4220318033784752,1.0271991613596254,2.149138529745436,3.494042927165093,4.473177749094787,5.006287391816614,5.258872008762965,5.354109916236305,1.711413986679245,0.3316080166980436,0.009948228426938,3.856399962064125,1.310584949384992,2.514471558032306,0.4967653816720327,7.993511466428429,17.74368894274836,0.97390561592308,7.818756101063072,0.4510154395710464,37.53916884554126,2.680011025392071,6.051054920224922,-0.0887944722841914,-7.324011761089789,-0.2085907129841369,-12.75605682365238,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,15.690070360181206,16.316586916653797,16.831185312465188,17.26144941694618,17.628442884565658,17.94808845297742,18.232292702964063,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_67,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1018386468875791,0.4273156539136447,1.0763882900931456,2.2982876588886647,3.754140466809248,4.817919423092079,5.399490504604073,5.675673262100489,5.779917381865312,1.823403511908096,0.3346955203469046,0.0100160169835327,4.050743275309872,1.5339424982269811,2.613336275969509,0.5322417815281374,8.482049626193843,18.84572283586521,1.0036647070118052,7.575706246546082,0.4549822140695,37.91047442291428,3.4096586870436845,7.6836628099364495,-0.0108134808182271,-7.101787034534703,-0.2227618001839237,-10.11064008949408,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,15.24724295740257,15.918171022073754,16.474750565446524,16.94334319554946,17.34460343307472,17.694489044928716,18.00516845026745,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_68,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4266477949963103,1.3883749302606267,2.574083960458278,3.946945826019904,5.25263710335606,6.135834931140723,6.605698326994399,6.826510979397971,6.909519556008633,3.468277067647416,1.1506608784802108,0.0562034735261026,8.680636874015425,6.464172149443354,4.327164170575056,1.7692265005347816,3.712678518973701,8.169942140284615,0.7425357037947401,9.652964149331622,0.2598874963281588,33.4141066707633,-3.712678518973701,-8.169942140284615,-0.7425357037947401,-9.652964149331622,-0.2598874963281588,-33.4141066707633,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,12.736677205160609,13.336162962354637,13.90721845299494,14.448730994964198,14.959884599811751,15.440417695192446,15.890660819585015,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_69,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1119738028399875,0.8113032652020051,2.491215670399209,4.6717357519948415,6.505516846383859,7.634277503187462,8.20742614417235,8.471235689248305,8.56956068300386,3.937061747370176,0.5792158739591113,0.0044863846010056,15.312197468739695,7.266936211276029,9.220312203297247,2.3092322877273457,2.067584013013392,4.500819197614022,0.3487006292778141,4.683465291614939,0.2498641084740802,16.834192322665587,-1.3229090821975449,-2.9601371640385974,-0.3293979897643733,-4.16077071520366,0.0062562339674465,-16.293718416289245,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,7.7026810849864065,8.393359301983526,9.078721581857282,9.75861323258857,10.43059082323736,11.091027622221556,11.735994973956336,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_70,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1000701648153252,0.7490751121303993,2.4479352036425577,4.946053801953508,7.109972380487578,8.423811777187716,9.08201389167932,9.382769149515529,9.49450204825421,4.084078062760639,0.5326013696672334,0.0035410730412771,18.543594114859648,8.023412174571805,11.17851354193469,2.223294266263204,1.7137134628249753,3.769354434547161,0.3410207309129309,4.441879310128424,0.1235760618670828,15.388981932383496,-1.696493846304334,-3.734984079971961,-0.3410207309129309,-4.424659693607782,-0.1151384497719685,-15.388981932383496,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,7.277638429366747,8.03465169979877,8.787431516681062,9.531413049858925,10.261605363492492,10.973218279272055,11.662080570275991,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_71,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1108249812729675,0.7903423536487929,2.430948548663362,4.7378952948957,6.802727275454935,8.105368508963828,8.77252900372787,9.080594565230982,9.195553536551213,3.938270693625792,0.5669426821561052,0.0044731674630227,16.38973338548561,7.445017873861693,9.706499939551987,2.195950109768304,1.8717214402708828,4.061380564746422,0.3181827310079971,4.41718328833486,0.2489597706159386,15.722261821514357,-1.310105869809088,-2.940395886104679,-0.3181827310079971,-3.8555677178730647,0.0262318589103409,-15.722261821514357,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,7.497461742926266,8.20255060165156,8.905045017713375,9.603521537558342,10.294587811698197,10.973936045710712,11.637169356209997,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_72,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4275925183840086,1.3889014509016688,2.5867448932056933,4.151018441961104,5.811851939211767,6.984067000935857,7.616781081739708,7.9157032526832145,8.028298587796767,3.578601633344908,1.1516788906497892,0.0564820333633595,10.377572107322084,6.965877930041042,5.11435154479835,1.768604572608201,3.697217561671368,8.135919499771052,0.7394435123342735,9.612765660345556,0.2588052293169955,33.27495805504231,-3.697217561671368,-8.135919499771052,-0.7394435123342735,-9.612765660345556,-0.2588052293169955,-33.27495805504231,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,12.739294631866548,13.355793650304491,13.942606236242908,14.498499209235016,15.022629686747702,15.514780993200953,15.9753723320957,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_73,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3106855957516832,1.175240543085469,2.59069336653723,4.569358711206461,6.448179071667082,7.668759051317054,8.301399942769187,8.594949385806602,8.704702730760632,3.867285331865753,0.941459320958032,0.0371590951592884,14.050810640572134,8.044801512565384,7.498721008512996,1.982013938877454,2.4257026941849227,5.337010386055961,0.4842854711397151,6.299986463302644,0.17159483075721,21.81422289371892,-2.4171520172122287,-5.319943234818464,-0.4842854711397151,-6.2914357863299495,-0.1674049990405902,-21.81422289371892,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,8.686425365198632,9.5795801781531,10.442088856308194,11.264436996244896,12.041076659733989,12.769430374059228,13.449042835379474,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_74,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1095962358197086,0.7689428101414437,2.339183119486546,4.593590479301809,6.708917063679418,8.09220477651124,8.813925014370055,9.150005612797155,9.27585936838146,3.8006889985826975,0.5538381617622515,0.0044329182166242,15.711544408877744,6.916457792773907,9.36788026116807,1.9332327789011536,1.810273280584738,3.9304491766118415,0.3100861478398685,4.290962463303687,0.2358529970227977,15.25308935972106,-1.290588197813947,-2.8931577514013425,-0.3100861478398685,-3.771277380532896,0.0187926935348899,-15.25308935972106,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,7.410352124471305,8.165361207039373,8.916374784376766,9.65982288657822,10.390984203495172,11.10490075243338,11.79703963688055,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_75,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2183532281154498,0.9171239822476752,2.2099507423675693,4.132252098348518,6.0593868147942365,7.363992493859597,8.05538374474685,8.379543571558024,8.501273214011725,3.4380753159156936,0.7190940205844185,0.0232757842477837,13.055689848986823,5.851768374510899,7.928888817320019,1.7621958057525386,2.234625504955312,4.917954021172901,0.4425639428596585,5.724834309253883,0.1566115623762854,19.886073850878315,-2.1630679577642207,-4.759399123601491,-0.4369747496842479,-5.717552483580016,-0.15304346779609,-19.729576441966817,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,9.706590158300846,10.421501520359914,11.12005478533891,11.798026784032547,12.451758100253326,13.07841072457044,13.676025563155962,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_76,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190321251523492,0.9362016448342628,2.2442636980347723,4.026933943564141,5.769978141489783,6.958215336345774,7.592579356776043,7.8911742093897,8.003497821138673,3.395054177460283,0.7303288885362095,0.0233291670238162,11.388610932991694,5.61684421895137,6.889561773411055,1.8429727590882552,2.269724689642916,4.99358150631927,0.4529029545465328,5.892948326015177,0.1610688933773093,20.40668253914524,-2.2593048558224136,-4.972783518013549,-0.4529029545465328,-5.882528492194676,-0.1559631748052634,-20.40668253914524,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,9.815610210153094,10.547712405257034,11.256049582089574,11.93791195719268,12.591393790974983,13.215194497169296,13.808535741277558,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_77,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2196671370417489,0.9208844982619432,2.266041040793469,4.348727952270954,6.418833285542396,7.795615592303429,8.51753399329987,8.854294131807645,8.980484385674863,3.594788764326302,0.7215016782257295,0.0236405351986083,14.247883320164718,6.342664094849801,8.580872703518699,1.8568614046186949,2.2532546151693404,4.958370228938202,0.4506179524621606,5.858198234866625,0.1577970612624394,20.27863212508992,-2.2529249094522656,-4.957712136326921,-0.4506179524621606,-5.857868529149549,-0.1576355054610727,-20.27863212508992,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,9.83876880776578,10.560288533062382,11.264033716866804,11.94616681939824,12.603309008019364,13.232821916536375,13.832886056362094,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_78,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1100887558506383,0.7689322369171473,2.335578544395784,4.657425220456132,6.91876032382741,8.42477137487523,9.21622230894488,9.585832972916778,9.724398131507613,3.828628553974296,0.5544668452583894,0.0044692473720387,16.294676507213335,7.055005252737076,9.767008779086742,1.9317791390087964,1.7538029827354782,3.8062860086917927,0.2988924627007095,4.144942684341154,0.2316892898688944,14.74686416769158,-1.2351216442716162,-2.770998057117924,-0.2988924627007095,-3.626261345877292,0.022464565978398,-14.74686416769158,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,7.574467341100775,8.332666872918086,9.085965762246683,9.830991002357576,10.56321685864048,11.277852981528762,11.970497304816057,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_79,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.3104620123230503,1.1727968479460815,2.5842339916644543,4.696650236126526,6.871908480167879,8.349364484123555,9.13060689760298,9.496236075052824,9.633417096506182,3.923490479821723,0.9401421399714576,0.0371536706717752,15.292684417046992,8.301785819485715,8.212128820655694,1.95264528355016,2.428436289355618,5.343023489475415,0.4848299267879085,6.307075703658888,0.1717909355296451,21.838779982536263,-2.4198629785234664,-5.32591116105444,-0.4848299267879085,-6.298502392826735,-0.1675900132218905,-21.838779982536263,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,9.200977767696909,10.094623868223294,10.957275550613945,11.779499621781268,12.555797380748889,13.283628155766,13.962568747632462,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_80,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4269042439620418,1.3894483860930973,2.5897656096334463,4.041916426410546,5.457569243043889,6.416914626613951,6.926146364882256,7.165078637521627,7.254830450292026,3.528565624607658,1.1513839211638912,0.0562505007144537,9.473494212756933,6.753768779955694,4.721670641741078,1.7966156931964634,3.70724324906137,8.157981546208495,0.7414486498122739,9.63883244755956,0.2595070274342956,33.36518924155233,-3.70724324906137,-8.157981546208495,-0.7414486498122739,-9.63883244755956,-0.2595070274342956,-33.36518924155233,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,13.132703775795022,13.74211475598026,14.320387124924054,14.867211183413694,15.382303276787916,15.865767683435443,16.318193624023035,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_81,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.111853259905887,0.8156098510716877,2.560006386326712,4.9660404872375326,7.121757986966355,8.501818026056743,9.216031228390657,9.547566827645674,9.671566871950771,4.135892202998533,0.5808498189517215,0.0044795593199807,17.245814778692406,8.26677172838098,9.992167023220103,2.4113983704438007,2.7422642308695737,6.022660541066431,0.396365309713349,4.468730635009556,0.2537476562753102,17.66637314630612,-0.4189132698379113,-0.9336749304704266,-0.2358701904281479,-3.991073545757705,-0.0196956825419038,-13.172509806320493,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,7.975995144279203,8.677715337617315,9.371957967220377,10.05891838239869,10.736493621751578,11.401351857864002,12.049805484565532,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_82,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0985481457889573,0.7445810556681626,2.481269698462149,5.211554493809424,7.74195498831663,9.346567204622229,10.168485402784594,10.54789818220941,10.689456436604775,4.245402026367084,0.528536230793529,0.0034334110825462,20.621254198185923,8.866875781060488,12.088197671665489,2.275536475596114,3.006006835903411,6.684178096572011,0.4024546749413239,3.486039704846058,0.1392257242610411,15.545215219226687,0.5034626034834747,1.1771993808318553,-0.0980541715426634,-3.477176054543768,-0.1348825356129189,-7.022001124064193,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,7.684151089207727,8.448237481964345,9.206754565387888,9.955386700092584,10.68926235438929,11.40365534751682,12.094446047633484,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_83,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1101718419928935,0.7911299799407161,2.470556676346852,4.960075091820833,7.315045422063787,8.85182918770454,9.651906628813515,10.024055355985148,10.163347430495543,4.079134144985591,0.5666382904657764,0.0043912782485292,18.10850273130712,8.141601894650906,10.531291189304143,2.2628075017554647,2.112892199263232,4.601215002297464,0.3107014293006485,3.9340489674089696,0.2643497606246863,14.95123925011564,-0.6249806124880034,-1.4236164893473409,-0.2368731330495985,-3.2951627875208165,0.0487044675205087,-12.88404695508624,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,7.716744515449614,8.433294651701468,9.145722819708592,9.85257144758038,10.550517927847212,11.23537600898532,11.902894370894892,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_84,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.4279348207747574,1.3903892428133915,2.598643951511379,4.224811239346413,5.965496890021301,7.1868235077591045,7.842627634437715,8.15160480103552,8.267846137268764,3.6254616299833855,1.1528596660280066,0.0564909628588392,11.22372038311682,7.1747393410895866,5.702464197311127,1.80243053447866,3.6949433764023456,8.130912829203686,0.7389865167826305,9.60683551066339,0.2586505691936251,33.254447217664335,-3.694921791423959,-8.130869745586825,-0.7389865167826305,-9.606813925685003,-0.2586399925542157,-33.254447217664335,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1111,12.877744350759688,13.512577795914972,14.113575062868188,14.680669869736183,15.213814767757604,15.713346602199366,16.180077067467842,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_85,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1002355053815946,0.4459323313901292,1.321875328998444,3.0986514691911538,5.136382147979637,6.575281371012908,7.348029207413705,7.7120216186137664,7.848943034525477,2.4131254394324166,0.3409296694287158,0.0097467528253501,7.938232461962153,3.0416846919240883,4.527948046252638,0.6735716318471459,9.55204157062456,21.256013240620263,1.000621598924751,5.830238655824787,0.4879200109254518,35.52400663957393,6.060700973709149,13.573136707396856,0.3023534795416689,-5.201709513854913,-0.1799407313602132,0.9592955574858448,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,15.53819969206459,16.18676863104517,16.721808940798848,17.170821590047904,17.55490343708599,17.89006049481865,18.18829680611361,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_86,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1012946019933946,0.4220715484346062,1.0270950471989315,2.1486721528803443,3.493239855233269,4.472184986728227,5.005206132819598,5.2577519268832935,5.352975678017625,1.7110816150049892,0.3316538590009809,0.0099555769553471,3.854111684673202,1.3097165551255223,2.513256873119541,0.4966838997566819,7.99371553734272,17.744148473448302,0.97391327502051,7.818575470265049,0.4510198180967498,37.53911595220898,2.6803862689385936,6.051891125203059,-0.0887525786603156,-7.3238216721259715,-0.2085904570086017,-12.754616454123548,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,15.691196643324496,16.31756563585311,16.83204286819671,17.26220689182077,17.62911711271594,17.94869292750386,18.232838302413416,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_87,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1018061360471793,0.4272838980398322,1.0764297521867006,2.298389442105792,3.754276075768178,4.818077312782904,5.399660982867629,5.675849872940748,5.7800963352072525,1.823489356370685,0.3346567451412675,0.010009133992965,4.050899372601946,1.5340402415717374,2.613464311454712,0.5322590525016643,8.481859106774738,18.84529334869136,1.0036535304894822,7.575806031871375,0.4549800464356138,37.91034251691047,3.4093689790017034,7.683015053040158,-0.0108444950651243,-7.10188185347505,-0.2227571990214144,-10.111689525028456,23.0,51.5353,2.0,1.0,0.4900000000000002,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM1111,15.248309249184834,15.919154357010704,16.475657875311157,16.944182502886395,17.345382787953625,17.695216005299393,18.005849864029184,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_88,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975186512675074,0.6323994494699867,1.9696664681602043,4.041459628703928,6.039266276712604,7.347910539196925,8.02931162587483,8.346176111757867,8.464756205220704,3.300727337962456,0.4579506761192164,0.0047428806713044,13.417220059537229,4.999242857075877,8.19191878684747,1.1499759204909668,5.645339395104199,12.496022672263416,0.6196329151983806,4.962066823430704,0.5625334387627714,22.976462108829,1.6539188197035593,3.9403474405014,0.0439360134205064,-4.962066823430704,-0.5625334387627714,-0.0514139622859742,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1111,9.599985883084052,10.434638513613397,11.247401348420906,12.03192060179708,12.783049583300182,13.49709329535346,14.171789971797857,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_89,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2703904193027003,1.002888100647376,2.2482640013634425,4.009568151331083,5.718126711782826,6.849123922572472,7.441393120046898,7.717535999260905,7.820990950825948,3.381095176078056,0.8019625979697579,0.0367669146253471,11.840031269471876,5.738643652436528,7.047033830202019,1.8672374658708304,3.051352787917071,6.565248509941178,0.4641835281578295,6.764821013179708,0.5203774569479233,19.898599221163654,-3.051352787917071,-6.565248509941178,-0.4641835281578295,-6.764821013179708,-0.5203774569479233,-17.23608303146271,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1111,10.232516926822544,10.977735908794292,11.698666974951056,12.392707014984625,13.057194898711328,13.689917185008593,14.289357027476264,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_90,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0951565913316257,0.5931494548032548,1.9599117126848264,4.258816280131945,6.488224551487217,7.938447364795075,8.690228688424092,9.039090230597296,9.169529826973449,3.4304739390574737,0.4308696932529053,0.0046454074173627,15.019232802147474,5.327463816633386,9.285283036694674,1.2831534775442908,6.038251615056177,13.309831266308214,0.6432695402922454,5.492990994055704,0.6972505458296622,25.07372497554592,1.3271114880876806,3.2753929325815383,0.0263089236299235,-5.492990994055704,-0.6972505458296622,0.3953003090530569,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1111,9.848401611310504,10.726628756984764,11.567939695287553,12.369274975459575,13.12829077031882,13.84360330737348,14.514803811739672,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_91,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2690290209843722,1.0096083771466071,2.369998402642366,4.511494129302728,6.704585599299839,8.18291642349077,8.961570955662673,9.325348217041975,9.461735048277127,3.727128031430987,0.8038649080145686,0.0361604421290133,14.79159899291883,7.094886321696635,8.510126100922264,2.0679157709709943,3.082600152972115,6.633092836749936,0.4619363964933199,6.704307528492628,0.5286022348921972,19.882627025282098,-2.987115239950173,-6.418081211674122,-0.4532559498549616,-6.704307528492628,-0.5286022348921972,-16.725066828649165,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1111,10.379853602564689,11.13367169391274,11.86208020252116,12.562538147421211,13.232485884917908,13.869830432126706,14.473177711959654,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_92,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0965562367418625,0.6322281159900927,2.018482287130372,4.305457293367233,6.631045680380918,8.195851373246235,9.020073220864193,9.405206666889477,9.54961472798264,3.4700968971892907,0.4564850082660458,0.0046485007810858,15.317745474710009,5.6618096356071534,9.18624450138975,1.21422296388346,6.829403850640072,15.181890207558183,0.7119801246148884,4.720376541688336,0.6024706961830348,25.42752893743488,3.2710139569574905,7.5620928786199055,0.2062396760757991,-4.720376541688336,-0.6024706961830348,5.197910995871316,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1111,9.905585411128548,10.728636079735573,11.531416069137178,12.30741724742085,13.051240985833724,13.75893656526552,14.42802283637196,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_93,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0992127882330975,0.4271659144591063,1.2632100261267905,3.034607960057305,5.08319823235366,6.5289995903180165,7.304864835261928,7.670188387253299,7.807588935201851,2.3469983233772047,0.3291337720605447,0.0097385582556493,8.08901494363828,2.8710329143527624,4.784633858503433,0.5801886891745178,8.062400572900287,17.867358098674043,0.9126127012371849,7.376107318561909,0.7561384298453162,33.22882265239463,2.2739692514049388,5.407938521198859,0.0270572827905632,-7.376107318561909,-0.7561384298453162,-2.193394085470224,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1111,16.69805204401772,17.269996985018057,17.744328737138694,18.14387844267004,18.48635182792493,18.78532246580317,19.05107258921539,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_94,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0996417780791959,0.4122858914110743,1.0760738525119744,2.29963970557093,3.6655873129952674,4.624147498252543,5.138418815259562,5.380649779097328,5.471773910352911,1.8342249052330888,0.3220791081692646,0.0099388172094466,4.13852289099696,1.6149841278928967,2.586702574603344,0.4660031823919477,7.46974125963771,16.48730415296189,0.8825827953192226,8.122688060245418,0.7815148571407393,33.17064090507845,0.822596526410148,2.1852689963272334,-0.1287339056785081,-8.122688060245418,-0.7815148571407393,-7.282027134830773,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1111,17.320125224450123,17.824533188610477,18.24151661279136,18.591998470042093,18.8921421940434,19.154295085706025,19.387774570953784,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_95,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1007602576875219,0.4214989117985817,1.1063527251460343,2.383546715950549,3.831266939738348,4.855526853816594,5.406797762118709,5.666771625334442,5.764615521722973,1.895120221503927,0.3287845722010091,0.0100085789417275,4.426114281287563,1.6758594209334083,2.819748047570777,0.5428527305684394,8.1225119401351,17.95484086708816,0.9613383083484236,8.60757912832632,0.8083181185591221,35.60273365994986,1.2024330086364137,3.042943010215324,-0.1136160402782861,-8.60757912832632,-0.8083181185591221,-7.39544028511853,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1111,17.064268830356532,17.567798034815944,17.99078684193028,18.350874164527323,18.6622537602717,18.93612852359449,19.181179005296627,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_96,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0975353476948495,0.6324466194969708,1.969732294347246,4.041572327496177,6.039466100774103,7.348184490386606,8.029628462061064,8.346513783945323,8.46510181362215,3.3008177626927884,0.4579919199723697,0.0047444298264464,13.41744196313584,4.9995080488258825,8.19201211664058,1.1500662025564006,5.645274988184443,12.495886451016297,0.619627775418881,4.961984158788391,0.5625163305911907,22.976135069830143,1.6539536424294528,3.940417044464205,0.0439384637278367,-4.961984158788391,-0.5625163305911907,-0.051437397811626,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1111,9.599291794819775,10.434354679425882,11.247478622754562,12.032315625446364,12.78372470822484,13.498016046548736,14.172932374512888,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_97,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2703874799401817,1.0028978145526035,2.2482505769524184,4.009478860371318,5.717969706585548,6.84893210189799,7.4411864137297075,7.717323120933093,7.820775883886105,3.3810339477396503,0.8019704662987381,0.0367630051652883,11.839312480910747,5.738401114590311,7.046678551108412,1.867259935779214,3.05115543782987,6.564824034328809,0.4641536434944511,6.764384585785481,0.5203435131982893,19.89731362409385,-3.05115543782987,-6.564824034328809,-0.4641536434944511,-6.764384585785481,-0.5203435131982893,-17.234977855462223,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM1111,10.23834276784252,10.983287141412235,11.703983014577242,12.397821878835174,13.062137502040528,13.69471193039548,14.29402445237794,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_98,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.095138340837565,0.5931067687556205,1.9598416482947767,4.258705242084014,6.488097213270644,7.93832225267937,8.69010807969856,9.03897239523274,9.16941313278192,3.430375427959892,0.4308312491848494,0.0046435824668331,15.018326199540816,5.327097080251972,9.2848175929347,1.2830203284151926,6.038800004252973,13.311068523046046,0.6433296543009164,5.4932496031756095,0.6972697063744812,25.075504009908027,1.327560465197808,3.276401531693186,0.0263394792855182,-5.4932496031756095,-0.6972697063744812,0.3958970092921036,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1111,9.848568884137723,10.726714418181468,11.567945976528971,12.369203493669314,13.128142938046995,13.843380602218026,14.51450792491439,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_99,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.2690675756667365,1.0096938870784569,2.370253575316427,4.512061211681878,6.705417513208022,8.183897302976927,8.962622432650257,9.326431020994892,9.462829340080622,3.7275857830323096,0.8039354020158959,0.0361715619243325,14.795005985376068,7.096585638789218,8.511939790086807,2.068337636716168,3.0822269325395872,6.632251414759728,0.4618946530793968,6.704110871566577,0.5285886997803547,19.88137952564,-2.9874026805760527,-6.41872745724622,-0.4532742665372573,-6.704110871566577,-0.5285886997803547,-16.725377259026168,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1111,10.380198554088205,11.133987785490628,11.862364647404885,12.562789607213071,13.232704271541111,13.870016600757369,14.473333157199386,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_100,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0965609010120244,0.632259231801062,2.018594648598472,4.30568475787052,6.631352268351449,8.196193627187606,9.020429647571694,9.40556874693956,9.549978777260309,3.4702867498609526,0.4565066091228074,0.0046489249507475,15.31929085489919,5.662446487514209,9.187068919571251,1.2143863894983251,6.828910991582855,15.180779385443604,0.7119287043240441,4.720179366485309,0.6024503052447232,25.42598532707816,3.2705918150746607,7.561143314094969,0.2062079144630028,-4.720179366485309,-0.6024503052447232,5.197153732636516,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1111,9.9057048029984,10.72853321968492,11.53112483706826,12.306969814097195,13.050666403153524,13.75826020748457,14.427266344541014,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_101,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0992241330631783,0.4271873354903941,1.2633504193636722,3.0350600101639063,5.08396618474548,6.529965748388019,7.305930813589355,7.671299999141783,7.808717498502944,2.3473329216366228,0.3291504304252917,0.0097410534670343,8.091794807880536,2.8718941996865417,4.786182837093409,0.5802232697185575,8.062599613597925,17.86779511380291,0.9126468849913664,7.376534567976437,0.7561569320927275,33.23006783957633,2.273828784175794,5.407633401007616,0.0270284238971536,-7.376534567976437,-0.7561569320927275,-2.19467060419218,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1111,16.70905434964344,17.27970252160182,17.752978403196693,18.151661463161787,18.493417382944543,18.791788930458743,19.057034629464223,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_102,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0996781791047178,0.4123454395612409,1.0760975198826517,2.299451254860344,3.6651352597614895,4.623523750721809,5.137708496418809,5.3798999982755,5.471009497359277,1.834125901886141,0.3221364537055877,0.0099461740696373,4.136961944599139,1.6146273737553485,2.5859606260782617,0.4660687023838596,7.469735691554312,16.487315179340612,0.8825422008319427,8.12175345696858,0.7815006925159297,33.168980788277814,0.823384102993217,2.187018886024314,-0.1286222195094399,-8.12175345696858,-0.7815006925159297,-7.277596025377486,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1111,17.31917435579969,17.823557231531325,18.24052184578886,18.590989222411167,18.891121542628188,19.153265274447584,19.38673727348089,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM1111_103,RSM1111.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1007261059474648,0.4214475459402019,1.1063464002538863,2.38360179010421,3.831377429836925,4.855676834392826,5.406969242744467,5.666953281375188,5.76480101109007,1.8951551706484664,0.3287322817244447,0.0100016830791202,4.426325349766115,1.6758807245198644,2.819866813374569,0.5428195620717349,8.12292191178874,17.955766087971977,0.961382167115442,8.607750861907263,0.8083326439452525,35.60402656275853,1.2027854123118649,3.043734495701528,-0.1135905921972051,-8.607750861907263,-0.8083326439452525,-7.3948838097473475,22.0,49.5393,2.0,0.0,0.0,61.0,-6.0,-12.99876,-1.0,-14.0,-1.14,-40.0,RSM1111,17.07005053934065,17.572701081893175,17.99498608756916,18.35450254134736,18.665413612081057,18.93889961353713,19.183624226799694,"Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C.[C]#N.[Cu],pcu.cat0","linker Cc1[nH][n-]c(c1Cc1cccc(n1)Cc1c(C)[n-][nH]c1C)C, [C]#N, nodes [Cu], topology pcu"
RSM0268_0,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,20.0,40.078,4.0,2.0,1.0,176.0,0.0006264554297268,0.0858329104941922,0.786303174300653,2.3894029717967165,4.169378720790672,5.403146734329744,6.060746093995428,6.369550606567667,6.485571143918574,1.7768592816455202,0.0404053368557341,8.942754331630057e-08,5.19967314462077,1.6401334301250476,3.1434143805911443,0.1556458520623595,12.397791922347842,24.93052595602869,2.056827417478264,13.26124357278258,2.369534002326954,111.98895961173922,-12.397791922347842,-24.93052595602869,-2.056827417478264,13.147588737826052,2.369534002326954,-111.98895961173922,-12.0,-24.0786,-2.0,14.0,2.44,-110.0,-19.0,-39.070060000000005,-3.0,-1.0,1.2000000000000002,-145.0,RSM0268,20.79643160493588,21.26414967868072,21.63341245446936,21.92946407196064,22.17011777714088,22.36817550558681,22.53299843029869,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_1,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,20.0,40.078,4.0,2.0,1.0,176.0,0.000345637437431,0.0661474308019391,0.7495798056557693,2.517968709542252,4.49623103305241,5.84105227980591,6.54817728335791,6.877996572667231,7.001551480715944,1.833054171307517,0.0293997867090108,2.8070747967836488e-08,6.370864478798715,1.7866783910600073,3.846795672436736,0.130868530262387,12.642996970906037,25.48529467508452,2.079594107591688,12.765721211264026,2.3080804259684715,112.69206833511346,-12.540651515854206,-25.21842321517825,-2.079594107591688,12.58378956162469,2.3080804259684715,-112.69206833511346,9.0,23.468,0.0,14.0,2.44,-44.0,-19.0,-39.070060000000005,-3.0,-1.0,0.8999999999999999,-145.0,RSM0268,21.5647638099618,21.91957735188687,22.19808375748833,22.4203382483001,22.60032512783497,22.74799878510296,22.87058109005889,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_2,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0055726846266755,0.2129957829712241,1.2328651569432676,3.133339049503174,5.059787770999446,6.339463404162612,7.008701640263704,7.320396422744492,7.437109811313699,2.4355417198492773,0.1199860499562648,1.0342919891889e-05,7.86522295471251,2.9184583691353803,4.667656574790392,0.5067713189276771,21.12258222063329,47.7905825494412,1.9934812143501992,4.850052512379648,1.4654985232566222,65.10756250350708,-21.12258222063329,-47.7905825494412,-1.9934812143501992,4.79428622140412,1.4599218941590693,-64.83492730318228,-9.0,-23.468,0.0,5.0,1.54,44.0,-23.0,-51.5353,-2.0,-9.0,-0.8999999999999999,-66.0,RSM0268,20.58942447258405,20.96852870049036,21.27190359045338,21.517938833404504,21.719896896217264,21.88749774623317,22.027973266344272,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_3,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,29.0,63.546,4.0,11.0,1.9,132.0,0.0056008936341968,0.2132754292017024,1.233069588354038,3.131130039835542,5.053778609391362,6.330717294073629,6.998518815458263,7.309548204689404,7.426013350577234,2.4344595706255325,0.1201973784459609,1.0481748273394044e-05,7.848999323446044,2.916206697354206,4.658954980766461,0.5069513150216826,21.119614913636752,47.784670385522666,1.993489376549777,4.853593672112741,1.4670368602547414,65.12787512608574,-21.119614913636752,-47.784670385522666,-1.993489376549777,4.796683132072374,1.4613458062507043,-64.84964581922172,-9.0,-23.468,0.0,5.0,1.54,44.0,-23.0,-51.5353,-2.0,-9.0,-0.8999999999999999,-66.0,RSM0268,20.54403697525108,20.92941241853856,21.23792959089384,21.48821160593331,21.69370419244845,21.864269919596016,22.00725155552982,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_4,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1423684539237301,0.4878099448213959,1.4129253984659458,3.322987788286987,5.4367755152294,6.893985845127389,7.667532125926602,8.030023224066518,8.166089526608165,2.5940186766308577,0.3859130214049447,0.0206453645514949,10.408689749821818,3.0595675269477107,6.543106424887633,0.419265217898681,5.772326007975217,12.327847838660324,0.918542770538845,10.839148654813988,0.4835131805407489,36.71971862642105,5.772326007975217,12.327847838660324,0.918542770538845,10.839148654813988,0.4835131805407489,36.71971862642105,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0268,3.638664511210464,4.367137646750468,5.1065172076814775,5.838667211511806,6.550575863269012,7.233722060708509,7.883205938118214,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_5,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417010962041931,0.4748673202450165,1.3779763531751743,3.2895058301523563,5.358120471868278,6.75271056031222,7.483998958062958,7.824732695906062,7.952324600756937,2.562825907209737,0.3783540549182907,0.0205059601657337,9.959093077039896,2.8826608387647554,6.240790709935335,0.4137878041960256,4.944795686458231,10.628815094292282,0.7946919068639077,10.159747183920013,0.6654350333697417,31.719818128773653,4.944795686458231,10.628815094292282,0.7946919068639077,10.159747183920013,0.6004337281364461,31.719818128773653,19.0,39.070060000000005,3.0,15.0,1.2399999999999998,145.0,0.0,0.0,0.0,0.0,-1.2000000000000002,0.0,RSM0268,3.727219411973667,4.450166220556123,5.18193370310842,5.905537307125819,6.608779204464176,7.283659942183255,7.925580141899468,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_6,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1418971558514669,0.4832923227869247,1.368240818888563,3.1736067023709693,5.150380290411913,6.503707072864881,7.219755848979296,7.554826084383685,7.680526798847164,2.4869938696242726,0.3836527082356704,0.0205156099754498,9.385215011935108,2.583147661521236,6.1619434435227465,0.4943386892599961,5.026134555230724,10.754577282492118,0.813946465506914,9.6515087698556,0.4104569629084301,32.90656590838497,5.026134555230724,10.754577282492118,0.813946465506914,9.6515087698556,0.4104569629084301,32.90656590838497,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0268,3.832605908730382,4.567970272117049,5.311010002316378,6.043978462683178,6.7543408704836505,7.434062007520882,8.078691553439176,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_7,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1405489896577487,0.471312043967534,1.3216967013477616,3.051311778212712,4.931216012768513,6.215919924142081,6.895661196203688,7.213800983768952,7.33316349376879,2.395697729504006,0.3761037837882942,0.0201794311791697,8.743439571830768,2.454001296292604,5.615016709548155,0.3464564193166102,5.893959234368625,12.62213198156736,0.943297598946132,11.242571675232664,0.7203957933392511,38.06972996231266,5.893959234368625,12.62213198156736,0.943297598946132,11.242571675232664,0.6178265657985516,38.06972996231266,19.0,39.070060000000005,3.0,15.0,1.2399999999999998,145.0,0.0,0.0,0.0,0.0,-1.2000000000000002,0.0,RSM0268,3.5694461203631622,4.287179560031209,5.01766848897592,5.742900386028018,6.449833702146447,7.129818489990275,7.777772530766444,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_8,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1424070809179693,0.4886426329601795,1.417212368412545,3.3328279339705427,5.45160505671905,6.911755802372579,7.686717094150183,8.049838444779084,8.186136053836575,2.601895534511722,0.3863895572298667,0.0206523073444267,10.451958122010245,3.0828718285506578,6.566484125518048,0.4254703359763216,5.767105895633909,12.317034361351029,0.9180754157291008,10.831565063462469,0.4822852889324734,36.71233071174492,5.767105895633909,12.317034361351029,0.9180754157291008,10.831565063462469,0.4822852889324734,36.71233071174492,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0268,3.636997128267291,4.365441506704318,5.104778724644361,5.83688437149043,6.548754192397374,7.231871267081582,7.881337425079827,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_9,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1416508121514043,0.4747120347681589,1.3774718945938662,3.2892552462227944,5.358781973593154,6.75415055481428,7.485878295322254,7.826822276691239,7.954493705793605,2.5623767221999985,0.3782435852158724,0.0204916701238546,9.969882446379687,2.884443980573727,6.24516034661586,0.4121978827133148,4.974854784154721,10.69044085233974,0.7990946263518388,10.163699689889524,0.6675228183717555,31.92069437073365,4.974854784154721,10.69044085233974,0.7990946263518388,10.163699689889524,0.5993274723873476,31.92069437073365,19.0,39.070060000000005,3.0,15.0,1.2399999999999998,145.0,0.0,0.0,0.0,0.0,-1.2000000000000002,0.0,RSM0268,3.7277133830207343,4.450270022381845,5.181590204040617,5.904726465118999,6.607511404517712,7.281967460623965,7.923508987369777,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_10,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419424208210081,0.4840490669276889,1.3726349953567565,3.185888139197926,5.170287869698612,6.528175309247016,7.246444080391179,7.58251081730775,7.708578675667876,2.496348824927659,0.3840974946126778,0.0205245788606958,9.44341185051687,2.6115554929054,6.193052001578011,0.5022007727811081,5.01395911725265,10.729733163287428,0.8123781876792527,9.645128586092731,0.4108968550943565,32.84734656961854,5.01395911725265,10.729733163287428,0.8123781876792527,9.645128586092731,0.4108968550943565,32.84734656961854,15.0,31.05706,2.0,15.0,1.2399999999999998,74.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM0268,3.8360023226397737,4.572554306620538,5.316624909244586,6.050434895049299,6.76144429898665,7.441630186202285,8.086563776476487,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_11,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406160792038053,0.4711500231851673,1.3199400560266945,3.0498488707500635,4.932362904273645,6.219284412515765,6.900251523154088,7.218970772394598,7.338551239511209,2.3937310131312635,0.3760864876914288,0.0201987763774406,8.76366054357047,2.4543016465409284,5.624438341479137,0.3423013598897117,5.909054537287708,12.652755228925024,0.9450415068384668,11.24975342353522,0.7201377645396145,38.12833850378778,5.909054537287708,12.652755228925024,0.9450415068384668,11.24975342353522,0.6176767558714612,38.12833850378778,19.0,39.070060000000005,3.0,15.0,1.2399999999999998,145.0,0.0,0.0,0.0,0.0,-1.2000000000000002,0.0,RSM0268,3.5805364257423604,4.299392512980446,5.030681449442623,5.756420078287565,6.463609004208807,7.14364397906354,7.79148645626975,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_12,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1600025327397645,0.7751058534886405,1.766358424558612,3.2418138471298823,4.8424535197896805,5.969959926104257,6.576953825996748,6.863327643049443,6.971131203430688,2.6932094247782885,0.6049333016647306,0.010113522657422,6.800080913573092,3.6615989426374553,3.901429182682646,1.0903075517302057,1.8712602872171,3.82239239969449,0.0979766958862217,2.471280896741355,0.6197699557121783,10.84486590004829,1.006363926833331,1.919142984059268,-0.0750025761905319,0.222550359743557,0.5592272104853145,-10.178616428873289,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0268,6.710066212129765,7.504869472486045,8.293005832388683,9.067992753001198,9.8249240163152,10.559873945589995,11.269677116700848,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_13,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0740313662198965,0.5979415987648947,1.9090544391341344,3.7822750370060896,5.532970530426892,6.677337102131825,7.274610046822808,7.552818475319865,7.657015275825049,3.1248888980705227,0.421370739435921,0.0024684453177607,9.760629562336554,4.658257052534467,5.623488106737777,1.32257418785828,3.428742520964532,7.058998518872507,0.3726463843081318,2.382144349807683,0.1851016350587904,14.194185495296356,2.189524788329196,4.332035458886349,0.1248028377810643,-0.912084958406697,0.0826993663791079,0.1836664763819981,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0268,8.383909891536993,9.197388976832954,9.99880913114692,10.78269874642407,11.543506525026237,12.276380230240182,12.97755028926842,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_14,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2195018861654089,0.9084574751492442,2.157165304931149,4.0709354728785465,6.034732518841037,7.367798872232851,8.072907440169882,8.402983965452075,8.526840114451257,3.371413814112517,0.7151608371815524,0.0238177266051817,10.96417551755722,5.830743879443114,6.08166174841257,1.6957453914488825,2.727487649551516,6.020735240905575,0.413805726770363,4.493994673256974,0.187599520736016,17.667721109406862,-0.5528258456757561,-1.1977651816437866,-0.2422569722750913,-4.292143546076839,-0.097775769140856,-12.864355983539252,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0268,9.416063817858587,10.21399041405587,10.982535234973808,11.718935666830689,12.42127219271834,13.08832790347257,13.719521956296738,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_15,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2176477528162876,0.903475971428065,2.131569556461314,3.9996996630525263,5.92040577793669,7.222985252540103,7.911052977876297,8.232901088986614,8.353626689583013,3.316201517345347,0.7110510405790132,0.0235663371120339,10.585048198637,5.589086145456715,5.89958716787113,1.653598685396314,2.748820145954022,6.056240467021156,0.4238362331499627,4.769223320844994,0.2064313934058193,18.45253699442036,-0.7282718020407557,-1.5952811733226484,-0.2715821564489927,-4.4995968589928825,-0.08644761788163,-14.189422846793194,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0268,9.386004133130008,10.183754661703132,10.954264801355208,11.69388360155811,12.400072358614317,13.071194621500664,13.706396561513808,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_16,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0769598628374189,0.5996717746519004,1.8711328809639207,3.667277197158887,5.366008782842816,6.493069587501089,7.086501440226165,7.364085867878841,7.468234857958914,3.0360698437888693,0.4254654845725748,0.0026375215033603,9.44262713911013,4.298302027054089,5.631633196657698,1.2550440115667345,2.993408912340249,6.090068145478922,0.3145349979074456,1.897808195987417,0.1677299746690238,11.998011481062596,2.1038959460676905,4.132648608521911,0.1366324046529339,-0.418737735015275,0.1046380863129027,1.083301714059054,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0268,8.45075077329526,9.2456482782939,10.03030885096924,10.799435889997024,11.54753065734572,12.269682208737189,12.96198308060965,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_17,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1536495377850757,0.7761897221366127,1.8352985155502035,3.437325147704574,5.153321129738294,6.34744430417143,6.985920129937079,7.286171467981796,7.399043858773619,2.8432209341792,0.6009031371693156,0.0088913485371035,7.904359845690707,4.010962389739577,4.453242200113077,1.1594938237629837,1.3179683330588263,2.644806055423911,0.0224955535009626,1.3212667902807218,0.5161528805982999,6.583139948043022,1.2019822752970928,2.389572704044212,-0.000701658051384,1.0162308293164484,0.507281544218496,-5.953431787194421,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0268,6.661780546518868,7.448465091492892,8.235768026332467,9.016457384473997,9.784138916806478,10.5332224839117,11.259019105400313,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_18,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583487817545997,0.7720690760458555,1.7623160906400028,3.236076141031891,4.807266969798532,5.89613879102362,6.477092323527405,6.750031212571274,6.852595671465393,2.690214044905787,0.6022454278919108,0.009840485188446,6.983849531410727,3.640423575167405,4.088295534697832,1.079571126510316,1.4378083100794203,2.8710011559974085,0.0213697395148507,1.2866786618954886,0.5485243831980927,6.791086957168352,1.4254156426201237,2.843730446834519,0.0188912060229914,1.2544577265013177,0.547656896475942,-5.623519536570926,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0268,6.725142478729025,7.524886627915345,8.318695655319098,9.099627109064802,9.862375532824805,10.602716562011478,11.317291884357704,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_19,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0751775112755155,0.5985225678048355,1.865710820177872,3.565112911192124,5.098897775530857,6.094347182777226,6.613785812386452,6.8558635483331525,6.946557018959576,2.9795126439619013,0.4230379723175523,0.0025498870620985,8.76570663234178,4.084291364393405,5.28088999455291,1.292485780321898,3.1675651663676327,6.39634214533616,0.3146192221556989,1.4199791808395388,0.1413271014754716,11.202327132844571,2.686710296544196,5.338195999836459,0.2184482481910117,0.1697565192986046,0.1076672605878311,4.256629507210035,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0268,8.463999434741226,9.264612187291611,10.054031671800312,10.826826007131686,11.57750331127814,12.301255938850902,12.99432856833341,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_20,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178369116898873,0.9006063310543572,2.07546981942319,3.747114285304848,5.431916604413094,6.579017640903077,7.188065131940368,7.473770276712982,7.581076577577587,3.143930095893476,0.7100224429319472,0.0235989591543321,9.194418514205523,4.91890368512746,5.3571944719557,1.5742896206816732,1.6937829388022672,3.683208213711357,0.2960322496494271,4.062040935997684,0.1986729396743328,14.38955968699988,-1.2665395576920049,-2.8311353765941054,-0.2960322496494271,-3.634797554887424,-0.0085496350802659,-14.38955968699988,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0268,9.44875299454796,10.239474331030827,11.00496330655233,11.74094749624246,12.444400040347224,13.113338679501997,13.746682422340957,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_21,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.215724700205189,0.8969681731886604,2.091777767930082,3.8305470316002816,5.559607897404841,6.71458812872849,7.321002896931656,7.603966249433531,7.71000423460469,3.203277495217596,0.706304496048822,0.0231846815871325,9.383269421143368,5.14091073083709,5.309860208829534,1.5995922654165744,1.7391601784783903,3.761411844193418,0.2948442764314929,3.993899087534931,0.2157191371567383,14.534900141913251,-1.0937100276194254,-2.472466353575543,-0.2717297647880701,-3.510250518179927,-0.0004955237937612,-13.37917455974211,14.0,28.067300000000003,2.0,2.0,0.8900000000000001,100.0,-5.0,-11.00276,-1.0,-13.0,-1.5499999999999998,-45.0,RSM0268,9.438686307187744,10.241891439038932,11.017179007403344,11.760785610495828,12.470103558793149,13.143488743227488,13.780132879076696,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_22,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0735802838422763,0.5916254030052338,1.8590974046764268,3.6060368421499054,5.224974364845053,6.2900803318181495,6.8490550096110505,7.110171555999656,7.208089351555221,2.99764791588427,0.4176554987109347,0.0024332223023255,8.971171141426714,4.158227276672723,5.366694601287044,1.2639249962331822,3.267136658468109,6.616246007971475,0.3255549983341876,1.8067897558096715,0.2000666120690674,12.489848537160205,2.566388922977482,5.074214177142107,0.1854054512360623,-0.0544058545746347,0.1459442854123528,2.4653847437574163,14.0,28.067300000000003,2.0,2.0,0.8900000000000001,100.0,-5.0,-11.00276,-1.0,-13.0,-1.5499999999999998,-45.0,RSM0268,8.313609402623834,9.134016938579176,9.94480676232948,10.73878712406144,11.509407153997092,12.251285641960138,12.96041789969008,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_23,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.157427993594106,0.7702068683478991,1.7779117028689555,3.3038502164538133,4.931614921025515,6.060251443195464,6.662885538435566,6.946144629731863,7.052610643030548,2.7381755147405085,0.6002272394707898,0.009729081808007,7.103699776251412,3.792885961674719,4.09259961266007,1.1018317215162787,1.6600102777898085,3.377951710164258,0.085300542727426,1.97648255782308,0.520552121199724,9.067873086724813,1.0355315563741891,2.003753810795675,-0.0395952015556978,0.3524038835240046,0.4767445776666297,-7.742707525157006,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0268,6.594025933430738,7.386657724448936,8.177265037122396,8.9584526584543,9.724220680664189,10.46961767698155,11.190628603345663,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_24,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1600379086674038,0.7751320173784112,1.7650986016539223,3.2374621362934715,4.835669613761962,5.961985054756038,6.568470340006461,6.854631176186524,6.9623586828512565,2.6899410992444523,0.6049959615996053,0.0101157631343473,6.7781629926736136,3.649586916387729,3.8936554400770618,1.0888742755285523,1.8707699640403104,3.821362227034709,0.0978901191034249,2.4707406803624483,0.6198163261848983,10.842329721225315,1.0063376708218497,1.919134015328238,-0.0749963395402672,0.2232167179944502,0.559306065659606,-10.178410113893746,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0268,6.707412677761555,7.503198061245018,8.29199622782986,9.067413854254562,9.824612254068777,10.559716100766876,11.269596818473955,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_25,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0740727360547859,0.5980117823621661,1.9082652740687616,3.779957989656417,5.530532336783673,6.675452727366376,7.273170013630117,7.551616546750986,7.65590724929916,3.1229714287858417,0.4214520164799374,0.0024724817380044,9.752705629818765,4.648955891338695,5.62335216804912,1.3221614258786978,3.451477390589644,7.111563262384395,0.3751043121976696,2.385024537022924,0.1841907430461532,14.24747042901534,2.209311481388154,4.378112586559237,0.1266711303573716,-0.924232542962571,0.0799868909220311,0.2509335943731057,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0268,8.39738622732601,9.21045012096659,10.011300076305483,10.79453376983918,11.55464655427804,12.286817774585131,12.987298889190152,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_26,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2195491702541088,0.9085897296277412,2.158052969293758,4.074195028399357,6.04091133642114,7.376035174057885,8.082235924543285,8.412822969837384,8.536870458101824,3.373716798952702,0.7152621963769002,0.0238266864932284,10.98543067187007,5.838166998470386,6.094777519286515,1.6970240455044363,2.73452038504632,6.036772912641875,0.4144249419113545,4.492258255350464,0.1873438103952293,17.677531184745284,-0.5443614424079527,-1.1785770505262785,-0.2413514235794999,-4.292444773528426,-0.0984268109844222,-12.831472671453357,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0268,9.404961366279933,10.202486717952214,10.970583677311147,11.706540015798156,12.408475083956905,13.075198409067909,13.70614403880032,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_27,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2176040107766335,0.9034122387762688,2.1318103928700696,4.001010461786463,5.922648044390333,7.225701595649164,7.913977391652307,8.235914181747644,8.356671729107468,3.3171158016425126,0.7109886686080309,0.023552607304501,10.596895750379844,5.594029472505622,5.90468986954573,1.6538590395056734,2.7514517892800026,6.06218539968188,0.4246735946736316,4.780220494125523,0.2063025560334441,18.48702569537793,-0.734939683821017,-1.6098003292335157,-0.2726046999465723,-4.512500678027719,-0.0871672378699212,-14.229096643020268,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0268,9.38342198994114,10.179818488412836,10.9488456065667,11.686950531950735,12.391679344426974,13.061459110598424,13.69547689143502,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_28,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0768995633921989,0.5995319649996146,1.8713985161220783,3.6685085212353328,5.36781172545087,6.49499417726077,7.0884142020342455,7.365976504329804,7.470114575396991,3.0369789819326414,0.4253253037861043,0.002633715904962,9.446091972990954,4.302287657116996,5.63212991212905,1.2558419977624633,2.9906645638597635,6.085571147337178,0.3144964529750043,1.904202417338132,0.1680746048195089,12.00716433129126,2.095424469798401,4.1155487678702585,0.1354484341627319,-0.4277338370510727,0.1044735294387865,1.0383627224833136,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0268,8.455026685001256,9.249842096708274,10.03441847484587,10.803463897818952,11.55147903023335,12.273550755975874,12.965769550121175,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_29,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1536719608165404,0.775916040954593,1.83473164832636,3.4379812929800284,5.1545454042986325,6.348425173329275,6.986594475325019,7.286664741322757,7.399463360722449,2.843423283568945,0.6007515233495213,0.0089031003103453,7.909826592757655,4.013553901792511,4.456300738135545,1.15905859666087,1.317856801322412,2.644070284945229,0.0218353890404601,1.318950228171408,0.5178305635106621,6.577273435425592,1.2065539521295667,2.399142577548214,-0.0004251807981089,1.0261007909661957,0.5092892577180032,-5.958685415933286,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0268,6.658177733066697,7.443983366840925,8.229788818678973,9.008639748497416,9.774360510443854,10.521520378267653,11.245536837491295,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_30,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1583775538229936,0.7720591959190598,1.7607530903783497,3.22848556989566,4.792703728198729,5.877041754304275,6.455692551383909,6.727576698449813,6.829749178106565,2.6850552085814643,0.6022676781073221,0.0098462142293213,6.9380332958764495,3.623298828526177,4.064245071951662,1.0777376127490976,1.455513495859179,2.9065131240890127,0.0234549113410167,1.2871911774860407,0.547105403445257,6.83451408279422,1.4434403881373064,2.87994562274543,0.0210402897966422,1.2558010974091722,0.5462602859047261,-5.544153249802107,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0268,6.733999452355081,7.533764243396475,8.327425704812724,9.108062134768597,9.870399940353307,10.610249404784128,11.324284392240171,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_31,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0751625894714112,0.5984615535068688,1.865535014700436,3.564401231597994,5.097787856331861,6.093193169110153,6.61268827456801,6.854811262434314,6.945524776623028,2.9790081968136897,0.4229837174975185,0.0025497997955226,8.762243100434027,4.082637299765145,5.279792686973531,1.2930967120228316,3.1621654019549803,6.385909693504483,0.3143075982665471,1.4235247825695092,0.141327914805008,11.19840662346636,2.6772777977381645,5.318889306269962,0.2173300774231839,0.1628170116057886,0.1073857825098309,4.219085971535841,10.0,20.0543,1.0,2.0,0.8900000000000001,29.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0268,8.4862061934029,9.290404210566017,10.082895469875949,10.858119500234205,11.610562542389689,12.335461067733611,13.029137742112727,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_32,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2178716737810337,0.9006934951019715,2.076757210335155,3.753878743347961,5.44575521830324,6.597666348915105,7.209189078854738,7.496031925062575,7.603761436010036,3.148383208950462,0.7100864886384051,0.0236082603474136,9.236323112922197,4.935622686067009,5.379835315723971,1.5762738313697422,1.6930591654975806,3.681309590815872,0.2955907741978952,4.057785359080743,0.1991786270253698,14.377111311445804,-1.262848576481372,-2.823319102611396,-0.2955907741978952,-3.627574770064534,-0.0077349149131566,-14.377111311445804,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0268,9.454165160567168,10.246780095020751,11.01370928054265,11.750718890413468,12.454841807310446,13.124161091062064,13.75765772685024,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_33,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2158014663369032,0.8970946945156196,2.092734456160706,3.83476430461268,5.56761323796604,6.725156438003533,7.332917465252718,7.616509010073552,7.722782413353803,3.2061891170139285,0.706418500638515,0.0232048333900952,9.408561696620218,5.156178254240718,5.319813092834062,1.601161303335491,1.7341792025021934,3.7513743517578666,0.2939117619707233,3.989517776654752,0.215667489468353,14.495822628806971,-1.0983211709681209,-2.48169001008298,-0.2725883127233395,-3.502923889852366,0.0008667901587088,-13.429650166437783,14.0,28.067300000000003,2.0,2.0,0.8900000000000001,100.0,-5.0,-11.00276,-1.0,-13.0,-1.5499999999999998,-45.0,RSM0268,9.44223920656159,10.247517243104369,11.024460530407213,11.769323341438689,12.479540943965532,13.15352312127703,13.790516891257798,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_34,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.073611228283106,0.5916700024292092,1.8593015895128016,3.607806847543429,5.228991152588316,6.295644477847579,6.855413419978015,7.1168939708749015,7.214946961719295,2.99871504860983,0.4177082160434183,0.0024355987500928,8.984640498572052,4.162601800010566,5.375606834613602,1.2646203915921868,3.2608496966859755,6.603540835929443,0.3245386301856569,1.8025636798123856,0.2001480944145421,12.452100100744742,2.5609642666678325,5.063406553132158,0.1845615441820283,-0.0483493009478784,0.147124711212831,2.421042975413953,14.0,28.067300000000003,2.0,2.0,0.8900000000000001,100.0,-5.0,-11.00276,-1.0,-13.0,-1.5499999999999998,-45.0,RSM0268,8.320314358755848,9.14403579644771,9.95757999076218,10.75372577564196,11.525953187393608,12.26894472111044,12.97877232988701,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_35,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.157358767896665,0.7701288102344458,1.7784985010397036,3.3044378925646933,4.930850600193275,6.058232964223728,6.660150766226766,6.943066588791068,7.049402763689214,2.738972218134312,0.6001186858074439,0.0097204257825588,7.107572205423187,3.792551501820416,4.096315731464091,1.1023107606364595,1.6673713564004522,3.39259004508099,0.0859314588132043,1.9801733734648583,0.5212618590278308,9.09518560645387,1.0421162776434991,2.01668373101222,-0.0391195569381862,0.3542785110351552,0.477443811021492,-7.737794890519432,23.0,51.5353,2.0,2.0,0.8900000000000001,56.0,-5.0,-11.00276,-1.0,-13.0,-0.6499999999999999,-45.0,RSM0268,6.616252937410343,7.40837773166268,8.198524594781219,8.979252220745254,9.744545854955192,10.489450932344605,11.209953255616092,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_36,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0139701953176956,0.221409679425205,0.989040064173713,2.4947181153815707,4.129745002952176,5.257329822814918,5.857379543190801,6.13899619213979,6.244778961309541,1.92685960411836,0.1420336413871425,0.0001060043743998,7.288237898203761,1.7076136641247288,4.7833409629055925,0.1494491304409818,8.407316269006236,16.973095647172283,0.9810252012867374,2.237634718109225,0.4277905145773437,34.52198514725731,-8.403830020912253,-16.964653295153305,-0.9807570283564307,-2.237634718109225,0.3279779022604167,-34.51474447813904,13.0,31.481,1.0,0.0,0.8599999999999999,27.0,-15.0,-31.05706,-2.0,-15.0,-0.6800000000000002,-74.0,RSM0268,17.316642413026987,18.04310025756609,18.675635641085485,19.22599103291961,19.70520444046105,20.12321645894835,20.488745453619263,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_37,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0141480393498281,0.2267580016262983,1.037929431936226,2.6115726269663244,4.286632913377844,5.428763204437488,6.03335085087126,6.316439834210599,6.422674379369092,2.0224257563100885,0.1446253591353302,0.0001084849543451,7.532112989765856,1.7502736467239788,4.98246713842024,0.1826530977127415,8.629600874736223,17.437334777771675,0.993122584260996,2.716370186505757,0.3471104626216858,34.165820415892725,-8.629600874736223,-17.437334777771675,-0.993122584260996,-2.716370186505757,0.2262542010505238,-34.165820415892725,0.0,0.0,0.0,0.0,0.8599999999999999,0.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM0268,17.223402705238502,17.95003420337146,18.585056339461648,19.139231034848564,19.622955374692403,20.045759428059867,20.416105034612023,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_38,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0139626541959117,0.2213742499754269,0.988900314037167,2.4941619743245864,4.12890503915464,5.256496861926875,5.856624913941309,6.138296427243587,6.24410279195988,1.9264603953989377,0.1420024458741794,0.0001058805307945,7.284311509032736,1.706840737478032,4.780672428693644,0.1492711256455062,8.388705887735224,16.93552101443472,0.9786022460969592,2.2259517572779863,0.4269352133592471,34.43188598023305,-8.382708115128167,-16.920996716016045,-0.9781408789733396,-2.2259517572779863,0.3275975466636978,-34.419429067895315,13.0,31.481,1.0,0.0,0.8599999999999999,27.0,-15.0,-31.05706,-2.0,-15.0,-0.6800000000000002,-74.0,RSM0268,17.32006328262086,18.046057984353084,18.67817396213256,19.228168745523213,19.70707918528866,20.124838986600885,20.490158386473883,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_39,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0141327647699137,0.2267053497085513,1.0373785643767834,2.607971994632749,4.279320877814687,5.4190907335886855,6.022508905842843,6.305070007037976,6.411109695481501,2.020105471561841,0.144570423060466,0.0001082506173552,7.516663981227581,1.7462257561536658,4.972774021572764,0.1824525150075712,8.622459198630777,17.42381331787974,0.9925984174908564,2.72697735084106,0.3463963715112158,34.15249464929664,-8.622459198630777,-17.42381331787974,-0.9925984174908564,-2.72697735084106,0.2249592570758269,-34.15249464929664,0.0,0.0,0.0,0.0,0.8599999999999999,0.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM0268,17.23013871056917,17.957541691519864,18.593087881146417,19.14756390652891,19.631405911675508,20.054184942099017,20.424399785029955,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_40,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0655294581511649,0.3750654718162937,1.1919080556967754,2.7230667304460656,4.4487251103566585,5.66827943578041,6.324178343072266,6.63335492897522,6.7496920098825335,2.13963079080538,0.2752339759333179,0.0042054699725163,6.600402916498477,1.907701930822702,4.272793493226643,0.3970860534743939,6.262293418728012,13.546750453387986,0.576670975585606,2.5132321907780075,0.8572422016554115,24.37292999509564,3.834158663637851,8.592811314114002,0.4686326534937505,-2.5132321907780075,-0.8572422016554115,20.591588721880704,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0268,14.73167692100266,15.477933871766169,16.15850851955832,16.778755567474008,17.344003736696475,17.859295985369453,18.32929088091428,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_41,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0709642551619915,0.3507471043943896,1.1402694623320275,2.732776597228444,4.489534259848944,5.706892126281616,6.355829607171235,6.660600367431816,6.775111823862336,2.1273204018657967,0.2632669190280668,0.0051937542624296,6.751856212506226,1.9775655314194776,4.19908149277281,0.31360959433517,5.101853161853227,10.46151074446122,0.6619500787322683,5.654813189738961,0.9937637007443486,32.250713858246534,1.1378998980762376,2.134279269220814,0.2529130338667807,-5.654813189738961,-0.9937637007443486,17.93441728795447,21.0,47.5466,2.0,0.0,0.0,110.0,-7.0,-14.99146,-1.0,-15.0,-2.44,-35.0,RSM0268,15.594614411639306,16.269091912880643,16.87142572451378,17.41336352199825,17.90391941972004,18.350092789619488,18.7574098438465,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_42,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0609600537436133,0.3658442888524248,1.2934673928288196,3.076940055116245,4.980014384540674,6.2740027641275695,6.957218054473007,7.276677881836626,7.396487114797509,2.407824144911128,0.2639725629170798,0.003718490859171,8.17489407909924,2.6474567327831875,4.817494177030056,0.376152217351433,7.011234664577395,15.020818358552807,0.7815992983992175,5.115668007822571,1.076309555620497,35.85675096867927,4.111967331248175,9.002266021090774,0.5523109973770158,-5.115668007822571,-1.076309555620497,27.831660432902208,21.0,47.5466,2.0,0.0,0.0,110.0,-7.0,-14.99146,-1.0,-15.0,-2.44,-35.0,RSM0268,14.566116317663106,15.391259471403336,16.13025323662214,16.794287482854564,17.392548116764843,17.932710788193756,18.42130138399554,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_43,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0639240696922429,0.3549421076275995,1.2258275351883183,2.914486796706382,4.725386292599476,5.964971007436275,6.622406374142811,6.930512099935887,7.046177516310195,2.280349949427553,0.259836468672822,0.004168865607738,7.323220857145471,2.370107824600632,4.336022363915089,0.3440303437631205,6.684268094206057,14.232512459836764,0.7954889544998386,6.430641371807284,1.0721923819195704,35.26152298217336,2.2815144624294703,4.953270521649709,0.311875572812544,-6.430641371807284,-1.0721923819195704,18.335054623118044,21.0,47.5466,2.0,0.0,0.0,110.0,-7.0,-14.99146,-1.0,-15.0,-2.44,-35.0,RSM0268,15.474606487450233,16.204498803709054,16.855117330906705,17.438825952357245,17.965069961681085,18.44126700346533,18.87340416908237,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_44,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0625543429260498,0.3818673564841622,1.3319874523712576,3.143930998698264,5.057287539652249,6.347853128561392,7.026447196603647,7.34315103385811,7.461834068486485,2.46618953496489,0.2757450680219216,0.0037725896935124,8.112544170862245,2.8134684398019307,4.94784522002143,0.5880676026700931,6.594242318281381,14.358365487600512,0.6706638722259017,4.862829356426848,0.9248387200636182,27.12875491758921,2.4441795263329342,5.660495808528665,0.2621402401084055,-4.862829356426848,-0.9248387200636182,12.830427793476844,21.0,47.5466,2.0,0.0,0.0,110.0,-7.0,-14.99146,-1.0,-15.0,-2.44,-35.0,RSM0268,14.514377625488873,15.30348634762704,16.019112920180486,16.66849542973846,17.25816455582824,17.793986021337805,18.28122864883887,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_45,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0715983920250143,0.3431560871660705,1.0635168517921794,2.566303100798747,4.27447313315156,5.467456714743681,6.104175648250872,6.403219872181748,6.515571719717787,1.9867445099549383,0.2604020771458164,0.0052970625343612,6.439027507099456,1.647399125592126,4.142261723197644,0.2097166749393754,4.393341370155033,8.893435708983326,0.5232484585334314,3.845565412363506,0.9218739893890484,27.8854898798352,1.5619737557936175,3.0611907830071927,0.3433210821991174,-3.845565412363506,-0.9218739893890484,21.58803170813421,12.0,24.0786,2.0,0.0,0.0,110.0,-7.0,-14.99146,-1.0,-15.0,-2.44,-35.0,RSM0268,15.77039419302006,16.424684897631895,17.01119304186139,17.54003559782882,18.019323799919345,18.45555556458068,18.85397252766621,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_46,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0691488790020077,0.3486128828374978,1.1360385094000576,2.69319447234663,4.382032786602397,5.540731609031259,6.155515795441279,6.4436578485144205,6.551831227925597,2.10488031371016,0.2607389507495181,0.0049284443858514,6.372960889313689,1.9156617980410675,3.956514567866745,0.3276930241737701,5.436333317902352,11.286391218291252,0.7033037589279785,6.200204982130695,1.0044352378373818,33.065080827793274,1.141792248530033,2.22891888267828,0.2254671192151835,-6.200204982130695,-1.0044352378373818,16.34079843784545,21.0,47.5466,2.0,0.0,0.0,110.0,-7.0,-14.99146,-1.0,-15.0,-2.44,-35.0,RSM0268,15.68141159942979,16.349854969457443,16.94750467975956,17.485923121263404,17.97384363594291,18.417995662010227,18.823683649437776,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_47,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0629143014426451,0.3477260853579654,1.2061721323431849,2.89107593489988,4.689181230759898,5.908850627238861,6.552076797155785,6.852698403196347,6.965422454406291,2.257905568407917,0.2547537838739093,0.0040649682649178,7.532021478373718,2.351989823659244,4.580131882351981,0.3623173653508761,5.981787802644639,12.808742020673693,0.6434891148409662,4.688800882706008,1.0076490712310429,31.264945770999827,3.130899698439316,6.933654310480955,0.4597673084852036,-4.688800882706008,-1.0076490712310429,24.83468254854814,21.0,47.5466,2.0,0.0,0.0,110.0,-7.0,-14.99146,-1.0,-15.0,-2.44,-35.0,RSM0268,15.209127436310052,15.967834551078704,16.644288462809254,17.251137481589485,17.79804081305228,18.292605427424064,18.741005856713347,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_48,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.065629507577771,0.3750916854681492,1.193294645061203,2.72634157149026,4.451579531589132,5.669905233612119,6.324934333813533,6.633660228836474,6.749821614705269,2.1425022468949213,0.2752595922045586,0.0042227629840063,6.602030551777851,1.910842255917182,4.277295193410306,0.4012519948600193,6.266421777301338,13.559102122252195,0.5773695208775542,2.5144541799065534,0.855614430056162,24.36662380361751,3.8456647837661055,8.619531176548985,0.4689959496743481,-2.5144541799065534,-0.855614430056162,20.573548811505297,21.0,47.5466,2.0,0.0,0.0,66.0,-7.0,-14.99146,-1.0,-15.0,-1.54,-35.0,RSM0268,14.70599305913566,15.456088335031952,16.139627433327572,16.762190380176484,17.329272698944518,17.846040328121447,18.317242070098263,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_49,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0708548587760958,0.3503128485316917,1.1380359934878232,2.7281799015630948,4.483001720766305,5.6989980828126585,6.347176677463922,6.651582150193277,6.765954872352363,2.123476183751713,0.2629719821172317,0.0051779405605912,6.729258577095762,1.966585314773396,4.189534878779864,0.3115866631689228,5.096788978975743,10.446724216724183,0.6610579405635563,5.625922201181366,0.9939091462301652,32.25731932903248,1.1583568852563622,2.175125072623192,0.25661268979805,-5.625922201181366,-0.9939091462301652,18.101735552239763,21.0,47.5466,2.0,0.0,0.0,110.0,-7.0,-14.99146,-1.0,-15.0,-2.44,-35.0,RSM0268,15.531377212971083,16.21266526970341,16.820704312285766,17.367500500893314,17.86224718671235,18.31207210436416,18.722596346380254,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_50,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0607198323925429,0.3661264761097505,1.296181533014768,3.081568675668727,4.984879801188837,6.278749868596367,6.961889554739739,7.28131655281847,7.401114204721991,2.412051999009217,0.2639804405275339,0.0036834200032698,8.187687710964141,2.657955299584845,4.824463716368187,0.379410241193357,7.016247611856897,15.032050462473668,0.7818065831620435,5.132594705138019,1.078888480889245,35.895492794938754,4.101927176554528,8.982582662540043,0.5516508719775279,-5.132594705138019,-1.078888480889245,27.840042903480708,21.0,47.5466,2.0,0.0,0.0,110.0,-7.0,-14.99146,-1.0,-15.0,-2.44,-35.0,RSM0268,14.593139745898313,15.41692673535424,16.15499916094985,16.818324532579243,17.415960038498486,17.955512108575398,18.44347386858764,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_51,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0642719288705285,0.3541340787400431,1.2227382607122328,2.9115906103108724,4.723484386040432,5.963797273012116,6.621620385946361,6.92990772111524,7.045641280912119,2.2771941054590807,0.2595644164712509,0.0042218413564639,7.32264400008836,2.363515413999183,4.339872889586596,0.343082551390014,6.674075266956422,14.205539580133678,0.7960841370848074,6.457927457626524,1.0726139591193045,35.28868304201691,2.246077116062577,4.871254593584201,0.3079153760501556,-6.457927457626524,-1.0726139591193045,18.20277640580409,21.0,47.5466,2.0,0.0,0.0,110.0,-7.0,-14.99146,-1.0,-15.0,-2.44,-35.0,RSM0268,15.29598917617672,16.047439876224384,16.715172331036133,17.31268004870739,17.850242582417355,18.33588942039661,18.776054394406533,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_52,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0625976068258393,0.3823794906719192,1.3294300325730108,3.12984202618594,5.03236391110908,6.316948421801255,6.992789716851316,7.3082942306299215,7.426541268603604,2.4564490486859305,0.2761480583725169,0.0037727563764548,8.034457549625353,2.78272056074434,4.905627177847743,0.5868354798872716,6.572640701329973,14.311152496461316,0.667573794280814,4.809770860010878,0.9204966986726671,27.007188176786403,2.46678594465224,5.707782426110027,0.2651929867512523,-4.809770860010878,-0.9204966986726671,12.92385991325175,21.0,47.5466,2.0,0.0,0.0,110.0,-7.0,-14.99146,-1.0,-15.0,-2.44,-35.0,RSM0268,14.797227592224226,15.556862636805796,16.247314758264228,16.875000915096106,17.445824047373236,17.965163726081357,18.43790680187385,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_53,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0716409946381358,0.3429924912190696,1.0615630328112848,2.560160172559771,4.26413051962266,5.454500546230806,6.089910227695295,6.388357534365913,6.500487908101724,1.982172245335468,0.2603569895648521,0.0053037529979301,6.406318075526331,1.6375621365630002,4.124148494245084,0.208484886866078,4.40827261729862,8.923072037630144,0.5254820726523266,3.843402808583247,0.9231417564833726,27.97783859950832,1.5859124286326307,3.109597555331248,0.3463369236888063,-3.843402808583247,-0.9231417564833726,21.70775838578511,12.0,24.0786,2.0,0.0,0.0,110.0,-7.0,-14.99146,-1.0,-15.0,-2.44,-35.0,RSM0268,15.680764163609746,16.342426833275503,16.935601996113213,17.470447722811986,17.955124587342645,18.39618760050657,18.798938224004747,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_54,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0692622072368899,0.3487758679252556,1.1361793127530873,2.6924828768669444,4.38005635682989,5.538045932826332,6.152541138025878,6.440570812591257,6.548705912371339,2.1045821058308807,0.2609067375038444,0.0049448566491478,6.370214974631359,1.9133054890012304,3.954689475771782,0.3258014070059207,5.449888130259595,11.317317516315445,0.7047150713632911,6.20676506196669,1.0053887587091477,33.110094658259264,1.1535177522802298,2.2557558508990336,0.2264506490072897,-6.20676506196669,-1.0053887587091477,16.37083987579922,21.0,47.5466,2.0,0.0,0.0,110.0,-7.0,-14.99146,-1.0,-15.0,-2.44,-35.0,RSM0268,15.73628474056711,16.40286217345075,16.998547442156998,17.534881597411633,18.02062611079807,18.462554451493386,18.866014778550674,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0268_55,RSM0268.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0627392021288637,0.3484838703115509,1.2111479428150016,2.8989910584724736,4.695342030468034,5.912225075162712,6.553634071644728,6.853339889041035,6.965710651253872,2.2654140969899936,0.2550419597292436,0.0040389700745416,7.548165965064105,2.3669876407459856,4.586154147517789,0.3683336604149331,6.011188905240209,12.878668663332393,0.6458050986949376,4.698435442504526,1.0090924667789534,31.317375263315338,3.1555521794720285,6.993375958834357,0.4613708056596918,-4.698435442504526,-1.0090924667789534,24.862175007081746,21.0,47.5466,2.0,0.0,0.0,110.0,-7.0,-14.99146,-1.0,-15.0,-2.44,-35.0,RSM0268,15.460634313791832,16.190797756163008,16.843505416826904,17.430341760983502,17.96018121266912,18.440046471253403,18.87567124837588,[Ca].[Cu].[O-]C(=O)c1ccc(s1)C(=O)[O-].cat0,"linker [O-]C(=O)c1ccc(s1)C(=O)[O-], nodes [Ca], [Cu], topology "
RSM0161_0,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,92.0,238.02891,7.0,3.0,1.38,196.0,0.0010889309619314,0.1118222014996799,0.8663451088100732,2.3906747492824545,4.011639654454522,5.124893422443864,5.717249819300718,5.995330729977159,6.099802361555131,1.821730117000141,0.0551962050921754,2.537020029214496e-07,4.496504321264856,1.7433508855788116,2.433339466475338,0.2001257208532567,84.0,222.02951,5.0,13.0,2.06,130.0,-84.0,-222.02951,-5.0,13.0,2.06,-130.0,-84.0,-222.02951,-5.0,13.0,2.06,-130.0,-84.0,-222.02951,-5.0,13.0,2.06,-130.0,RSM0161,18.54517596258131,18.72660289206414,18.8698089724312,18.98470958416956,19.078227862053883,19.15530845096287,19.219554902400347,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_1,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,92.0,238.02891,7.0,3.0,1.38,196.0,0.0011246964865501,0.1127884510454352,0.8500442679780389,2.2969347856018607,3.819567538786661,4.863306581787135,5.418581867762276,5.679268698121904,5.777209728101698,1.7600169354738604,0.0559629269138553,2.696055912317435e-07,4.051157848407874,1.6196279563610658,2.2172490984475064,0.2002636994165208,83.99999999999999,222.02951,4.999999999999999,13.0,2.06,129.99999999999997,-83.99999999999999,-222.02951,-4.999999999999999,13.0,2.06,-129.99999999999997,-84.0,-222.02951,-5.0,13.0,2.06,-130.0,-84.0,-222.02951,-5.0,13.0,2.06,-130.0,RSM0161,18.39490878251287,18.580684364872525,18.72731363178056,18.84494985766344,18.94068382269162,19.01958074196208,19.085332439662885,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_2,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,92.0,238.02891,7.0,3.0,1.38,196.0,0.0010225154470771,0.1075888384237828,0.8482711620660783,2.216685924374211,3.5137450039849503,4.352099536741119,4.787209400545954,4.989434282684731,5.065109316542275,1.727608987227136,0.0526049101877729,2.592114603237572e-07,3.7681742253732073,1.4121607135473224,2.1470026509703897,0.1838240208028717,84.05326783943956,222.143599548518,5.007609691348508,12.909861025653749,2.049229266053972,130.26312301244144,-84.05326783943956,-222.143599548518,-5.007609691348508,12.877278137088828,2.049229266053972,-130.26312301244144,-77.0,-207.055148,-4.0,13.0,2.06,-89.0,-91.0,-237.02097,-6.0,-2.0,0.81,-165.0,RSM0161,12.594750438037464,12.780798224654747,12.928017527205965,13.046348276635422,13.142787954035308,13.222361458662748,13.288744409680715,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_3,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.006147073979285,0.198591442022143,1.0334695510111067,2.5347072940612367,4.08829587403075,5.141097204664537,5.697451589773737,5.957798768424965,6.055476609324356,1.9815239991054825,0.1154425377970878,1.4580968556156513e-05,5.180610696531359,1.89220509087176,3.1605225054370685,0.3707610300394693,22.33857166943014,50.10590534834223,2.048367381347162,4.411452323832954,1.6997789755523491,57.61997769274786,-22.33857166943014,-50.10590534834223,-2.048367381347162,3.0801408680517173,1.6997789755523491,-57.61997769274786,-15.0,-34.406237999999995,-1.0,4.0,1.79,-15.0,-29.0,-64.37205999999999,-3.0,-11.0,0.54,-91.0,RSM0161,20.890932205721548,21.226876947030807,21.49748587065768,21.71810625092992,21.899981392876445,22.0514516130442,22.17878234137729,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_4,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0063571764743302,0.2038360808918657,1.050320855108413,2.559068400518079,4.113872837345762,5.165992517910697,5.721733543195647,5.9817526376988654,6.079301782898577,2.00422799267509,0.1187788742456036,1.4579596214832708e-05,5.332192486406921,1.924297097925224,3.2657356645868365,0.3789573178274502,22.385017425469734,50.20537613430953,2.054992678479533,4.461601462217506,1.6899391413909732,57.84767897724484,-22.385017425469734,-50.20537613430953,-2.054992678479533,2.970450776097256,1.6899391413909732,-57.84767897724484,-15.0,-34.406237999999995,-1.0,4.0,1.79,-15.0,-29.0,-64.37205999999999,-3.0,-11.0,0.54,-91.0,RSM0161,20.885476539736388,21.26372390046855,21.56919382337944,21.818716377864888,22.024717283739648,22.19646956824909,22.340972004880093,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_5,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0585546054328382,0.5791594299861845,1.7568693409166125,3.329107763275581,4.837178277962484,5.847355385314264,6.380594788274275,6.630163566224472,6.723812598588429,2.775496252274664,0.4039115504069072,0.0010615312322165,6.90033808375406,4.065606514604666,3.588420047786851,0.946512788013576,7.763320376248181,16.56036498117765,1.0615923144711492,1.9219049056649569,1.0006580225634112,41.43425772296954,-7.763320376248181,-16.56036498117765,-1.0615923144711492,-0.4176653154040629,1.0006580225634112,-41.43425772296954,0.0,0.0,0.0,1.0,1.25,0.0,-14.0,-29.965822,-2.0,-14.0,0.0,-76.0,RSM0161,11.589075627026084,12.570067095060104,13.487333840382734,14.337583798529993,15.120174176234512,15.836628478816774,16.490007048985046,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_6,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0580331366464308,0.5837718743992883,1.7960558137950553,3.346510526640621,4.711786198896522,5.578735868789457,6.025199013945939,6.231929686347483,6.309166361307888,2.816568015773752,0.4056862346493816,0.001026858704173,6.7411762050055,4.171377030088691,3.364301314200753,0.9915815370752876,7.906979214107818,16.90092309003958,1.0759067897577408,2.049910094885676,0.99097851190609,41.88564787372624,-7.784284072802554,-16.57099243235331,-1.069533016183441,-0.5636057887900895,0.9896878227572944,-41.74383141169808,77.0,207.055148,4.0,1.0,1.25,89.0,-14.0,-29.965822,-2.0,-14.0,-0.81,-76.0,RSM0161,11.457211515908988,12.410762948046733,13.308252777001211,14.144184128853096,14.916299111036569,15.624969473030442,16.272448740587883,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_7,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0621423851757429,0.5921205683564724,1.7844083394411503,3.367467454593168,4.850058876581733,5.829247446032588,6.343250985117766,6.583300835842825,6.673304065464293,2.814374150142761,0.4150434881640107,0.0012134966507691,7.05228013834574,4.216814812727887,3.628938511954097,0.9829435801425732,7.795813918715827,16.629822163416076,1.0661561994303006,1.9449327686631224,1.002288478568909,41.6094132785073,-7.795813918715827,-16.629822163416076,-1.0661561994303006,-0.4382664155838503,1.002288478568909,-41.6094132785073,0.0,0.0,0.0,1.0,1.25,0.0,-14.0,-29.965822,-2.0,-14.0,0.0,-76.0,RSM0161,11.256408968698889,12.204643805184716,13.091990584708684,13.916592094500588,14.678303779468322,15.378543632403272,16.01993462256961,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_8,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0612378418814692,0.5956773866026321,1.8438145286397245,3.467844719899416,4.908302732248745,5.827238170128854,6.301902973651565,6.522041151912727,6.604345046960822,2.9109190584025466,0.4148975187382084,0.0011984039848994,7.33113687231704,4.43021242232963,3.7256768162859735,1.0631814369155277,7.982040368405864,17.068542905943957,1.0708947621268212,2.080177294785135,0.9715974960792328,41.24226730729005,-7.443823380385636,-15.834008120246148,-1.0350136295921393,-0.6409885398201068,0.9522216845105046,-40.70405031926982,15.0,34.406237999999995,1.0,1.0,1.25,15.0,-14.0,-29.965822,-2.0,-14.0,-0.54,-76.0,RSM0161,11.782538545280184,12.694043878662244,13.549998922362388,14.347879545938136,15.087023277348075,15.76836716269951,16.394066111746245,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_9,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0590082486626803,0.5792289708072828,1.7536380206623157,3.318340577658053,4.810955285849371,5.8065566702515135,6.330965183773048,6.57616011084432,6.668130371124837,2.7682691935474697,0.4043645152680556,0.0010863270762514,6.828200912272373,4.049415960524016,3.535443260541156,0.945078396046097,7.754599428197763,16.541419110483872,1.0600843506563369,1.9033385663496407,1.0014961953105446,41.37178640104613,-7.754599428197763,-16.541419110483872,-1.0600843506563369,-0.3982635772048088,1.0014961953105446,-41.37178640104613,0.0,0.0,0.0,1.0,1.25,0.0,-14.0,-29.965822,-2.0,-14.0,0.0,-76.0,RSM0161,11.650190881569824,12.626464472072968,13.53937666872162,14.38576789781689,15.165048900296568,15.878735732517685,16.529844876981794,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_10,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0584939476573238,0.5838057260153973,1.7883394418157614,3.2955328163538846,4.584993044004937,5.389874105243725,5.801180433436044,5.991007843494331,6.061835511860352,2.785846205848789,0.4061135597604194,0.0010543455042108,6.367172312027046,4.076159115461579,3.1460865436094534,0.985401495425586,7.878946618517,16.806749286709803,1.077049644118444,2.016485346305892,1.000257543133047,41.99132200932301,-7.878946618517,-16.806749286709803,-1.077049644118444,-0.5151304018193802,1.000257543133047,-41.99132200932301,0.0,0.0,0.0,1.0,1.25,0.0,-14.0,-29.965822,-2.0,-14.0,0.0,-76.0,RSM0161,11.29265312621752,12.237831653608342,13.12877183052714,13.959679850614751,14.728016048260104,15.433902322649953,16.07938030782414,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_11,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.0586465728811858,0.5772532694429587,1.752255404208876,3.2748632745278186,4.668432062626465,5.578690967972896,6.054297301235419,6.275986081331732,6.359040756561665,2.747978482465552,0.402653790488031,0.0010823086158351,6.509246989073845,3.999063567672605,3.3556783479735453,0.9530959227237732,7.840226355013051,16.724394778349208,1.0720718129613305,1.9513825199552448,1.0082357638941617,41.83667065649889,-7.840226355013051,-16.724394778349208,-1.0720718129613305,-0.4360661273142943,1.0082357638941617,-41.83667065649889,0.0,0.0,0.0,1.0,1.25,0.0,-14.0,-29.965822,-2.0,-14.0,0.0,-76.0,RSM0161,11.504658700396874,12.48045016979109,13.39089242591493,14.23355099856451,15.008446281302811,15.717541285205028,16.364148503522557,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_12,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,15.0,30.973762,3.0,15.0,2.19,107.0,0.059078435734602,0.5867500458732435,1.8270059199098008,3.449027729106756,4.902820010591667,5.83758295817579,6.322311719502707,6.547505226413504,6.631758646255308,2.8910050758853707,0.4075776957380839,0.0011029356584702,7.287326381364759,4.362749994828996,3.727032627148155,1.0430194768675036,7.980018070378445,17.061606349434005,1.0714719714193972,2.086140856457208,0.9706135243176236,41.27845822198851,-7.471991693327527,-15.896321253494564,-1.0376035462826694,-0.648239395284588,0.9523245747437904,-40.77043184493759,15.0,34.406237999999995,1.0,1.0,1.25,15.0,-14.0,-29.965822,-2.0,-14.0,-0.54,-76.0,RSM0161,11.785592270429694,12.718333018968162,13.592051507099717,14.40406872103326,15.153915182327088,15.842907693847032,16.473655306257243,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_13,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1372257561735857,0.5171135818619051,1.3668009158415777,2.7723069116849053,4.15840238172025,5.068096361824227,5.541255376697776,5.761100004489618,5.843339216818685,2.262884814778605,0.4058420529104479,0.0180475011279698,7.500776773947657,2.181014630846759,4.274172026483347,0.179176727376192,5.8772846750330086,12.655503009742088,0.864735555373577,12.025371333794794,0.8687936085046879,31.5640970628136,5.8772846750330086,12.655503009742088,0.864735555373577,12.025371333794794,0.8665431364091963,31.5640970628136,91.0,237.02097,6.0,15.0,1.2399999999999998,165.0,0.0,0.0,0.0,0.0,-0.8200000000000003,0.0,RSM0161,3.645285149900309,4.2145133456542325,4.809237985507039,5.417342992125639,6.027908205664322,6.632048091322826,7.223139715365653,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_14,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1393854267823473,0.5109344250069207,1.2623256209308755,2.436737555874076,3.583889974887997,4.3384880372803725,4.732104235352455,4.915293764145144,4.983872731578408,2.014064545979371,0.4048597227171422,0.0186506061162329,6.615273818457427,1.607422142317558,3.91975242758224,0.0632174558167885,5.651754217625383,12.332110863151344,0.7978107328567302,10.702563130851312,0.7789337169889357,28.80577547384003,5.651754217625383,12.332110863151344,0.7978107328567302,10.702563130851312,0.7681535369945048,28.80577547384003,91.0,237.02097,6.0,15.0,1.2399999999999998,165.0,0.0,0.0,0.0,0.0,-0.8200000000000003,0.0,RSM0161,4.103729229346688,4.729574202450121,5.370222314370436,6.012656485293475,6.6463121092115065,7.263393792105955,7.858706080832946,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_15,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1395610034833339,0.5159531275980087,1.35994559987197,2.870919563369226,4.437019956925737,5.483640854891216,6.031490870285843,6.286651263527728,6.382189165360209,2.3104108763282563,0.4070550008633223,0.0186661910437187,7.946123411133191,2.2276577787284766,4.612792279805972,0.1755902822977051,5.742630863751875,12.34539448223333,0.847663859287965,11.596519557713846,0.8215449646763464,31.02875865355414,5.742630863751875,12.34539448223333,0.847663859287965,11.596519557713846,0.8144931668540525,31.02875865355414,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0161,3.745775744966058,4.336937231742326,4.949974267292926,5.572148844403245,6.192474192115162,6.802338285298823,7.395567156115924,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_16,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412511422302869,0.5194436882585926,1.3296463673803245,2.652053482235928,3.9248790557678817,4.740982741883206,5.159919826498586,5.35336993851296,5.42554679630338,2.17553607767972,0.4103341848462278,0.0191225094448286,7.379655656814695,2.020225001510376,4.2046301016902765,0.1063460956670129,6.871529865854905,14.780569155866289,0.9715384183800284,13.384145167703922,1.0363644115284554,34.3458176502734,6.871529865854905,14.780569155866289,0.9715384183800284,13.384145167703922,1.0119601036076562,34.3458176502734,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0161,4.071027391228961,4.685563867413001,5.316398889837779,5.9506600842236335,6.577722349955049,7.1896106191350535,7.780897677399265,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_17,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1386696312559696,0.5178160160238485,1.346764270656433,2.6925555871308284,4.00245168431906,4.856275577130827,5.29901413621695,5.504452163939136,5.58126068295434,2.2073628191723325,0.4075004991569375,0.0184038629396108,7.270653213707223,2.0607090927187257,4.168201695440818,0.1526338261906701,5.55211009445134,11.919541667329218,0.8218152480156127,11.556892088972653,0.8418317911065182,29.98016938493754,5.55211009445134,11.919541667329218,0.8218152480156127,11.556892088972653,0.8411196161195137,29.98016938493754,14.0,29.965822,2.0,15.0,1.2399999999999998,76.0,0.0,0.0,0.0,0.0,-0.0100000000000002,0.0,RSM0161,3.8170486281845935,4.387716771707683,4.982167055682261,5.588433394680661,6.1958100258851765,6.795643010144658,7.381531550894273,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_18,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1401324774219867,0.5135917403823254,1.2684758483643224,2.43422399956737,3.550016897651562,4.272523761295523,4.646201165594123,4.819418079964554,4.884154564767257,2.017331905321136,0.4069099376847482,0.0188139164745044,6.558107067194802,1.615277247395063,3.872994936922656,0.0673803534609703,5.877676413812692,12.609282328004351,0.8548480061577357,12.225767241482655,0.936530004951344,30.653520385271108,5.877676413812692,12.609282328004351,0.8548480061577357,12.225767241482655,0.93402275176163,30.653520385271108,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0161,4.179113241627099,4.79547273943712,5.426863746446244,6.060653901108108,6.6864845807648585,7.29662875608207,7.885869049692702,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_19,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407463853671037,0.5144644567226697,1.3230624254827048,2.7458702838217626,4.231414681787308,5.231503163380002,5.756952436245112,6.002086229577421,6.093932555248508,2.217549000170977,0.407099446958963,0.0190523309237789,7.482711749450912,2.0066114683878107,4.363865184138989,0.1281879742202919,5.533595185646776,11.89377543055307,0.817456454823291,11.232924271706128,0.7988686358411242,29.9159482089275,5.533595185646776,11.89377543055307,0.817456454823291,11.232924271706128,0.7930302540071252,29.9159482089275,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0161,3.922985496478,4.517144958570128,5.131782060797105,5.75419194548338,6.3734893440995695,6.981198593979932,7.571294205005178,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_20,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1374956335134367,0.5132445475054331,1.3337625114694234,2.6795327596103737,3.965723355451418,4.7848975821056845,5.20382023330388,5.396914117514792,5.468902674266901,2.195391869614085,0.4042285938988525,0.0181516112684336,7.242376323913743,2.0431853131661204,4.121132594052363,0.135765533447951,5.489303501662237,11.852793840145182,0.7725984822297896,9.774550605774298,0.6936800358940781,27.67144701178092,5.489303501662237,11.852793840145182,0.7725984822297896,9.774550605774298,0.6580723638081107,27.67144701178092,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0161,3.854202257710044,4.433525632676775,5.035939574345847,5.649048677410168,6.2619828416459695,6.866109405189247,7.455159087493805,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_21,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2754068807703627,0.9748923618736768,2.154909401353073,3.671981556614434,4.971582181231309,5.772589790652804,6.178813729036179,6.365642806164953,6.435251391317573,3.15539717056856,0.7838522690532262,0.0366889138002418,7.414185525266407,5.430634048853681,3.30680166927435,1.3616827360728752,6.328144208758111,13.531024920760258,0.8899802223667442,6.815171821060556,0.4135561887761026,35.345595387033484,1.5738508392353616,3.0689551378702338,-0.0608784515378054,-5.545990939698592,-0.2177209845889074,-9.643440491336378,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0161,9.95877375664774,10.968696347659952,11.92131319469082,12.8086858873254,13.62805493145603,14.380136600658847,15.067813523409102,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_22,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.279857692240487,0.9852186411029572,2.181012546642575,3.742174667756038,5.086962168988242,5.913645844882231,6.331636715336318,6.523549478297149,6.594996878391953,3.2084212012900144,0.7926757590613095,0.037781961872357,7.647189988190689,5.639156600749798,3.343449084568136,1.404545358534101,6.335567415816673,13.552502830789992,0.8962027082558748,6.918906378835538,0.4102307120858525,35.60405258358,1.4897428215204993,2.8890138281623594,-0.0729622106033598,-5.680476714206521,-0.2253651119782652,-10.085510339328112,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0161,9.722932426234776,10.724562052600712,11.672597291808556,12.558129449321342,13.377580994968952,14.131029220269296,14.8208806753424,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_23,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2770021459404053,0.9743713860314736,2.146240461843553,3.649405789615608,4.931996423178518,5.719306480689625,6.11757156739647,6.300508922684614,6.36863028060148,3.138096784582608,0.7842766809813527,0.0372024559098522,7.298013369893229,5.370242931023945,3.2502823969659227,1.3494495891210572,6.339824609282285,13.555745026263557,0.89139350004939,6.808396173140944,0.4128116202461645,35.369018119759254,1.5899998816236744,3.103508722164942,-0.0585714454823323,-5.541148118771446,-0.2194920503340786,-9.551534428180457,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0161,10.16070617565178,11.179697395182748,12.136936156237924,13.025232365730751,13.842662257742408,14.59070694682718,15.272886569511858,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_24,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2772040795906283,0.97640271435539,2.153576728593848,3.6744536633640617,4.9776088939864165,5.777171260365945,6.181103434923277,6.36648609821473,6.4354902544713,3.155866276764577,0.7857690155100537,0.0371967441535088,7.287750225062613,5.416856785611096,3.1975474479019383,1.3549074115580335,6.312096681606791,13.49962437206554,0.8904929879799426,6.873569714778479,0.4132353307849983,35.42509256746363,1.5087110959747738,2.9295246148318297,-0.0701841291464609,-5.615232807864768,-0.2183128493892959,-9.995517943625693,9.0,18.963062,1.0,2.0,0.8900000000000001,31.0,-5.0,-11.00276,-1.0,-13.0,-0.3599999999999999,-45.0,RSM0161,10.073349576687168,11.077208732869458,12.023953990957422,12.905651437196006,13.719543384203575,14.466353138707609,15.14897317338616,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_25,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0183505681077697,0.1951273890413641,0.8434201210905231,2.0468369010109395,3.2449419455021324,4.032341592011494,4.442654209407595,4.633535266361223,4.704982551676007,1.6072266851301804,0.1299280710327817,0.0003528654955081,4.894168092538713,1.237605941775625,2.9541936080363387,0.0792325073577956,12.716541172139245,31.484349095441107,1.1094428688404223,8.969911614554446,0.960934507714077,34.919754101823415,5.658872661057187,16.370760389544206,0.1025394335484188,-8.969911614554446,-0.960934507714077,-0.3218661333967106,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,14.332172489768915,15.261828660212176,16.08900931318156,16.825829601523676,17.482683397778832,18.068705119168435,18.59201915420542,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_26,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0186310858917805,0.2036302859410557,0.9411361330392852,2.466272867674063,4.043650378427929,5.07840684029987,5.613846227463231,5.8618445890648525,5.954481509032519,1.8959900626692727,0.1346114202057776,0.0003571880985448,6.193544955630628,1.546134842394104,3.895905958491905,0.2422399119691685,13.360874392142309,34.47191303648579,0.93196081096597,3.40396834391207,0.5891773378920455,27.2919865209728,11.983582347837938,31.52771128994754,0.7404986932563199,-3.40396834391207,-0.5891773378920455,20.59081240113505,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,15.315354054847642,16.1384982105587,16.87445852765439,17.533354862654743,18.123484515009466,18.65210309013917,19.125754873461908,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_27,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0192230231851956,0.1994000436671057,0.9026854535620324,2.323202192634752,3.7864489253593634,4.755363533005589,5.260788102216352,5.495913520502476,5.583914172713892,1.7948297768946573,0.1329204729118879,0.0003872143655133,5.2943094859291095,1.401824521306801,3.2625046792443566,0.1871255549311991,13.854206739571522,35.374348264391834,1.0296508359277727,5.007889796003368,0.7213176787906124,30.86301963721405,10.950891225357084,29.15909402689467,0.6174075582451097,-5.007889796003368,-0.7213176787906124,16.43450491832084,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,14.62673491962841,15.556385735342207,16.379604708986086,17.111205470859037,17.762984289187038,18.344721418326632,18.864766343275377,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_28,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0171952275438379,0.1983476241032961,0.9574986097963092,2.625303219850746,4.452864821536711,5.695297189925523,6.349624330689216,6.655104438837893,6.769589994797423,1.9884653959757,0.1297530296726683,0.0003047305428936,6.7751273903356335,1.7930114898881424,4.132710830558832,0.2477660385510217,15.210644427893351,38.734374384572014,1.0900859352183276,3.513935665120773,0.7281083814636623,31.845832575225657,14.037543790332789,36.231065576322656,0.9312751072627794,-3.513935665120773,-0.7281083814636623,26.28745359678147,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,12.843599708820266,13.656236780224916,14.385688918414264,15.039633206615171,15.62521376059336,16.149210775437243,16.618029773508844,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_29,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0178906379618007,0.1986627172188809,0.9782495661259778,2.7061169096421644,4.577837124588822,5.837521577528463,6.497311654033641,6.804555333143804,6.919577872085108,2.0481491444084887,0.1302848893958371,0.000334397537475,7.098892150746018,1.916756021386253,4.354203548808452,0.2496556365856142,14.0148384956282,35.24771320247297,1.0949561491229216,5.389117351556178,0.841324041342457,33.4753739060783,10.744117749557889,28.25355107536804,0.6379283732724321,-5.389117351556178,-0.841324041342457,17.479401751311173,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,14.83261471525564,15.754749509916232,16.573663783119688,17.30168287207868,17.949353396584616,18.52596461615726,19.03979578993271,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_30,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0197929785857116,0.203330082456712,0.942538259740234,2.53689625235975,4.2536625713141465,5.412350320509316,6.021167427112944,6.305188088895388,6.411603962788091,1.932454496135447,0.1355819379122002,0.0004098733202692,6.356704888379572,1.7117180268789525,3.8939038263112633,0.211414418722738,13.721146016062304,35.198926538193405,0.9899495470373048,3.9762463154611294,0.6677565743384625,29.549031687809176,11.816499230434546,31.126743551970804,0.7245295517842272,-3.9762463154611294,-0.6677565743384625,20.25933185395145,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,12.994018612548231,13.847572420143,14.608676832070309,15.289040904904532,15.898116130568171,16.44390882709666,16.933419539900054,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_31,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0174972349057172,0.1944497958594452,0.927299018128378,2.5693254234092766,4.372493415120044,5.592675559555533,6.233043634619919,6.531470231600667,6.643224749086424,1.9403303825973184,0.1282996543992585,0.000318138934813,6.681153037947023,1.818464671385208,4.022151206705646,0.2180373390378575,12.481070543018204,32.19716828844644,0.8705328529334846,2.731595872048593,0.5530127307599696,25.715283161235767,11.637401129809914,30.396776090358,0.7562564600212047,-2.731595872048593,-0.5530127307599696,21.71560940930597,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,15.123364965705804,16.02021478538329,16.81802934924292,17.52782289354397,18.159353055143143,18.72143666786728,19.222063426696977,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_32,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0165713324082807,0.1835338075260686,0.8591688895732825,2.2906953207814618,3.811459074727654,4.831439442780912,5.366071100334071,5.615248692872504,5.70857598702439,1.750976371633476,0.1213035019091807,0.0002900411104119,5.560386600656592,1.4515328227454,3.352866390884849,0.1219911778307071,17.46766959401712,45.43107029474166,1.1598425413022917,3.6259762545455567,0.6572804838335087,32.939542031598435,16.51129887359074,43.38706653242563,1.0272872644051958,-3.6259762545455567,-0.6572804838335087,28.30010734020009,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,15.021185402362644,15.91659867173454,16.712447398207324,17.41953850807358,18.04766180768045,18.60577272673194,19.1020291553826,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_33,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0150639525058277,0.2117194382314404,1.0882429026035465,2.8526321900484093,4.640741588900356,5.8062595127756405,6.408335665472888,6.687066168282652,6.791167768921568,2.19927653261897,0.133300648569262,0.0002223384117837,7.3442630174758206,2.33487320691334,4.196823855502049,0.2790806768792516,14.615389999286611,36.623580512776,1.081553932775812,2.6247323120235206,0.760363895864726,31.53581202541802,14.29533161462211,35.946425946236495,1.0438761924203723,-2.6247323120235206,-0.760363895864726,30.217091112977634,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,14.949236022732064,15.905756944927218,16.7516356136916,17.49903666351428,18.159297028996825,18.74285317160808,19.25916705252948,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_34,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0250123101787193,0.2596498468073215,1.0255388611829306,2.539130637864304,4.18815745514079,5.3138396427388335,5.907962173219463,6.185584609749043,6.28966672085433,1.965323729099275,0.1757740227085432,0.0005309307350982,6.324308014676438,1.658262177862232,4.1368467981184445,0.3705168422786436,7.5006499389083805,16.524757504270013,0.8339137443966764,4.918947207944171,0.9008271433931886,27.351450568803493,3.811146745949693,8.627960345775204,0.3114780108755163,-4.918947207944171,-0.9008271433931886,9.06619989556289,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0161,15.279692341813462,15.954606932720871,16.573804385914798,17.144410942598356,17.670965221551743,18.156715391328536,18.60434434607492,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_35,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0230918544705624,0.2441559060537361,0.9929166987895884,2.4523701216343343,4.012461773445113,5.072355678768186,5.631681809525261,5.893155007426368,5.991208463597438,1.9038750860295857,0.164209439467946,0.0004817666384323,5.926703505557521,1.658773988967896,3.6580994688305593,0.2547247949142088,6.275936059879048,13.886131962087614,0.6684505223636686,2.76522520818152,0.6976914432940992,21.570495543388507,4.566529770391742,10.227991152542714,0.4269529848946929,-2.76522520818152,-0.6976914432940992,13.118081731974357,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0161,14.557047596854376,15.36369329647212,16.09083128232866,16.74856956419739,17.344597559831275,17.885155098648887,18.37559822874454,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_36,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0213198953584346,0.2317192952502605,0.9521590059329128,2.228172574691045,3.493160976232673,4.325339471864645,4.759161114856765,4.960999491628932,5.036550004931989,1.763936844531507,0.1543320032066535,0.0004344782214041,5.587891164487563,1.4994135455783462,3.3367404916124417,0.1107470368723064,7.489042203844184,16.15740934698248,1.0091344052421525,13.138731353392265,1.216308116346583,34.85942573366598,-4.537100793203958,-9.597560293490462,-0.7082411336080824,-13.138731353392265,-1.216308116346583,-25.248718126092253,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0161,14.54773495221474,15.427924725736125,16.21640838345381,16.92406422122887,17.559912346827105,18.131695125660737,18.64623126322548,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_37,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0170044291294935,0.1913759118754179,0.8461902282770822,2.0599398214657683,3.2628226840228187,4.051019121783324,4.461175336844228,4.65186918182098,4.723229044869907,1.617238907971536,0.1261873701174935,0.0003019661472668,4.829515390672737,1.241198107154094,2.8994399247637466,0.0805217594561058,14.618711892638196,36.36712046606723,1.2467453782473763,9.795221420412783,1.051756977417289,38.88034792764383,7.026577386724187,20.108924864630893,0.1635142266904066,-9.795221420412783,-1.051756977417289,0.9672576231498896,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,14.342663196307978,15.252763630664164,16.06220175280789,16.781745001772276,17.421253709951028,17.989773544704132,18.495547994539443,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_38,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0199616771744592,0.2044469979622084,0.90261996537492,2.353132214817243,3.883590548458445,4.900219469045922,5.429402400270993,5.675140623725423,5.767031117601206,1.807050446081934,0.1369905358510513,0.0004133843314931,5.79983204329118,1.377605209011408,3.696833985356976,0.2077175917704189,14.595600507564445,37.50702339376045,1.0439832840759056,4.452679747378376,0.688254368927933,30.80191997518103,12.35913808049822,32.72178858906073,0.728810818939571,-4.452679747378376,-0.688254368927933,19.77088369540932,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,15.27025185743782,16.04228232199949,16.736795602964754,17.363034957553875,17.92808623450701,18.437925453372888,18.89789794106714,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_39,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0187959617836748,0.1968439304588209,0.8727167720745884,2.2262872945571472,3.628106369585774,4.558574154120452,5.044160539048797,5.270060706367676,5.354606168846774,1.721956046690385,0.13132332634937,0.0003698815603845,5.113166958322975,1.3015743159526123,3.1746932698257644,0.1610916431325436,14.360624243097869,36.72908862789466,1.057228939759752,5.136088107897183,0.7286458895710324,31.48882055132498,11.408535976288425,30.40920741943916,0.6378499099306607,-5.136088107897183,-0.7286458895710324,16.81055450730678,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,14.729270854508735,15.65315876873353,16.470991879027604,17.19738691284647,17.84405635804755,18.42076420348579,18.9358775302816,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_40,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0169693675615851,0.1936379125794871,0.8952010637052632,2.4134457035227865,4.096864509441107,5.252606766824693,5.864289937456489,6.150492152984011,6.257850627042438,1.8321840675790173,0.127490211881929,0.0002971272749492,5.837163202071324,1.4433011605220438,3.652379444202916,0.2141110343626064,15.210472529701184,38.946462718456,1.071859702460326,3.4014831451249945,0.688721331473809,31.13641752092657,14.152508355073442,36.68624440778159,0.9261118833261076,-3.4014831451249945,-0.688721331473809,26.03524385122893,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,15.524076127621468,16.356828729878696,17.10162721226681,17.767399511629723,18.36217533378029,18.89337558159561,19.36787679414712,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_41,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0189798113621431,0.2020922350709222,0.9787158471637382,2.6966840243361787,4.56026424570718,5.817044123648762,6.47617136041562,6.78330475101006,6.898318038668096,2.0424385705983683,0.1334895644768989,0.0003769728618469,7.056753851107972,1.9091520195221727,4.310563620898698,0.2424637986168482,13.366721860449513,33.59577151623908,1.053442375879026,5.378472884547826,0.8192021004589127,32.39119111215013,10.002617453460651,26.401079117146303,0.5825538539301233,-5.378472884547826,-0.8192021004589127,15.910092843938532,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,14.94792288736461,15.833570980159145,16.62299577970783,17.32788930566465,17.957907720738685,18.52139906189597,19.025763721275148,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_42,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0175249215947395,0.1926845103968263,0.8800967869319027,2.3370522997087235,3.9018290902203394,4.955844822996267,5.508945745047395,5.766806541975803,5.863393813425055,1.7853522308740748,0.127671428891668,0.0003198742755665,5.608828082267218,1.4602828772613432,3.47727991919789,0.1725612183527524,14.318716602499354,36.86531265546694,1.0096736553704124,3.801792308876028,0.6578480443457227,29.828612078739766,12.673333293513998,33.35089389322747,0.783731559789843,-3.801792308876028,-0.6578480443457227,21.920638733419832,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,14.944888675077696,15.867418189061445,16.684067807957586,17.407437245990664,18.048603654196327,18.617413735996934,19.122635758472047,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_43,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0175581605406182,0.194721955929833,0.9243638856917116,2.563878185020966,4.374393428404748,5.604239056167065,6.250971753832434,6.552645741962814,6.6656608120749175,1.934669993137185,0.1285841650291328,0.0003201693746233,6.673481423211241,1.8152955008993656,4.019679521107002,0.2181692757770885,12.699635676875571,32.749967119824106,0.8876339084158305,2.850700404986437,0.5660189052331025,26.23018972848146,11.769786263063256,30.76508879494323,0.7611238392173887,-2.850700404986437,-0.5660189052331025,21.802337306536,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,15.40190959780805,16.264401078244614,17.033488148842995,17.71913302148763,18.33025062206048,18.874982432901675,19.36077614028229,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_44,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0173271355362927,0.1886970978399004,0.8255632005911511,2.121508166217083,3.5073628860769226,4.441268446172355,4.931245213347012,5.159614930404974,5.245142623389916,1.632721578865516,0.1255201598168024,0.0003148098941516,5.264786035963812,1.3167351373344651,3.180218216328812,0.0812484715895637,11.840763411134798,30.53821164881114,0.8265603474361888,3.0174461701512234,0.5274652547105694,24.273069771690604,10.610224916494555,27.909985332275035,0.6576949923471663,-3.0174461701512234,-0.5274652547105694,18.36278234357481,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,14.2798747240089,15.232214606354995,16.080415941638357,16.835284867486664,17.506831806369494,18.104318330403625,18.636235483642867,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_45,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0151669273985911,0.2136219304501645,1.1072886530988837,2.913900414988633,4.741437683094829,5.930831408265547,6.544837614363414,6.829017301906955,6.935143457679909,2.245121024856198,0.1343563603678676,0.0002248582836142,7.508736246297505,2.426243747084584,4.267824271468377,0.3063197210868162,14.248509355385108,35.56138450484036,1.0686031287213726,2.58533161638024,0.7697939822466533,31.347051646412915,13.910193360481836,34.846350604507684,1.0295022510409022,-2.58533161638024,-0.7697939822466533,29.978520927596445,84.0,222.02951,5.0,0.0,0.0,130.0,-7.0,-14.99146,-1.0,-15.0,-2.06,-35.0,RSM0161,14.869061822848138,15.82409170971095,16.669904834250893,17.41833868971128,18.08042105017941,18.66632830885902,19.18531795797576,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_46,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.023426055739007,0.2527373983491917,0.9949176778619144,2.481132152260713,4.130064816093952,5.266514433144474,5.868889829689381,6.150888221560429,6.256690412514651,1.9137571679825456,0.1706598000127034,0.0004529806798364,6.129487943087556,1.5872977205793632,4.000596295981832,0.3483398414423691,7.313253879037819,16.121251497487368,0.8085751529141867,4.559074385149363,0.869444830188851,26.47403780767636,3.9577344061681945,8.93926533659053,0.3334043008571721,-4.559074385149363,-0.869444830188851,9.843057985680838,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0161,15.21144312270416,15.92074617578021,16.570212834333045,17.166527719033276,17.714225326660763,18.216849354186497,18.67754493786525,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_47,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0222162103027373,0.2394921608680081,0.9821502262348784,2.411657393269894,3.929833715883657,4.96014454809608,5.503884260716973,5.758101766190838,5.85344063333457,1.8763103688931708,0.160421123017698,0.0004501278389311,5.713995783447542,1.6053530953495443,3.530756202437886,0.2527167058575154,6.118852615574354,13.547061481269449,0.647945536449105,2.536255405909196,0.6720128348861896,20.839313893332445,4.617790735590922,10.334348962165455,0.4354648051671281,-2.536255405909196,-0.6720128348861896,13.402488298463256,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0161,14.381356749257083,15.13130187742216,15.811168729049408,16.428747915481857,16.990060988212964,17.500164138449964,17.96357308068121,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM0161_48,RSM0161.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0206622070855136,0.2258679191014733,0.9457156437924954,2.240082772960531,3.524015799990011,4.366804560612337,4.8054919562332605,5.00943853850808,5.085752953104893,1.7685073464779748,0.1500725653467173,0.0004154437995111,5.542776863225668,1.4901831098208511,3.313419881929798,0.1137494288854913,7.506572790717751,16.208073863679374,1.0049084709156972,12.797246210988614,1.20717129381183,34.68387846587943,-4.170714246681177,-8.799730175709232,-0.6625890667920408,-12.797246210988614,-1.20717129381183,-23.678535353891395,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0161,14.660525257588343,15.5448423706882,16.334205507807027,17.04056283676912,17.67363725514933,18.241659419238864,18.751799749038724,[O]P(=O)(CP(=O)([O])[O])[O].[U].[Zn]pcu.cat0,"linker [O]P(=O)(CP(=O)([O])[O])[O], nodes [U], [Zn], topology pcu"
RSM1862_0,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0025738058258326,0.1645770155161341,1.1544211492128107,3.11920586627714,5.14012093705762,6.494269092041989,7.20615012690787,7.538562100920396,7.663171846465317,2.3928640766494143,0.086154401209754,1.5828603467364323e-06,8.267149586272716,2.912741781991541,4.856543782093755,0.3714256175830083,17.16990217893568,39.30032112209003,2.023145403210904,8.916479374996767,1.856030619443786,73.76446727117373,-17.16990217893568,-39.30032112209003,-2.023145403210904,8.630467791251018,1.856030619443786,-73.76446727117373,0.0,0.0,0.0,9.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM1862,21.96134472504025,22.3210862127964,22.60484783857297,22.83222185183901,23.01697960056442,23.168994435911703,23.29547508537433,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_1,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0036865137750711,0.1722489728884005,1.0793331157581432,2.852306582455457,4.688660713590614,5.922630362159236,6.571778560760435,6.8749464680696,6.988598330883125,2.195241966767468,0.0945358101112087,3.879382466270831e-06,7.485397261611326,2.457063798845532,4.525676698626954,0.3512033826238853,17.8905593642801,40.83983676664751,2.121876500162228,8.59398195129848,1.7229592888284893,77.07559350488512,-17.8905593642801,-40.83983676664751,-2.121876500162228,7.127511035924643,1.7229592888284893,-77.07559350488512,0.0,0.0,0.0,9.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM1862,21.65280890007801,22.03712291252646,22.34591519537064,22.597093758734108,22.803726179429106,22.975479852535464,23.119601301035107,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_2,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.002178845430567,0.1575609613919389,1.1488227380436742,3.1792696690149755,5.320996696586289,6.772136953983468,7.538047341996141,7.8962081580104355,8.030542834712579,2.420843713218204,0.0811171207018103,1.1057222823349852e-06,8.911640872451372,3.044560786105908,5.2285205982667815,0.3650170428028781,17.24743501886356,39.468039473155656,2.03484759431279,8.891955358387603,1.845388153960132,74.20215650757754,-17.24743501886356,-39.468039473155656,-2.03484759431279,8.473784226634123,1.845388153960132,-74.20215650757754,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1862,22.20970847839597,22.535777506835185,22.79160164860621,22.99573802815143,23.161071174772243,23.29674957635073,23.409401117976323,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_3,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0024313625016411,0.1659924395235826,1.159993343375028,3.1825434613296464,5.389836657133898,6.927954012603343,7.751702203757757,8.13948448937959,8.2853337374581,2.4205092903810064,0.0863542329264931,1.3739985287969357e-06,8.817100467241344,3.10942693420034,5.123809942030476,0.3706276450819801,17.170027047136347,39.30218859033842,2.024389938170641,8.9233175851974,1.8587331391170547,73.8529453159143,-17.170027047136347,-39.30218859033842,-2.024389938170641,8.625018166684628,1.8587331391170547,-73.8529453159143,0.0,0.0,0.0,9.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM1862,22.264243266812624,22.58143786570557,22.83031205266129,23.028926337501613,23.189812747101453,23.321865713013658,23.431527466896352,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_4,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0040617044424446,0.1757654077148862,1.041807086524705,2.696684446618588,4.419643385105241,5.58561714898649,6.201427343908136,6.489558634498464,6.597657745055268,2.0834449622804763,0.0979510249790152,4.7891991700853055e-06,6.648065473067634,2.215563871474632,4.087649809471458,0.3312318135528725,17.953974496057825,40.9740553547807,2.129593681733624,8.56020484091153,1.708999808161361,77.29748985109937,-17.953974496057825,-40.9740553547807,-2.129593681733624,6.999486806821199,1.708999808161361,-77.29748985109937,0.0,0.0,0.0,9.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM1862,21.605033271180183,21.992317507230105,22.30457009688637,22.559258158130223,22.769236680582708,22.944080670663304,23.091006926379315,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_5,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0025735294816564,0.1645656438803986,1.154376480950565,3.1191458246864503,5.140072108474754,6.4942353120378655,7.2061258068078144,7.538542486992255,7.6631540392387185,2.3928053609690623,0.0861478007540111,1.5826229880834995e-06,8.266967688123422,2.912594887091313,4.856491443427992,0.3713963135749463,17.16990108006304,39.30031752721338,2.0231455705304104,8.916471609995991,1.8560284405425111,73.76447494475096,-17.16990108006304,-39.30031752721338,-2.0231455705304104,8.63044530754757,1.8560284405425111,-73.76447494475096,0.0,0.0,0.0,9.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM1862,21.96141117190171,22.321142445398376,22.60489594517141,22.83226341677169,23.01701583741777,23.169026284765145,23.29550328292936,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_6,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0036865265262827,0.1722498598457841,1.0793480239402655,2.852347999303544,4.688726923478863,5.922713187122725,6.571870238930464,6.875042313992373,6.988695744903303,2.1952740924063963,0.0945360664097219,3.879587144273671e-06,7.485609798432342,2.457136588824866,4.525818866445517,0.3512185288020876,17.890680302005773,40.8400991244164,2.1218950112558006,8.593947548111457,1.7229436541706786,77.0762970829712,-17.890680302005773,-40.8400991244164,-2.1218950112558006,7.127271153167216,1.7229436541706786,-77.0762970829712,0.0,0.0,0.0,9.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM1862,21.652711717543266,22.037035458432022,22.34583650766394,22.59702289634692,22.803662254345443,22.975422052687183,23.11954889996238,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_7,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.002179089551217,0.1575686198552192,1.1488462426185964,3.179301388210965,5.321021542530022,6.772151537017057,7.53805518452925,7.896212583870518,8.030545938877877,2.420874529508158,0.081121985682758,1.1058060701474958e-06,8.911730543496759,3.04463016293922,5.228553654442868,0.3650350435386376,17.247387454104683,39.46793774769713,2.0348409350725807,8.891976286185638,1.8453968052499103,74.20192818455722,-17.247387454104683,-39.46793774769713,-2.0348409350725807,8.473885065314672,1.8453968052499103,-74.20192818455722,-17.0,-38.938645,-2.0,9.0,1.89,-63.0,-24.0,-53.930105000000005,-3.0,-6.0,0.6500000000000001,-108.0,RSM1862,22.20978327786936,22.535839702734496,22.791654114287088,22.995782844630483,23.16110987956992,23.29678332664586,23.40943079955601,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_8,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0024315755133837,0.1659955964440464,1.160009445953352,3.1825818930044294,5.389898687763847,6.928032384881495,7.751789211739132,8.139575523917795,8.285426279285897,2.4205395469317144,0.0863562485811103,1.3745196674583708e-06,8.817372887682577,3.109487930100706,5.123982601330892,0.3706295147718429,17.170272435516353,39.3027168672951,2.024424528965948,8.923230076875763,1.858694984794935,73.85415924656289,-17.170272435516353,-39.3027168672951,-2.024424528965948,8.624541591322158,1.858694984794935,-73.85415924656289,0.0,0.0,0.0,9.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM1862,22.26443830103558,22.581603743576007,22.83045453847093,23.029049856751545,23.189920725002185,23.32196082663076,23.43161183025832,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_9,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,25.0,54.938045,4.0,7.0,1.55,139.0,0.0040621198640643,0.1757765783447554,1.041837577461257,2.6967275699374635,4.419696130943629,5.585676073479461,6.201489468010768,6.489622241999446,6.5977219069068695,2.083484255221739,0.0979582245136743,4.789359875332123e-06,6.648077679027307,2.21564069299398,4.087616615815247,0.3312450371992096,17.95390256836582,40.97390068380302,2.129584060465348,8.56023032942671,1.7090109483370133,77.29716804667642,-17.95390256836582,-40.97390068380302,-2.129584060465348,6.999617145084051,1.7090109483370133,-77.29716804667642,0.0,0.0,0.0,9.0,1.89,0.0,-24.0,-53.930105000000005,-3.0,-6.0,0.0,-108.0,RSM1862,21.6049405751758,21.992235303968748,22.304497043526847,22.55919303784781,22.76917842497123,22.94402835787643,23.09095976839982,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_10,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1427942059921045,0.5037294124498792,1.4525363048294868,3.1542991020461995,4.838962831119497,5.939712630037257,6.511047757749161,6.7763007437674165,6.8754979859727845,2.5338829261471103,0.3951672540573233,0.020638598810437,9.670040286497988,2.698874772640937,6.282093581433201,0.4705833277111165,4.711576461704376,10.241727127157835,0.7466184413784388,9.619492225971008,0.5862059968299558,29.161850773723497,4.711576461704376,10.241727127157835,0.7466184413784388,9.619492225971008,0.5532407278587859,29.161850773723497,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1862,3.350781832189211,4.0068707911474,4.684109808367908,5.3658951240017325,6.039265794650713,6.694856659289799,7.3264670530335,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_11,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419550396244784,0.5143299844808116,1.5775308831690784,3.5512911196196786,5.565546090434245,6.906730757364633,7.608972826380526,7.936227140220208,8.058797100713868,2.823979360556468,0.3988178209834614,0.0204216941782178,11.874876671170114,3.3787517736523203,7.832011663679541,0.8239767632700872,4.642273702430818,10.108544576426768,0.824535589590712,11.238558419156517,0.5231233787339731,34.50612275919575,4.642273702430818,10.108544576426768,0.824535589590712,11.238558419156517,0.5231233787339731,34.50612275919575,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1862,3.44144232089226,4.090599175551349,4.763490703703744,5.442700593806604,6.114579475060508,6.769253599629483,7.400185061810794,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_12,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407498978474149,0.4835949489537104,1.2692180476501702,2.6389737461331264,4.100427450554156,5.115560392372858,5.659184297416494,5.915156179142979,6.011443513143568,2.129953103812915,0.3839563417332414,0.0201502834364359,8.023292818268008,1.7873114358777118,5.32220960764476,0.1355725956556523,4.15191717436389,8.96613755908996,0.6650689841538757,9.472469047594894,0.6024743167084547,25.79524301895185,4.15191717436389,8.96613755908996,0.6650689841538757,9.472469047594894,0.6024743167084547,25.79524301895185,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1862,3.4276159988181103,4.093909736155745,4.783762428522898,5.478890274004948,6.16506026142388,6.832094723059883,7.473375568856276,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_13,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1399993520583623,0.4778199446387248,1.2587368087689217,2.6667102697176635,4.163482048017722,5.18952817647823,5.734381039121039,5.989874875046202,6.085812751638355,2.14170826616184,0.3803988001590505,0.0199538956934708,8.022857492241092,1.8186225780743763,5.275625744704115,0.1478088101896143,3.3774347066910937,7.2859011651237235,0.533568304705425,7.6459811443344945,0.5025178731548651,20.46260779592428,3.3774347066910937,7.2859011651237235,0.533568304705425,7.6459811443344945,0.5025178731548651,20.46260779592428,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1862,3.4575807710562776,4.118373051080505,4.802219148589842,5.491386646949083,6.172000098105357,6.834082749898398,7.471103313651944,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_14,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1396792514157243,0.4955054232416362,1.468396854739512,3.356146394528212,5.323904346317963,6.63899620315179,7.327749957705742,7.648678199670845,7.768868186061687,2.6523036578064314,0.3883257613949783,0.0198123518996412,10.55567388514404,2.965215422663602,6.876476929186212,0.6041711538334201,4.766526471699755,10.347609675278202,0.8156706763757641,11.28568214108576,0.5933469176071098,33.26697630564189,4.766526471699755,10.347609675278202,0.8156706763757641,11.28568214108576,0.5931547113188684,33.26697630564189,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1862,3.062468839017047,3.7014227458229656,4.371990586700973,5.055282242056213,5.736137860140422,6.403345980524651,7.049275642980179,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_15,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415808945482023,0.4857545474926837,1.3163292218946152,2.9807378020779725,4.8770776228290105,6.2133625392017615,6.930311880043656,7.267864635787271,7.394814857852545,2.340779239606172,0.3860389750221641,0.0203293867292246,9.436452712811128,2.2487989621948543,6.154843315910891,0.2195675198207116,5.735985565977776,12.53493179002318,0.8857477454877564,10.248797361607249,0.6226895580756208,34.42520156922804,5.735985565977776,12.53493179002318,0.8857477454877564,10.248797361607249,0.5430438147719457,34.42520156922804,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1862,3.677896534614081,4.347703458050748,5.031014007311732,5.712764433798317,6.381494151129338,7.029149906526808,7.650606897834113,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_16,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400937827210877,0.4792897062052795,1.2590904907675369,2.630409478487945,4.068979403547155,5.052450794869918,5.574677869492934,5.819621339464447,5.911610957792864,2.1225411243034,0.3812558099359673,0.0199740207104946,8.106335890715068,1.817167782791776,5.32519868317952,0.1246787684434281,4.293961209242847,9.266719878999591,0.6818305733708293,9.748605796209482,0.6346768283624836,26.2583340897438,4.293961209242847,9.266719878999591,0.6818305733708293,9.748605796209482,0.6346768283624836,26.2583340897438,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1862,3.454182805641885,4.118414611778759,4.806527677531242,5.5002806281083965,6.185389690499299,6.851600808703853,7.492224247533561,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_17,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412842050879865,0.5310915897400057,1.6502077617073547,3.7124661891887847,5.801222078698806,7.187317608105296,7.912344161735982,8.250119566593847,8.376619125839396,2.9547415254949696,0.4088699737797692,0.0200064526002766,12.071259153109658,3.850092344060312,7.758967426810748,0.9431357764301378,4.911475183154281,10.672918813882507,0.8512645916642225,11.72159191646806,0.5910119573251331,35.031145500724165,4.911475183154281,10.672918813882507,0.8512645916642225,11.72159191646806,0.5910119573251331,35.031145500724165,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1862,2.998046537695834,3.633242285696727,4.302586020905623,4.98665382770629,5.669720943297817,6.340076650365439,6.989691963382303,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_18,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414287943880541,0.4879820019269424,1.3665192540545543,3.159215513662553,5.177270293833786,6.5837812979245065,7.333994130803552,7.6862494943523,7.818578249715657,2.4715706762458862,0.3866535211338792,0.0202844192275953,10.22722726281046,2.558967755560437,6.650739258903129,0.3100773214745054,5.692348567240093,12.43805325029208,0.8793677428674328,10.20041387723779,0.6201793980175838,34.17694629292345,5.692348567240093,12.43805325029208,0.8793677428674328,10.20041387723779,0.5419665498551006,34.17694629292345,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1862,3.5285217705450136,4.190148950459823,4.868054104035312,5.546877390829107,6.21479755711799,6.8633866340315794,7.487163357076515,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_19,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1429615672565817,0.5036932418656606,1.435731118904863,3.0929519029110515,4.7480919336120255,5.837837501707773,6.405613841411872,6.669657552835296,6.768470553739376,2.4876104717259366,0.3953433469224838,0.0206883180797475,9.298740532275998,2.585829945832379,6.02450443178771,0.4375767799596503,4.406598388488431,9.578919793011456,0.7061572645228386,9.172418865312952,0.5452492880827707,27.77663270531005,4.406598388488431,9.578919793011456,0.7061572645228386,9.172418865312952,0.517904789721684,27.77663270531005,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1862,3.320674988107867,3.980402140554745,4.661012354364016,5.345810302870319,6.021811800959308,6.679667941649272,7.31321354222414,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_20,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408845910781671,0.4904894871840376,1.4417483637822537,3.314999467541231,5.30156447556524,6.645545203688258,7.35387352771384,7.684872708662018,7.808983002348352,2.612628776464145,0.3862330204807653,0.0201826501394422,10.894483635416254,2.8129059669259924,7.208065386761377,0.5334255594358251,4.544982347885957,9.887595696879176,0.7984392979132862,10.932496731192249,0.528477574801205,33.165839114500244,4.544982347885957,9.887595696879176,0.7984392979132862,10.932496731192249,0.528477574801205,33.165839114500244,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1862,3.3884824449095,4.042630015682239,4.720356890980982,5.404136698081208,6.080267644005748,6.738867143394215,7.373416705133276,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_21,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407565679926046,0.4825047131169572,1.3111376406181516,2.8589063978809484,4.505116629594441,5.625449738757262,6.217529223851889,6.494516837627326,6.598421021409621,2.2796865207588937,0.3830105129220586,0.0201630040243967,8.985070980013004,2.2110131378912814,5.758593519538503,0.1778089422450988,3.7194525327637207,8.019104481501307,0.5831314175264838,8.384503872975591,0.5617849692176984,22.221936563035264,3.7194525327637207,8.019104481501307,0.5831314175264838,8.384503872975591,0.5617849692176984,22.221936563035264,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1862,3.4612551738717228,4.125423505893511,4.8109727340707655,5.500578318340685,6.180761777506055,6.841874765629432,7.477632905511127,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_22,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2000219463356466,0.5684939022816498,1.5027533597733975,3.382195281473289,5.432871182197185,6.844219918876937,7.594098141081899,7.945758062209816,8.077806771435283,2.670286531681486,0.4638339486687186,0.0403376025952831,9.022849728707277,3.565652518196425,5.087645595469554,0.97557183615241,7.565977134088264,16.44607164871656,1.0529836181222847,12.157742848289631,0.9906009042239864,37.52129755416586,7.565977134088264,16.44607164871656,1.0529836181222847,12.157742848289631,0.8719881851761295,37.52129755416586,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1862,4.070124805683861,4.982889559941334,5.880158213004083,6.738567203845756,7.544480492376365,8.291367094783537,8.977494261097851,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_23,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2011221293699176,0.5341762244225046,1.3817611335728033,3.167905764422003,5.128330623016892,6.474549968895813,7.188389091547826,7.522793780683196,7.648304686903403,2.487945475037572,0.4434080338006147,0.0413399958077994,8.168879272914007,3.0342682165905264,4.624530410016536,0.7402689836608563,7.747641689524245,16.840595393301484,1.0738769771468428,12.355663039154832,1.0164409666038634,38.14017758160526,7.747641689524245,16.840595393301484,1.0738769771468428,12.355663039154832,0.8931578045132109,38.14017758160526,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1862,4.786308697090516,5.748980545039228,6.671397862318169,7.535387388097078,8.332371203772908,9.060143628353003,9.720410527233444,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_24,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.142794783840611,0.5037413105799294,1.452566581691716,3.1543357570727943,4.838998536804855,5.939746281966509,6.511080040543855,6.776332328734342,6.87552930026472,2.533918707205652,0.3951751583002472,0.020638599883649,9.67026057202449,2.698915504916179,6.282265668541227,0.4705987898126687,4.711346339888102,10.24121865001385,0.7465860788670199,9.619231853149593,0.5861886812493404,29.16063801454004,4.711346339888102,10.24121865001385,0.7465860788670199,9.619231853149593,0.5532304895117911,29.16063801454004,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1862,3.350833571811136,4.006925219677816,4.684165280070958,5.365950402162474,6.039320001913584,6.694909206608447,7.326517570606639,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_25,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1419552952692169,0.5143421480207191,1.5775865765724646,3.5513848928517664,5.565654483004698,6.906841682768823,7.609083399085374,7.936337206291409,8.058906924313616,2.824063044854907,0.398824636655862,0.0204216944055319,11.875317605568956,3.378954182694897,7.832258355621994,0.824036743173879,4.642233549355995,10.108460316562482,0.824531544945744,11.23848590892195,0.5231128076857289,34.506040399422105,4.642233549355995,10.108460316562482,0.824531544945744,11.23848590892195,0.5231128076857289,34.506040399422105,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1862,3.4414830193603176,4.090643038813195,4.763536633509667,5.442747605320418,6.114626748079604,6.769300482537025,7.40023105427491,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_26,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407597458791268,0.4836066285378428,1.2692166877148132,2.6389426370193583,4.100361901538592,5.115471216269762,5.6590827780560815,5.915048936644882,6.011334133240776,2.129933606521436,0.3839687580081247,0.0201531093016388,8.023053480834509,1.7872322316838156,5.322073147986762,0.1355641578078017,4.151870197444125,8.96603418632724,0.6650595880805352,9.472346902088407,0.6024711142381182,25.794820178416845,4.151870197444125,8.96603418632724,0.6650595880805352,9.472346902088407,0.6024711142381182,25.794820178416845,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1862,3.427587500029986,4.093876589184901,4.783725376412985,5.4788501882344685,6.165018016743914,6.832051125017491,7.473331319838274,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_27,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400016785719197,0.4778246795227342,1.2587423169078706,2.6667169623230413,4.163490251733016,5.189537123924632,5.734390269453218,5.989884212139015,6.085822124672681,2.1417144046097825,0.3804030522220186,0.0199545292064177,8.022862537597454,1.8186570800949629,5.275594897249238,0.1478109038590631,3.3775772082629465,7.286212352881146,0.5335944826742128,7.646333069656649,0.502532202662862,20.46372774588016,3.3775772082629465,7.286212352881146,0.5335944826742128,7.646333069656649,0.502532202662862,20.46372774588016,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1862,3.4575894906070253,4.118382067487191,4.802228291412973,5.491395774688284,6.1720091012930665,6.834091548162071,7.471111850745309,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_28,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1397329357372404,0.4955603123146818,1.4683876267014042,3.356084247799426,5.323818653701636,6.638901691315502,7.327652125243589,7.648579056466511,7.768768586610436,2.652255572371673,0.3883879225031393,0.0198277089456192,10.555273008022256,2.965107868448768,6.876306123865818,0.6042161081096715,4.766639818727594,10.347852826809126,0.8156893776404206,11.28597644413179,0.5933665423287743,33.267705225071126,4.766639818727594,10.347852826809126,0.8156893776404206,11.28597644413179,0.5931753062707998,33.267705225071126,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1862,3.0624656263515884,3.701420154588284,4.371988831243035,5.055281424374238,5.736137995380422,6.403347023416989,7.049277510761194,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_29,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1415864057538649,0.4857716594763502,1.316354708123299,2.980739371841968,4.877041474427145,6.213298499106827,6.930232774579666,7.267778436576608,7.394725991994696,2.340792066500228,0.386052587154615,0.0203308200624812,9.436228942962604,2.2488047414303534,6.154633665528688,0.2195711965168567,5.735634937879556,12.534132765737208,0.8856974949030636,10.248722143547852,0.6226989534016024,34.4231468481979,5.735634937879556,12.534132765737208,0.8856974949030636,10.248722143547852,0.543074177696291,34.4231468481979,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1862,3.677886362068617,4.347692230505306,5.031002275284523,5.71275261026016,6.381482530338317,7.02913868714473,7.65059620516981,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_30,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400941616990617,0.4793011901414764,1.259127035130046,2.630460730371304,4.069038874863904,5.052515901273748,5.574746175834603,5.819691202949759,5.911681415483221,2.1225886392695505,0.3812629251165035,0.0199740211033401,8.106390777639929,1.8172584324887664,5.325156269836743,0.124691643024676,4.293901509217381,9.2665915230257,0.6818215584915617,9.748473977149876,0.6346671975472842,26.25800154832241,4.293901509217381,9.2665915230257,0.6818215584915617,9.748473977149876,0.6346671975472842,26.25800154832241,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1862,3.4541842009989985,4.118411738556357,4.806521207059309,5.500271240950238,6.185378022966748,6.851587424573405,7.492209627695082,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_31,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412722357533919,0.5310715108712891,1.6501889730499408,3.712473696768823,5.80125788519242,7.187369727671551,7.91240385843595,8.25018256496199,8.376683323426638,2.9547384144061186,0.4088515789642833,0.0200030460362502,12.071371683607904,3.850148061190584,7.75902442559859,0.9431526023324712,4.911546351903126,10.673074645506832,0.8512780471642767,11.721770729217338,0.5910190385819489,35.03173154198374,4.911546351903126,10.673074645506832,0.8512780471642767,11.721770729217338,0.5910190385819489,35.03173154198374,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1862,2.998022927663408,3.633213155297284,4.302552453469997,4.9866168843410845,5.669681594500778,6.340035742432299,6.989650208210263,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_32,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1414287848986699,0.4879833980532179,1.3665358968721388,3.159258131388961,5.177330981291895,6.583850564889812,7.3340670473280865,7.686323940938822,7.818653243297851,2.471604783859079,0.386654040049972,0.0202844192117248,10.227334603938,2.5590482998237185,6.650769315001882,0.3101046281909915,5.692408451949056,12.438185609702543,0.8793764503386454,10.200487508806525,0.6201836773319022,34.17728035503919,5.692408451949056,12.438185609702543,0.8793764503386454,10.200487508806525,0.5419690985317307,34.17728035503919,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1862,3.528630607234531,4.190255192074396,4.868156319871212,5.54697473684463,6.21488961188995,6.863473267250104,7.487244630684174,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_33,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1430153966300149,0.503764105497689,1.4358010351551151,3.093023657751066,4.748152866381882,5.837885204186659,6.405653165784881,6.669692685909028,6.7685040737600906,2.4876828312184163,0.3954140474290752,0.0207039735806145,9.299013636099914,2.5859502628607323,6.024692604815451,0.4376548112037633,4.406383449665574,9.578455016156743,0.7061308605201924,9.172118301834454,0.5452163056103075,27.775805287511027,4.406383449665574,9.578455016156743,0.7061308605201924,9.172118301834454,0.5178756950962489,27.775805287511027,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1862,3.320656254960201,3.980384573331101,4.660996025140565,5.345795244796769,6.021798005919451,6.679655367399483,7.313202122487188,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_34,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140869651893853,0.4904735969448868,1.4417522853477749,3.314992435117352,5.301517625148985,6.645465386485189,7.353775346048539,7.684765784701503,7.808872778387869,2.6126307213595554,0.3862149938380048,0.0201783684529938,10.894418210274152,2.8129088024276223,7.207958073486881,0.5334121953478782,4.544724101499834,9.887041425545846,0.7984012442786513,10.931934055729045,0.5284338973063563,33.16446659200643,4.544724101499834,9.887041425545846,0.7984012442786513,10.931934055729045,0.5284338973063563,33.16446659200643,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1862,3.388470376041989,4.042619936481246,4.7203486318530175,5.404130054793112,6.080262405364306,6.738863106863461,7.373413684965581,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_35,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1406727730316528,0.4823697649569897,1.3109574767977177,2.8586994337629235,4.504899355481683,5.625228050438541,6.21730554056968,6.4942922707534425,6.598196129656578,2.279485970140584,0.3828851222677497,0.0201392422287231,8.984235538352797,2.210673079924134,5.7581399331429415,0.1777591781549978,3.719529847014188,8.019263126920476,0.5831357373136342,8.384615745523263,0.5618112744582494,22.22185237688345,3.719529847014188,8.019263126920476,0.5831357373136342,8.384615745523263,0.5618112744582494,22.22185237688345,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1862,3.46127684926018,4.125446410954349,4.810996114045151,5.500601615362071,6.180784600798899,6.841896856020269,7.477654102643648,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_36,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1999411311849157,0.5684250713381234,1.5027283558090443,3.382181616600791,5.432863910001621,6.844219317816503,7.594101799686816,7.945763867866791,8.077813406210483,2.670270846286856,0.4637554349787698,0.0403044996178997,9.022856018937787,3.5656130627590223,5.087689794785604,0.9755920424488512,7.566236769425536,16.446668428834222,1.0530160076786068,12.157617580161048,0.9905881661087804,37.52254265495767,7.566236769425536,16.446668428834222,1.0530160076786068,12.157617580161048,0.8719555131111295,37.52254265495767,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1862,4.070081593658543,4.9828516074087705,5.880124819717488,6.738537737213049,7.544454402196062,8.291343911349012,8.977473586858407,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_37,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2010685470849917,0.5341186774603963,1.3816952198188714,3.167806986527263,5.128215140572914,6.474431820593874,7.188271690936596,7.5226771685902625,7.648188437765406,2.487857203301545,0.4433487561109958,0.0413180784654124,8.16853610176635,3.0340513529330857,4.624398406404689,0.7402093207182797,7.747240885910031,16.83969127921207,1.0738281818632551,12.35564136371242,1.0164348050425134,38.13843614820783,7.747240885910031,16.83969127921207,1.0738281818632551,12.35564136371242,0.8931754605131145,38.13843614820783,24.0,53.930105000000005,3.0,15.0,1.2399999999999998,108.0,0.0,0.0,0.0,0.0,-0.6500000000000001,0.0,RSM1862,4.786401932410935,5.749087282031806,6.671512802561696,7.535506364647381,8.332491112752795,9.060262257120558,9.720526364040456,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_38,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2289916168026965,0.9515671416017868,2.2342511568297514,3.969241031787835,5.621662319120297,6.7213952833155,7.300819337707148,7.571880166766055,7.673582501968565,3.35823443252167,0.7472852815647173,0.024602408174506,10.735668883453211,5.603554813746482,6.363364942612944,1.8412019421030463,1.9519533328148035,4.217937713902535,0.3148369203167282,4.470648695348629,0.2908337726245643,16.056505070408583,-1.1964158703524788,-2.710212432865635,-0.3148369203167282,-3.715111232886304,0.0704479284028548,-16.056505070408583,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.655427616124197,10.392593117166562,11.111251540407292,11.80796024067475,12.479496209288722,13.123206733586343,13.737168764893802,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_39,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2232973149102599,0.9428746014984092,2.2274142596282807,3.9829468913253474,5.704447897171876,6.87011318297158,7.488770744608414,7.7790468530025,7.888086760230119,3.358566852562863,0.7378465951685017,0.0239372950508145,11.089775884423773,5.500541828163556,6.818905762754357,1.8253046319295003,1.4265391153184266,3.1315647200815584,0.277927784969841,3.649961395077155,0.1136983058027555,12.691251275988954,-1.3527387343799837,-2.984380710627978,-0.277927784969841,-3.576161014138712,-0.0808511436761329,-12.691251275988954,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,10.00011662484206,10.738159526686344,11.448998034658494,12.130996101282795,12.783100568325224,13.404648201578237,13.995313740445496,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_40,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190354321755904,0.9201890702335072,2.180256706286276,3.920994678359827,5.605199500153427,6.734269840536938,7.330876353908271,7.610299128023601,7.715186630758604,3.3038842892636384,0.7214354380493189,0.0234078228288613,10.924903691267184,5.4285158827651285,6.48276438691068,1.741767062028463,1.5623247387028123,3.437742302235259,0.3122356406042916,4.060209863537146,0.1098442766953654,14.056336505599894,-1.5600316673401042,-3.4331653317952937,-0.3122356406042916,-4.057916792174438,-0.1087206717276384,-14.056336505599894,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.851790925659838,10.604033381086138,11.33046649597265,12.02892994439383,12.697661812149567,13.33535470406087,13.941201005756607,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_41,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1009857228407816,0.7139656956232169,2.207101569031978,4.502667803614862,6.712487789157593,8.15616186288579,8.906361750155314,9.25484614685855,9.385197522827358,3.682260078639976,0.5152616217688184,0.0036841551409467,14.988853052952583,6.541836033942376,8.868016675177822,1.7377337991418198,0.7395644723292216,1.6173079229261975,0.1380528585048813,1.843987340368272,0.0709018047434011,6.458879531743733,-0.6409641127195914,-1.4206170159601383,-0.1380528585048813,-1.7453869807586422,-0.0257351962100156,-6.458879531743733,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.935970360640856,8.72093687693107,9.49525612128285,10.255233844375086,10.996658345705672,11.715439894801458,12.408042160427694,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_42,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1598259180473788,0.7843315305893633,1.9625900805562893,3.9942409248898807,6.202927191085738,7.722224423201139,8.527750315396052,8.904969181912794,9.046519214770395,3.2288079025890406,0.607321070494882,0.0102621181529937,11.908833830771984,5.5020713148919365,6.729102986926936,1.3537489579023343,1.8225895971158352,3.785828185107956,0.1464065548345694,2.9938420357923907,0.5365400804017291,12.041079082270564,0.3585240487701409,0.5640758145647405,-0.1464065548345694,-0.8127283899064149,0.4340554920175305,-12.041079082270564,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,6.803208071153173,7.606272325607679,8.398762622846808,9.175603331552052,9.932889010800835,10.667393893752063,11.376428697207592,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_43,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.102097612337512,0.7027067140419346,2.193909817503663,4.495134851969491,6.672204837569399,8.081254164220855,8.81099643996512,9.14956824596883,9.276155691998351,3.677561006876784,0.5085253119999885,0.0039271529065884,15.014876090416834,6.542123543761341,8.880391219179385,1.692195676692344,1.0639854155239203,2.231401787832401,0.1056034499692512,1.9088130152779303,0.29085598929232,7.431996077004626,0.0079509158314077,-0.0924570425349572,-0.1056034499692512,-0.8368766839226024,0.2169335743138442,-7.431996077004626,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.118477504251535,7.979172019057661,8.839867767717429,9.689025621848817,10.51716013102022,11.316949255390824,12.083127230497857,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_44,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1596222461962173,0.7907411111667695,2.0185939062679026,3.875057357575648,5.709659819875097,6.936723965353508,7.583185325524331,7.885490937505964,7.998892649284293,3.2067535319874207,0.6080503528592479,0.0106188607138412,10.31741114800642,5.489059236921587,5.5143357959148185,1.3961446206945085,1.7367140897938282,3.5199901868809857,0.0468028224794174,2.034721492200006,0.6751755619079008,9.42313072802536,1.3232681345919124,2.6101808632695,-0.0358863685609657,0.9215544199604438,0.640776118084541,-9.079262429594134,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1862,7.267160506966683,8.074289020893735,8.86613072184802,9.638008462641372,10.386563721535648,11.109228862008475,11.804012909813924,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_45,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1048923665578113,0.7126960019032811,2.179644790624942,4.3518111572046605,6.380424813121016,7.699391300770556,8.386094546325863,8.70564542591883,8.82528081799625,3.587216959918313,0.5170477277193704,0.0041320909454757,13.628782904196552,6.188633604302425,8.073808450855275,1.6752358355957446,0.9819561370256976,2.0455460000415457,0.0840691333697133,1.654509203983404,0.2931316096037924,6.591163352522753,0.1412648033285644,0.195561004291652,-0.0840691333697133,-0.5312882636291419,0.2342832162449931,-6.591163352522753,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,6.952723043614734,7.807924813168145,8.662118338355961,9.504927316060655,10.327636695881962,11.123352995972375,11.886979521382694,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_46,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1608476981798968,0.785985549531306,1.930059649396896,3.701474352234393,5.564534555816796,6.857349763240477,7.549879898734493,7.876044916371335,7.998750755794998,3.0496216640529124,0.6081928457663871,0.0106026659033693,9.38634722718425,4.906395558189891,5.212545165358154,1.2416119564409012,1.6004010944826137,3.193826586874923,0.0020044377387166,1.6164365963923466,0.7084220410263834,8.042094227187398,1.5803567170954471,3.1497178921268394,-0.0020044377387166,1.5643212151857142,0.7070189346092817,-8.042094227187398,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.1297047103559645,7.922266514392907,8.700859211321074,9.46154744919918,10.201441502500272,10.918127546006126,11.60951713661331,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_47,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1570791099264886,0.7795528742250508,1.9349476670871093,3.7692767322310425,5.675017929721856,6.968254718270079,7.651301789366567,7.9707796151403985,8.090613091545478,3.0934130661675483,0.6022734616407986,0.0099319987374223,10.09809807672872,4.977014253062286,5.570649337304534,1.3011156086067484,1.9277518709905068,3.999134391514595,0.1498748291526549,3.1267505042117456,0.5768342779295474,12.63625593800563,0.4290035794639573,0.7010608410992646,-0.1498748291526549,-0.7699950537572818,0.4719218975226891,-12.63625593800563,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,6.985964958200539,7.76355059279453,8.535944163883375,9.2973963929719,10.043155107347877,10.769145867642276,11.471922241290583,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_48,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1002736313397606,0.7088814585745692,2.183573852627883,4.403067559684943,6.489742665621526,7.835917884787001,8.531646846264612,8.854087278945107,8.974585480332053,3.6171084536134046,0.5117930113734477,0.0036381496398374,14.080838514158351,6.273380763848466,8.348142170667932,1.6997271777164875,0.7385770295121721,1.6184211732320706,0.1410602604260451,1.8670591129205327,0.0643297531780891,6.514090356081763,-0.6720255747482794,-1.4856832087784742,-0.1410602604260451,-1.8005076581566406,-0.0344124291201423,-6.514090356081763,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.909598624789663,8.701478760447783,9.482774129119516,10.249455826743729,10.997074781893607,11.721398720210424,12.418826850097972,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_49,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165733036731425,0.9113525992462684,2.171152949233844,3.962542477901454,5.702033404271034,6.856374008203743,7.461613849889496,7.743944686247607,7.849738149886159,3.3237043076170325,0.7144904822049767,0.0230731398320127,11.226153830083796,5.571057900483488,6.590587589908135,1.7335580657827423,1.981024505383666,4.354851582192259,0.3918408371954491,5.115751202947259,0.1469508348850999,17.741939270827313,-1.9373838665708247,-4.267809797528941,-0.3918408371954491,-5.072110564134419,-0.1273377511517142,-17.741939270827313,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.832024508364912,10.592494494111348,11.32761312507702,12.034724755124778,12.711661570841349,13.356836362175464,13.969280688153953,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_50,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.219486049207888,0.935279454830901,2.232911252670664,4.016862519517977,5.7352786980206005,6.88173317576048,7.485719456164732,7.768185427480036,7.8741488620414195,3.385114130683605,0.730674713268494,0.0231889355846018,11.002356442466318,5.773617527452777,6.526093982232043,1.85066067587567,1.6110638429263642,3.540499643484426,0.3176123857652734,4.151962929048551,0.1217526185117223,14.407566929937287,-1.5650600147263702,-3.4487260637210144,-0.3176123857652734,-4.105959100848558,-0.1005760515239688,-14.407566929937287,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.94856604739656,10.708661991451212,11.436819696735055,12.132640782187533,12.795877534443624,13.426404833029856,14.02427798489514,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_51,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2273630535861854,0.9465723017736328,2.213515745119217,3.951615312631042,5.652091870358678,6.802249694548679,7.412749590809136,7.699265375872473,7.8069070279587,3.333656188748095,0.7436046639248906,0.0242468029666705,10.778309982767318,5.646082511808618,6.255435277948469,1.8148010659573977,2.1839056356584945,4.748030140989379,0.3638152705898844,4.934167163518064,0.2806521610930568,17.78373480959429,-1.3397751867692749,-3.006012740165693,-0.3409208938956695,-4.307533293223887,0.0225473151760057,-17.06256194372652,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1862,9.601793077461709,10.348944244691618,11.077761151222177,11.78420925820345,12.464706676706507,13.116416756292766,13.737353174212592,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_52,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1597781163684178,0.7842686012778219,1.9507332337178844,3.813544084953188,5.792875699546827,7.1657950456090544,7.900137379730557,8.245685664195772,8.375630670961227,3.123613677024541,0.6060964538095983,0.0104886734657399,10.1456480795875,5.175340290544499,5.623624212897358,1.268044949060223,1.57193353459653,3.137127763172871,0.0020774001731321,1.588552735981587,0.6956234275103118,7.901215676445291,1.5511595328652088,3.0914134921150094,-0.0020774001731321,1.5345403314801518,0.6941692473891193,-7.901215676445291,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.160546622262992,7.965141697255027,8.753333451148022,9.521614562847091,10.267408576410237,10.988548422400251,11.683153657477844,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_53,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1055990496325635,0.7132243196848556,2.174007284320913,4.360611797505551,6.434359563482782,7.794107741737133,8.504602755321736,8.835718858465489,8.959757880102098,3.5864681475378344,0.5180037397730536,0.0042101372332713,13.878252275021149,6.173465387506272,8.282976454574602,1.6676170273022404,0.992893865085592,2.068107564630335,0.0847733760544441,1.671080873521145,0.2972736812516939,6.659936846516843,0.1451601045411509,0.2026253423967436,-0.0847733760544441,-0.5330269038944021,0.2379323180135831,-6.659936846516843,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.005296813529832,7.858625338609621,8.709874319536238,9.549093422165026,10.367905924508234,11.159665847867318,11.919444851236346,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_54,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1615757353349042,0.7838534423181223,1.88661784521086,3.6939167100055097,5.664475873206255,7.031810466518083,7.7604411642360995,8.102468681129961,8.23094330254391,3.0148695818627784,0.6090862399170026,0.0105313616175128,9.9622800538687,4.637883459263496,5.758441898500704,1.252498707394863,1.8297483125074927,3.792958650977472,0.1394749846540315,2.9455481897397444,0.5527224028395253,11.938241255618092,0.434998465967178,0.7237390866734886,-0.1394749846540315,-0.6808014112650739,0.4550899135817033,-11.938241255618092,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,6.923694615977725,7.7200158482097985,8.503931241472452,9.271019603235567,10.017961225826692,10.742012693961671,11.440852770993883,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_55,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016699476298652,0.7150240851263593,2.179818187692584,4.361882386030588,6.421862648406809,7.757095180647346,8.448876510477447,8.769845285555142,8.889848910402428,3.5889202804002047,0.5167237658434334,0.0037458663137857,13.868111868481408,6.138100297867989,8.266067949869031,1.6960484756824448,0.7199772666160301,1.5740830415902018,0.1340321289270593,1.7922342980325048,0.069295496526852,6.280528911621338,-0.6203440226545633,-1.3753636521567814,-0.1340321289270593,-1.692601054071038,-0.0245269937220894,-6.280528911621338,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.945745178006763,8.725610999577137,9.495434871208897,10.251537357696057,10.989681803931411,11.705735609697967,12.396111080914991,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_56,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179111224616947,0.9175577489047196,2.1857025842758584,3.962732199773301,5.661121033348198,6.780502203217395,7.366106628824176,7.639077432182639,7.74133753431127,3.333125760139513,0.7191653034098064,0.0231893931581744,11.208622455117103,5.597621905815542,6.581252750899223,1.7504088179133035,1.6867959973182614,3.7115642876411536,0.3370482586275416,4.383182066338595,0.1187286955681103,15.174945159142142,-1.6836865889571555,-3.705357908552387,-0.3370482586275416,-4.380072657977489,-0.1172050854711685,-15.174945159142142,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.846613197455962,10.601306682150817,11.329884028833472,12.03034584900165,12.700956452147244,13.34038814225554,13.94780566946077,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_57,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2212470913491907,0.9403798483518636,2.256757395036018,4.114344753837845,5.931953839370258,7.149303849342715,7.790966764137852,8.091040076724866,8.20360137722077,3.4513563763138904,0.7347742097838439,0.0234717726991072,11.72643244933348,5.895955900191983,7.071437584783614,1.881487603007556,1.4834924326140615,3.253049525030086,0.2855575114825581,3.767952524474527,0.1256540384634579,13.12861239272147,-1.3720826822115193,-3.030792005049576,-0.2855575114825581,-3.656542774071984,-0.0742362195743324,-13.12861239272147,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.933494146026227,10.682945092616464,11.40174993313472,12.089638228459403,12.746368404996597,13.371742190465127,13.9656950213727,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_58,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2280814907457389,0.9479723172521164,2.2187954752528345,3.998214099887307,5.781175551602635,7.0010962547236,7.651469614513725,7.95721206584043,8.072151037755816,3.359627045579741,0.7449685649390557,0.0242833467641804,11.180195061168774,5.693976972472538,6.555626358899389,1.81715225340823,1.98845475435727,4.308804516696507,0.3196703389973118,4.422585659396772,0.281810115556089,16.01879876246089,-1.1202259163737096,-2.5320089506418912,-0.3020657951488842,-3.721599987973272,0.0554001966807069,-15.464255631235424,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1862,9.604980351431555,10.34982484405903,11.075644656985562,11.778777201380336,12.455929128591448,13.104462478877409,13.722513103364497,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_59,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.22868589689824,0.9510661409524568,2.2393561463119505,3.993052378002968,5.678867011956619,6.808374421220777,7.4054806440386,7.685230938422872,7.7902582400666756,3.373639251920889,0.7466051430395297,0.0246093554912117,10.87351586833936,5.714195515518718,6.372184936200418,1.853589433960392,2.1621127503161435,4.685807583691496,0.3621719412767534,5.059488280530171,0.2938439727990454,18.054002577115785,-1.4596066624513917,-3.2839743135129287,-0.3621719412767534,-4.35698219266542,0.0403236139053182,-18.054002577115785,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.66483349490193,10.409367802635453,11.133665546764496,11.834595417598145,12.509203177663482,13.155061482682434,13.770433359129743,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_60,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2217671843034059,0.9394968282795124,2.219090020709717,3.9941087002407207,5.77676106127871,6.999023329187813,7.651027022750321,7.95757682947136,8.072822761644177,3.35716463149428,0.7349242068960339,0.0236390785146115,11.2349604701073,5.614849154707329,6.759793843162899,1.8141478510363325,1.68805465819497,3.70800655075379,0.3311647140550232,4.337372370635157,0.1302671570830905,15.063567572075316,-1.6235924823552623,-3.5794451876783056,-0.3311647140550232,-4.272910194795448,-0.1015481427554254,-15.063567572075316,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,10.01563067612292,10.766841164111977,11.4875578940104,12.176838541854409,12.834177708826273,13.459344228076256,14.052355227270128,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_61,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2181428333205737,0.9170568885000352,2.212783975638569,4.127932414392073,6.018741274331485,7.27892668136975,7.940510505325758,8.249268851536772,8.364985826856646,3.438890780254257,0.7186316856218431,0.0233472739017744,12.217821211801091,6.011672393650328,7.059318001902157,1.7977404269936927,1.843516736477053,4.05504972134692,0.3670475663967028,4.779897267650675,0.1322163931906011,16.55853501031932,-1.8269589274899745,-4.0220228419470505,-0.3670475663967028,-4.763339458663596,-0.1247169032870905,-16.55853501031932,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.840150112315444,10.60534817532588,11.34211445350381,12.048784267244766,12.723967840757773,13.366653018107352,13.976276135303236,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_62,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003192152453621,0.7138051760730275,2.24793174060079,4.65496470669718,6.976353344913856,8.490219655046047,9.276009901962794,9.64083710279613,9.777272149218868,3.79278682944564,0.5140039137483966,0.0036294318427577,15.899258661518926,7.114007495131442,9.22567345692016,1.7951283445507835,0.6882411731476901,1.503548668757963,0.1270059871456663,1.7042890703130205,0.0684158857111565,5.981325608651775,-0.5818186983089733,-1.2912841214957402,-0.1270059871456663,-1.5978665954743037,-0.0204883052908098,-5.981325608651775,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.815332771892216,8.621797199331144,9.416076102424372,10.194010966197052,10.95122612093023,11.6836515012695,12.387876608393878,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_63,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1571159819808242,0.7789803355527545,1.9472616285176456,3.921185867672787,6.054203728447703,7.521669271429347,8.300274746846469,8.66504546482253,8.801951535335947,3.180411654645385,0.6022198827994277,0.0099159882093259,11.54704058235856,5.36058768161588,6.48713755736214,1.3453012231198986,1.92793746497148,4.005465358105751,0.1554021214011328,3.1686853662974226,0.5662264834310072,12.741380716037746,0.3756798723052366,0.5896418080488658,-0.1550493971321157,-0.8684189095763688,0.4573920898098618,-12.730269901563704,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1862,6.907621539804996,7.703773304718369,8.491575476493422,9.265626823380572,10.021561695192943,10.755684240202624,11.464895158043069,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_64,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1022081039149662,0.707224522250004,2.224125992019652,4.5889776876735775,6.851856741640336,8.3252435152905,9.090125289207336,9.44532961791348,9.578183135830177,3.7451691405005896,0.5109026782832162,0.003920929331995,15.595531467559656,6.889676677050053,9.132488043207273,1.7271628924677334,0.9844901987048268,2.065245807030404,0.0982452901636568,1.7704525200140817,0.2685037456886462,6.88735679679727,0.0020372970682579,-0.0966928905717502,-0.0982452901636568,-0.7839250242409972,0.1997320425740865,-6.88735679679727,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.144066258595923,8.005120418700542,8.865725510745227,9.71440666048836,10.541784758812833,11.34063893176516,12.105783902428495,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_65,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.16010700749202,0.7964158627655274,2.0280267063028816,3.87920710588703,5.7191578193403325,6.9567901080111225,7.610784993650127,7.917034163343069,8.03198090211628,3.2121080873750327,0.6118600530392635,0.0106548522449514,10.378474612850248,5.4878741779905855,5.54226048055522,1.4031346289093876,1.6971378747334038,3.430882649466384,0.0447930909100506,2.055450317550509,0.6715125856697112,9.381468174676687,1.2492300259638265,2.4452381370407927,-0.0447884788438648,0.8908737685179567,0.6401567302227478,-9.381322894591836,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1862,7.280688459271818,8.084471493929865,8.874463866517141,9.645540375356063,10.393970461493916,11.116906023031806,11.812158657930285,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_66,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2290097593059452,0.951612230919337,2.2342964108288403,3.969271042524337,5.621674358475229,6.72139363373719,7.300809970427442,7.571867079137151,7.673568001190427,3.358270292725071,0.7473263483558079,0.0246041071322392,10.735705917500422,5.603658131150692,6.363393837879512,1.8412636312010933,1.9519630539088697,4.217962390230191,0.3148420619050153,4.470699549148993,0.2908281317088135,16.056656507644657,-1.1964575651412837,-2.7103008998618625,-0.3148420619050153,-3.715194060381407,0.070438688375303,-16.056656507644657,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.65545120850361,10.392622858709627,11.111286272515832,11.80799887650075,12.479537785826537,13.123250421588804,13.7372138628342,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_67,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2233061442309198,0.942904767581378,2.2274653411315564,3.983003423307117,5.704498985025966,6.87015801111612,7.48881173346347,7.779085941785815,7.888125120471973,3.358623359310809,0.7378715453163336,0.0239380148387676,11.089956031961549,5.500714285329044,6.818989717819441,1.825375768158399,1.4266110830375078,3.131723948876917,0.2779430149816709,3.6501552028908746,0.1137017119013512,12.691915714820958,-1.3528190667792015,-2.9845566261625422,-0.2779430149816709,-3.576363186632568,-0.0808583985858182,-12.691915714820958,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,10.000141200431202,10.738188326013155,11.449029780041204,12.131029696679343,12.78313514899937,13.404683116325186,13.995348513203718,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_68,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2190423388627585,0.9201953810695266,2.1802533600809,3.920986273647491,5.605197940604982,6.7342771936372765,7.330889482660673,7.610315183011195,7.71520381845091,3.303875998760261,0.7214425103410411,0.0234104140233717,10.924675154396455,5.428479628727997,6.482630598317764,1.741776994873667,1.5622718071171546,3.437624635711587,0.3122238929032673,4.060062950343293,0.1098430103905441,14.05583689365112,-1.5599671219155196,-3.433024484049122,-0.3122238929032673,-4.057758265141658,-0.1087137146417428,-14.05583689365112,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.8517978272766,10.60404368137334,11.330478844596168,12.028943351266562,12.697675592848906,13.33536840785293,13.94121435050086,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_69,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1009681340913741,0.7139074695324622,2.207013104690896,4.502546006475359,6.712334082203753,8.155989591995457,8.906180766982745,9.25466134456616,9.385011329473912,3.682150478613986,0.5152119918855627,0.0036829219521974,14.988247798404608,6.5413695184728455,8.867745129742143,1.737578833221635,0.7396372143114139,1.617465291479406,0.1380647962147515,1.8441555840294264,0.0709114557950058,6.4594819958521015,-0.6410107478361017,-1.4207223429202338,-0.1380647962147515,-1.745529117554114,-0.0257339015553202,-6.4594819958521015,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.93598565698155,8.720952180461985,9.495271010341815,10.25524798690447,10.996671522603206,11.715451988409004,12.40805313176366,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_70,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1598286089848847,0.7843212013032,1.9625319239110384,3.9941368829707993,6.20280624412784,7.72210089224394,8.527627270983693,8.90484671566499,9.046397017474073,3.2287160343719554,0.6073162221831123,0.0102630333675033,11.90827845202926,5.501737405952842,6.728830248336374,1.3536802590007426,1.822529225069608,3.785687944979125,0.1463873143437528,2.9936277398196305,0.5365492907614389,12.040392412223095,0.3586560816320793,0.5643589714413847,-0.1463873143437528,-0.8124424331179433,0.434078170720812,-12.040392412223095,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,6.803299598734333,7.606381730551289,8.398882111421834,9.17572722059275,9.93301329753598,10.667515859040147,11.376546574159956,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_71,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.102077592437425,0.702652218504352,2.193838115768344,4.495037929523022,6.672074853840371,8.08110089192899,8.810830959141542,9.149397104457716,9.27598243693501,3.677474550381359,0.5084768766385201,0.0039254368359594,15.014369567572292,6.541752073737481,8.880163086368135,1.6920784908617237,1.0640282535925178,2.2314953563190407,0.1056113537725508,1.9089190837729249,0.2908598367187313,7.432368343413606,0.0079147158670094,-0.0925374013499023,-0.1056113537725508,-0.8369761143133972,0.2169318890779458,-7.432368343413606,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.118719857492754,7.979417905735712,8.840110428474603,9.68926055210028,10.517384588242171,11.317161776256777,12.083327232818316,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_72,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.159643840356856,0.7907756796462633,2.018594728677281,3.875030006395586,5.709629511483379,6.93669853390039,7.583163812200916,7.885471501759812,7.998874028572735,3.2067323335992994,0.6080863502351584,0.0106218071982957,10.317131544252035,5.489016989355309,5.514157532063172,1.3961440475583615,1.7366737611062506,3.519900283431985,0.0467961360290969,2.03465167959378,0.6751724755346484,9.422857089625415,1.323277522061886,2.61020036281043,-0.035883111779776,0.921625873205808,0.6407782266768824,-9.079096825771808,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1862,7.267306844560201,8.07445192990081,8.866302934876025,9.638184782457625,10.386740489567854,11.109403542447104,11.804183779126436,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_73,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.104879005880091,0.7126576064894449,2.179609829691432,4.351786839801949,6.380406550507773,7.699374650677662,8.386078046300884,8.705628843899026,8.8252641812675,3.58718929197258,0.5170125233550424,0.0041312916715014,13.628725366675276,6.188495277735953,8.073892738558053,1.6751796812956492,0.9819076404653656,2.045433384978492,0.0840537073292657,1.6543372990994911,0.2931391830240821,6.590612348912141,0.1413705671727082,0.195787847270188,-0.0840537073292657,-0.5310590914614174,0.2343015878935961,-6.590612348912141,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,6.952737061951691,7.8079367160529,8.662128630756623,9.504936368070975,10.327644774395958,11.123360293038337,11.88698617627674,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_74,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1608901571023595,0.7860438463992608,1.930070057441454,3.701457898953387,5.564521891729625,6.857345407934992,7.549880717138933,7.876048263507458,7.998755064882795,3.0496093354813145,0.6082547047480275,0.0106096838491724,9.386204754291835,4.906417213915967,5.21243188523712,1.2416533043820586,1.6004308154780296,3.1938869799977123,0.0020055237314276,1.6164750053294503,0.7084332138939902,8.0422645520187,1.5803755781637532,3.149754387415308,-0.0020055237314276,1.5643313883123326,0.707029347281991,-8.0422645520187,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.129665302905204,7.9222329459762335,8.700830276191427,9.461522259705552,10.201419385419964,10.91810797905242,11.609499707596855,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_75,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1571256948165719,0.7796624240522412,1.9350663598196869,3.769372269046667,5.675097953365475,6.968329675843881,7.651375419766623,7.970852892641978,8.090686277065096,3.093516791145253,0.60237307248164,0.0099377395954287,10.09826838631328,4.977336333952987,5.570699448158779,1.3012651923237528,1.9277162867109217,3.999067521380832,0.1498788032889157,3.126746713022248,0.5768109914196431,12.636157499332924,0.4289282538217637,0.7009065180305292,-0.1498788032889157,-0.7701021724895628,0.4718958291174021,-12.636157499332924,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,6.9859804480163525,7.763559128698532,8.5359476182214,9.297396109512873,10.04315206909896,10.769140805043529,11.471915703826792,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_76,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1002801921959995,0.7089049622704687,2.183589081786685,4.403064915152601,6.48973127910593,7.835904042730744,8.531632505205817,8.854072863617954,8.974571061370476,3.617111077519314,0.5118140987955245,0.0036383376259255,14.080638009792674,6.273419720498553,8.348039502909652,1.6997573312104883,0.738501014423433,1.6182572666928243,0.1410483558849091,1.8668878615027065,0.0643173707674249,6.513472189815348,-0.6719825444256584,-1.4855851496996615,-0.1410483558849091,-1.800369391504932,-0.0344164783520113,-6.513472189815348,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.909604147099722,8.701481268917009,9.482774447033488,10.249454570477194,10.997072413152155,11.721395584380844,12.418823204714268,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_77,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2165630262338869,0.9113168081235086,2.171106684391548,3.962488739981004,5.701965368158537,6.856294486133633,7.461527980387014,7.74385580560241,7.849648134286816,3.32365422523323,0.7144598303749429,0.0230727870314667,11.225915592548516,5.57088104116534,6.590462084864448,1.733489022765233,1.9808344452081867,4.354429463759305,0.3917990228335516,5.1152266278766,0.1469457264884885,17.74015268271197,-1.9371557831273287,-4.26731176918487,-0.3917990228335516,-5.071547965795742,-0.1273135894949972,-17.74015268271197,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.832019402653138,10.592491449044015,11.32761186522168,12.034725048881686,12.711663213004144,13.356839164949234,13.969284477762658,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_78,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2195014533175168,0.9352324822433846,2.232765038879015,4.0166358191955895,5.735000679685719,6.881426037115622,7.485397807540021,7.767857131803516,7.873818092308562,3.3849110020052344,0.7306463045613405,0.0232010246630092,11.00138171701193,5.772950824909064,6.52571662351134,1.850445518010316,1.6111053117085767,3.5405941947904065,0.3176239099504115,4.152096591311868,0.1217485503650894,14.40800475755111,-1.5651337877955374,-3.448885108101571,-0.3176239099504115,-4.106125067398828,-0.1005881866001983,-14.40800475755111,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.948565065071882,10.7086627167159,11.43682192512454,12.132644332067532,12.795882238162466,13.426410532000256,14.02428452826781,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_79,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2273566136835562,0.9465486147173444,2.2134834590475325,3.951534310130421,5.651947297105173,6.802062284913967,7.412540028116283,7.699045572303758,7.806683402863008,3.3335962143077627,0.74358338649726,0.0242474162438286,10.777752957738173,5.645841319179489,6.2550995319947535,1.8147498056560072,2.1839276328626545,4.748089436586632,0.3638179356297593,4.934091204548614,0.2806415673516803,17.783591385431592,-1.3396946424691425,-3.0058246086393035,-0.3409065194365999,-4.307516667990115,0.0225322999818751,-17.06188177534707,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1862,9.6018080214289,10.348958229674604,11.077774358908307,11.784221858772602,12.4647188046505,13.116428506718728,13.73736460809793,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_80,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1597849678222164,0.7842907963386428,1.9507353371684888,3.813498098878396,5.792793167933112,7.165693952799829,7.900028078822403,8.245572858206156,8.375516602183616,3.123584000927563,0.606116783846581,0.0104889812058901,10.145237411033944,5.175226588575912,5.623369962974966,1.2680356894583604,1.5719267374068115,3.137111650612725,0.002074926356096,1.5885261482555797,0.6956248760388626,7.901132214155977,1.5511774738458513,3.0914518171851264,-0.002074926356096,1.534578062997083,0.6941724275895954,-7.901132214155977,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.160582504550928,7.9651689806952675,8.753354076185088,9.521629973626435,10.26741986535568,10.98855642879504,11.683159035421896,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_81,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1055630627687786,0.7131407964585249,2.1739157685984307,4.360485783063144,6.434173789379089,7.793877232254025,8.504348298352724,8.83545320466232,8.959488031771492,3.5863589663890743,0.5179263170917905,0.0042067970675638,13.877575860001318,6.173040059564275,8.282641939766805,1.6674765434864895,0.9931277773952486,2.0686179661512867,0.0848159800041167,1.671655617428183,0.297297164588484,6.661958487058579,0.1449679773540807,0.202198221851095,-0.0848159800041167,-0.5335598626788535,0.2379259785856023,-6.661958487058579,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.005313334164038,7.858640601356124,8.709888272925117,9.549106047988026,10.36791723659578,11.159675888981786,11.919453687354922,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_82,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1615930731457635,0.7838722441116535,1.886601556640596,3.6938589130078303,5.664384729782263,7.03169864305204,7.7603187333671055,8.102341340213982,8.23081412697178,3.0148253203482835,0.6091083991149262,0.0105343477790992,9.961746988988876,4.637757113550072,5.758075549396976,1.252501496457927,1.829903775962616,3.793284228633846,0.1394900466947967,2.9458241495209907,0.5527633427506203,11.939319813709018,0.4350033090146487,0.723733216290562,-0.1394900466947967,-0.6809170645437252,0.4551203100642627,-11.939319813709018,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,6.923720146221496,7.720035191141724,8.503946088677214,9.27103117642346,10.01797041283578,10.742020141691087,11.44085895076808,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_83,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1016532830839497,0.7149805607985813,2.179752249729104,4.361792951693559,6.421773911458909,7.757016715216218,8.448805833378668,8.769778732123095,8.889783977524008,3.588836304975985,0.5166843859080862,0.0037446782378851,13.867593402958972,6.137787379842647,8.265798687717346,1.695955541527327,0.7199301861371051,1.573969039624888,0.1340126386973948,1.7920312957162643,0.0693107519720599,6.279903704633423,-0.6201962008368435,-1.375048761483409,-0.1340126386973948,-1.6922973104160028,-0.0244980951161163,-6.279903704633423,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.945721128551347,8.725583608739749,9.495405631495156,10.251507274435074,10.989651559840452,11.705705668701516,12.396081755484843,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_84,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179187308112405,0.917567218172846,2.1856884782760364,3.9627087030692887,5.661107533223279,6.780500261944638,7.366111629533833,7.639085818785066,7.741347210096364,3.333102459058205,0.7191772530046819,0.0231900281685717,11.208502892904184,5.597530963063274,6.581171007248551,1.7503692981719572,1.6868771071282955,3.7117406034212697,0.3370623583178767,4.38337597367131,0.1187388300253236,15.175632701999016,-1.683746476050472,-3.705491863789933,-0.3370623583178767,-4.3802453425934855,-0.1172048207971898,-15.175632701999016,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.846671916373214,10.60135748064753,11.329928699725109,12.030385649331311,12.700992284043926,13.340420668649395,13.947835389518504,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_85,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2212245526753444,0.940331520923074,2.2567129565289124,4.114360402145856,5.932042936922949,7.149441701361449,7.79112960561561,8.091214407984168,8.203779984944802,3.451347058734382,0.7347303083750227,0.0234675083606547,11.726630833722394,5.895918630663759,7.071628779117147,1.881438880927672,1.4834420517876783,3.252938186889244,0.2855470149907413,3.767818171713609,0.1256502321437821,13.128150558753216,-1.3720280981197353,-3.030672362429815,-0.2855470149907413,-3.656404218045666,-0.0742326783497365,-13.128150558753216,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.933591777894904,10.68303436827528,11.401830967998675,12.08971137876728,12.746434166893472,13.37180113172593,13.965747735506335,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_86,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2280816396244202,0.9479717177713716,2.21878196737255,3.9981977848597,5.781175046808217,7.00111056485745,7.651492326407651,7.957238785405439,8.072179269889496,3.3596086939520924,0.7449687175947062,0.0242833569777784,11.180092948946266,5.693912115938767,6.555572062184291,1.8171150916076475,1.9884025330710493,4.308689168994922,0.3196598277785989,4.422452843379673,0.2818072675683229,16.01833641884679,-1.1201755219148206,-2.5318984870603427,-0.3020557832185749,-3.721464255543672,0.0554047814393002,-15.463809015206037,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1862,9.605010284610044,10.349851435756438,11.075668049802156,11.778797684856467,12.45594703106731,13.10447812036852,13.722526776902937,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_87,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2287228910295792,0.9510947144084456,2.2393642855174,3.993047360322703,5.678847779056575,6.8083436454313855,7.405443249757159,7.685190341613639,7.790216425714757,3.3736386090194808,0.7466381970935047,0.0246234069346652,10.87337903695818,5.714236296870082,6.372131053067219,1.8536265227885045,2.1622057047225405,4.686001033078576,0.3621797389009257,5.0596436159299465,0.2938714352786825,18.054623301631217,-1.4595916842867167,-3.2839524549005232,-0.3621797389009257,-4.357029595494123,0.0403456180480347,-18.054623301631217,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.66481676835732,10.409351690886645,11.133649552778902,11.834579298572091,12.509186852518733,13.155044966044578,13.77041671675241,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_88,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.221753267077396,0.9394882300423276,2.219115803254485,3.994146585376488,5.776786400150503,6.999036001915817,7.651032563254828,7.957578992936438,8.072823655240981,3.357202666619472,0.734911268176121,0.0236348753343229,11.235019726219456,5.614945104546347,6.759712290531232,1.814197547593691,1.688082342930272,3.7080644452831546,0.3311673081583463,4.3374208081970425,0.1302748018751789,15.063757877818286,-1.6235907386531916,-3.5794443777414986,-0.3311673081583463,-4.272929203919962,-0.1015423138356632,-15.063757877818286,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,10.015635454208269,10.766844836372668,11.48756057545331,12.176840347383813,12.834178754519792,13.45934462676065,14.052355084234703,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_89,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2180755445143961,0.9169864775584868,2.212745636068065,4.12793165927887,6.018764700710529,7.278961507393589,7.940550212469577,8.249310616473249,8.365028329553626,3.4388783013722897,0.7185574388646199,0.0233247851912604,12.21797462456496,6.011530699966072,7.059459431121519,1.7976199734381126,1.8435511002885927,4.05512608915361,0.367055173812703,4.779992490790216,0.1322171761956044,16.55885897769702,-1.827000637838437,-4.0221138792853015,-0.367055173812703,-4.7634420283400605,-0.1247214454732873,-16.55885897769702,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,9.840133151828764,10.60533186078338,11.342098622590992,12.04876882784024,12.723952750409326,13.36663826644555,13.976261730559676,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_90,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1003244693195425,0.7138028447792842,2.247911704420685,4.65494354442422,6.976337929929847,8.490208010680668,9.276000012900932,9.64082797274216,9.777263293581896,3.7927644093833415,0.5140053432398313,0.0036301871042509,15.89924229285138,7.113892254692273,9.225713624903795,1.79509050287649,0.6881094424454371,1.5032536552516325,0.1269746582268984,1.703906708260624,0.068416117678068,5.980040376765153,-0.5816371398235468,-1.2908897258535448,-0.1269746582268984,-1.597434405638734,-0.0204661430807607,-5.980040376765153,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.815277649219061,8.621749388962488,9.41603390065588,10.19397310355551,10.951191668749614,11.68361978653375,12.387847144393843,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_91,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1571290929944372,0.7789852899517897,1.9472341786267424,3.921147665629288,6.054175351316822,7.521649795133906,8.30025987826196,8.665032675666106,8.801939510861027,3.180373311206014,0.6022295513260975,0.0099189343481153,11.546844606074812,5.360514582346826,6.48700035615529,1.345288644339968,1.927931604097292,4.005443503575792,0.1553873814728965,3.168514197264684,0.5662452421626327,12.740934756360954,0.3758552598081687,0.5900187999976747,-0.155027887384928,-0.8681425271949248,0.45742015101841,-12.729610692589944,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1862,6.907542541481387,7.70370133023733,8.49150839853169,9.26556324214085,10.021500738643624,10.755625400244403,11.464838164265158,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_92,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1022255764873951,0.707269348550959,2.2241737450209778,4.589011757842769,6.851877801787298,8.32525674723695,9.09013455283166,9.44533704632514,9.5781898780389,3.745208381853659,0.5109431819475997,0.0039224999981739,15.595585363838309,6.889821174167547,9.132454811066344,1.727237874987256,0.9844679389087996,2.0652011799016696,0.0982450417753479,1.7704282731115837,0.2684949272520845,6.887240530050957,0.00201752115532,-0.0967320517865859,-0.0982450417753479,-0.7839428130474638,0.199723398009341,-6.887240530050957,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1862,7.144038548931103,8.005095708467602,8.86570321501102,9.714386348768327,10.541766114582844,11.340621719005266,12.105767940984723,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_93,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.160105987739145,0.7964207076829918,2.0280489655924723,3.879249033833068,5.719201920869063,6.9568281145068696,7.610817895065436,7.91706428951699,8.03200992769755,3.2121450364477355,0.6118630687986791,0.0106539342210469,10.37869124521762,5.487982214104364,5.542372520986241,1.4031607411253697,1.6971033585892847,3.4308058406862822,0.0447858834488753,2.05536334578741,0.671511754680589,9.38116482662796,1.249263867238301,2.4453117523148915,-0.0447820148213214,0.890967128078413,0.6401610559722432,-9.38104296486001,19.0,42.927345,2.0,2.0,0.8900000000000001,63.0,-5.0,-11.00276,-1.0,-13.0,-0.9999999999999998,-45.0,RSM1862,7.280672006863754,8.084450000148923,8.874438183059475,9.645511265610214,10.393938629302898,11.116872114219944,11.8121232537652,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_94,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.142619468310006,0.8122603272031476,2.139000188027962,3.989363898620705,5.731692122924928,6.87006594028861,7.463166548841511,7.739129892463027,7.842433664139763,3.3374049691074665,0.6111914788520273,0.0070832055985849,11.621301441240872,5.406802361524627,6.9124725590435805,1.6330829500321975,1.6190523088323765,3.365881514706101,0.1214638789178221,2.493245140530663,0.4973616661247247,9.15237093391471,-0.8360242533574488,-1.7675638333567427,-0.1064610789725468,-1.8452422845632144,-0.238160523737745,-3.204641661537293,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1862,8.524716134210639,9.365577354331096,10.18251297435896,10.973674418871376,11.73646083466342,12.46816876555922,13.166485870849865,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_95,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1414487211588489,0.8093690393298073,2.1381374549140943,4.059164863295249,5.949084358505882,7.214337176319084,7.880709702054455,8.192194011459787,8.309011372133147,3.3709796417484528,0.6087300914697955,0.0069321207667212,12.100214766136926,5.494763321558154,7.274331726717586,1.6353439317476255,2.1728727483596213,4.637737001435704,0.1837647169574042,2.644038678113467,0.5337943751048826,11.088319532601906,-0.239732330767127,-0.3965343789461811,-0.0300798237411906,-2.094062299466895,-0.313803823646254,-0.2153439885747473,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1862,8.57641623034754,9.429846209359711,10.25741946176141,11.057175661175402,11.826557553362882,12.563013023901298,13.264442934725356,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_96,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1415273050758739,0.8096641857503819,2.143866334162108,4.09076498937238,6.012964865869503,7.300170340086036,7.977981636617202,8.294772492346329,8.413572928871208,3.391814056859828,0.6089681223980414,0.0069317891983014,12.35273150832491,5.579033037650196,7.437293939878903,1.642929577040134,2.1449278826848874,4.579274753590612,0.1751998428705579,2.49403176213493,0.5312142998778238,10.77645383183749,-0.1281494519645343,-0.1505547510185245,-0.0132775561760316,-1.9345539116653128,-0.3074231596899771,0.4399686176258262,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1862,8.545841750329846,9.40069228263846,10.228471844832304,11.027642258548124,11.796013064713588,12.53131056532994,13.231625615748086,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_97,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1426636265458983,0.8125045934510483,2.1536548301615284,4.075305131123495,5.915262412830438,7.125015820110376,7.756791771425294,8.05102652366711,8.161210826657749,3.3928892726989086,0.6112930303673643,0.0070909628547265,12.173420064040458,5.651265474815636,7.15780370287596,1.660226839265454,1.691512432094744,3.52479818691449,0.1369778886373681,2.7036027631658857,0.5016042121346819,9.692080405417872,-0.9199486244340348,-1.9546939332892748,-0.1240959227869368,-2.047976648159058,-0.239353766131951,-4.02900262658846,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1862,8.536312002447442,9.381149276007006,10.20159052046962,10.99570516586142,11.760867599914796,12.494392960397391,13.194015620351804,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_98,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1426212842817751,0.8122688606353156,2.13899430465172,3.9893114762059385,5.731599534135868,6.869952313675315,7.463043607957191,7.739002985807174,7.8423053314774815,3.337369408323421,0.6111986674731825,0.0070834149715346,11.620872286767291,5.406656955721599,6.912263208913118,1.6330750472494258,1.6190300170774097,3.365833001902204,0.1214573969405511,2.4931479387118256,0.4973612618713477,9.152157413893338,-0.8359629721345262,-1.767428647950267,-0.1064510501882444,-1.8451380145397025,-0.2381572922024985,-3.204230092119101,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1862,8.52482884039268,9.36570053696834,10.182641988124072,10.973805830121291,11.73659217372524,12.46829829748165,13.166612407947328,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_99,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1414647862207425,0.8094072855745226,2.138140453134846,4.059097257692759,5.948954843900044,7.214169845314088,7.880523377694899,8.191999001022658,8.308813133852723,3.3709365675511496,0.6087668616054368,0.0069335847442289,12.09962479459052,5.494614950373264,7.273991524635378,1.6353349136759696,2.172876025191897,4.637738713113408,0.1837686722356356,2.644151463612729,0.5337966149843109,11.088501253796666,-0.2398337869902179,-0.3967620571525399,-0.0300957584719044,-2.094165449284631,-0.3138022092530713,-0.216006046145432,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1862,8.576350212593168,9.429783625425454,10.257361077905513,11.05712174421545,11.82650807965953,12.56296780569664,13.264401697647418,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_100,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1415495541050508,0.8097069693034413,2.14388258715592,4.090747914519503,6.0129266903158936,7.300121437779692,7.9779278402061,8.294716559080625,8.41351621724907,3.391807045010524,0.6090105953162444,0.0069342356390995,12.352348241150557,5.579077728312251,7.43700279735765,1.6429919652917293,2.1446268162729085,4.578594640996325,0.1751562184872772,2.493685436247528,0.531194597953633,10.77500290574535,-0.1282610385357869,-0.1508152193965204,-0.013280660345185,-1.934199681789235,-0.307400296170316,0.4400989801553935,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1862,8.545977061950591,9.400822486633627,10.228595351756235,11.027758375200245,11.796121634466536,12.531411745810113,13.231719740858091,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_101,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1426626574764511,0.8125008752039503,2.153666939469189,4.075333152652227,5.915288163119277,7.125035210095109,7.756806967526456,8.051039619071544,8.161223114770404,3.392914330136965,0.6112893248012332,0.0070908493051686,12.173616643964843,5.65133541561452,7.157943369089909,1.6602417126540163,1.6915311339348396,3.524838447856068,0.1369827885480602,2.703678829804356,0.5016049237150807,9.69225225801524,-0.9199847150322134,-1.954775919221337,-0.1241036173919116,-2.0480449513070664,-0.239351372316165,-4.029373372070082,18.0,40.931345,2.0,1.0,0.3999999999999999,68.0,-6.0,-12.99876,-1.0,-14.0,-1.49,-40.0,RSM1862,8.53628104247621,9.381123473456626,10.2015685824271,10.995686154571397,11.760850840457117,12.494377967044429,13.194002041646025,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_102,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0542445992440847,0.3378170026339616,1.2061739675545076,2.775181609880358,4.372532566967173,5.442005851805703,6.004447320515261,6.267162787246961,6.365661410364083,2.1990588246119613,0.2423006674929509,0.0029928304493771,7.905575099133063,2.079375215145853,5.076603054516479,0.2980419424350552,4.646661737036952,10.182207730628848,0.5722832747680066,6.597214842900843,0.7740344967967103,21.919452139044683,-0.9240681896400568,-1.6555754587830591,-0.1343310927213129,-6.597214842900843,-0.7740344967967103,-2.8120507230815024,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.366136742120425,16.255214063573547,17.036131378126782,17.7246281668803,18.333801498098925,18.874558678053365,19.356035293972464,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_103,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0631128222461515,0.3696316356544702,1.376654924759921,3.3624593413157826,5.42303251394441,6.794171653659154,7.510718932120803,7.844278590243241,7.9691503634505185,2.622576195453428,0.266276811612977,0.0040334961976319,9.940060603142504,3.2536598374555976,5.866671199969407,0.470521555056844,5.967465093202431,13.090345978602407,0.7157228050178683,8.05017343044079,1.020740338803918,28.01578841455986,-0.8064434474209321,-1.2689818784611449,-0.1085437878671038,-8.05017343044079,-1.020740338803918,-0.8335423364141709,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.10496633315258,15.91763274090838,16.636634578715945,17.2774972252992,17.851987172052088,18.36924378674996,18.83655796531048,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_104,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.078057625885031,0.3930151173107463,1.262044913259027,2.923939114218359,4.699585193571242,5.903154536940161,6.537010783393585,6.8329943877646455,6.943933873619189,2.2993788287466685,0.2928697151246374,0.0061309313663114,8.864577203905315,2.4936349136776648,5.472462318534999,0.2925972123783128,5.0933745460546405,10.98105953344532,0.6517314961285616,9.086818897588095,0.9462550867764784,24.856668921525685,-3.3644637546033365,-7.020974619034061,-0.4483302265460552,-9.086818897588095,-0.9462550867764784,-13.6454913720859,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,16.24155283247425,16.859726004509433,17.407983167358175,17.899537928813743,18.344165651385897,18.74918517981937,19.12014873406817,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_105,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0699807517439339,0.377815384161411,1.4323482173247246,3.694223634380661,6.115086337061723,7.736407524720114,8.584156624497576,8.97868312430597,9.12634806455388,2.8374515882100297,0.2758555878535943,0.0049702330168202,12.271839339428508,4.016351404568142,7.190703180292467,0.6457357967449688,5.244064633167652,11.511650749660197,0.5869549744782562,6.322808533421138,0.9429629929888244,24.41187521805197,-0.1201287811065199,0.2247680236445621,0.0158610081171708,-6.322808533421138,-0.9429629929888244,4.423586395413978,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.165052080910662,15.9057273123839,16.56876237723962,17.165531388815904,17.705175554111943,18.195069198073856,18.641217655448248,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_106,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0680332748983163,0.3729364189844587,1.3128022419955834,3.1778850049382714,5.183276451457549,6.550256874482547,7.272990084418248,7.61115925903861,7.738023343818349,2.4751208524719224,0.2726253868470107,0.004696428393771,9.141829463516997,2.897460157012125,5.501365917787821,0.4382307899560215,6.171588237614122,13.566741630011562,0.7447608626071934,8.168969863639857,1.0322485794309948,28.877588550654707,-0.560589098269053,-0.7147002428196084,-0.0846433168018911,-8.168969863639857,-1.0322485794309948,-0.1515577286632603,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,14.658939883942487,15.47106935504256,16.196973187479472,16.848529800321575,17.43559132011023,17.966311976734247,18.447475272227443,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_107,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0519314996797745,0.3493708356283732,1.3644049581786954,3.309352416188285,5.275789600052473,6.564170792739945,7.232151980767669,7.541962910707646,7.657764766781827,2.591958120749203,0.2460526020451086,0.002689696899113,9.78292849621393,2.9829927936103893,6.157801813132355,0.6093007342091787,6.870058684355636,15.510743988541591,0.780780516208578,5.003393559185764,0.93084861911643,30.293838794358933,4.623229426665567,10.814730460739304,0.5713710262645046,-5.003393559185764,-0.93084861911643,22.96450664631636,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.236022072577208,16.154320591350622,16.960337897683868,17.670130204368835,18.297137267348287,18.852641301981585,19.34616693939512,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_108,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0693846030183944,0.366731312756214,1.2581950912058102,3.1769270577373203,5.336808477694209,6.827055229850851,7.616857684996629,7.986555514262855,8.125253906226073,2.437367615836048,0.2714534686898499,0.0048778161135252,9.593171770308263,2.6958954927941505,6.007982880099898,0.4277904694459518,4.441359371538321,9.842009884283977,0.4542685626825226,3.908917516994713,0.7890769991576316,20.123501679689703,1.461310299467048,3.6781053434539537,0.240163163318109,-3.908917516994713,-0.7890769991576316,12.629812701935236,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.05154221580628,15.834482846704724,16.530573028398937,17.15317558134357,17.712950875750217,18.218443609522872,18.67657302426491,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_109,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0714478918815975,0.36439883708567,1.2244565339710107,2.998012481785116,4.960929028371558,6.312362917215768,7.029005904703623,7.364644986259286,7.490601086875563,2.320873293267184,0.2710119899658189,0.0052284885149011,8.655848570146368,2.512675953505952,5.264195432083719,0.3616099710692197,5.075767467714216,11.261379930420008,0.5833313700525818,5.405909110307843,0.8164979420742541,23.210582679657563,1.0676207325407392,2.8101031417515574,0.1394201829185893,-5.405909110307843,-0.8164979420742541,7.673691129967821,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,16.30295597050878,16.933008264859545,17.496050470254545,18.003429201084533,18.463617902687307,18.88307033593392,19.266813822644075,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_110,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0713981075028877,0.3625416690468675,1.3017229066179468,3.33100483488716,5.574846583792262,7.114310681644239,7.929333390537818,8.310790432498214,8.453902347440433,2.554795432786852,0.2687243813490385,0.0052445359811249,10.441238821888856,3.108205862537767,6.28958743960125,0.4696584471060442,4.922187471714604,10.979579578155104,0.5235199577323323,4.078429289992217,0.8051717604609797,22.0949784367825,2.206362806691877,5.348425636875553,0.315133016197842,-4.078429289992217,-0.8051717604609797,14.801435483075345,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.959672980064669,16.61297788633086,17.198782153274472,17.72759936934445,18.20759973154257,18.6451954494343,19.04549206604596,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_111,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0640550484342132,0.376356932310566,1.272195310592085,2.785199714179366,4.294505254664727,5.302544925799237,5.832860691652424,6.08066882032316,6.173597168688217,2.2363405049703258,0.2721543595572204,0.00410342919141,7.275346872360781,2.411352242214656,4.362194725713483,0.2983050563157918,6.772092126951443,14.988332707284089,0.8317394154145972,8.380477074482528,1.047531523146314,31.33769544686437,0.3757425720782886,1.3838436376688872,0.0091823138830182,-8.380477074482528,-1.047531523146314,2.548196893259106,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,14.652174652212969,15.47517980854192,16.21670965284817,16.885399536268228,17.48914618196528,18.0350176669902,18.52927800965866,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_112,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0511745297413154,0.3546955834197742,1.4243288284188,3.4545985478916967,5.490669367350867,6.823161297000965,7.514451624810339,7.835250612937584,7.955193020441716,2.708833385437127,0.2475364694308046,0.0026140015586861,10.383094377202502,3.368354421448112,6.405602180384603,0.6898693123531494,6.938227503908327,15.661327369484376,0.7894658079590566,5.095270391934547,0.9414073095515748,30.611795731718527,4.619907561590501,10.812679582133896,0.5703147879819822,-5.095270391934547,-0.9414073095515748,22.94151003252092,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.44780705385661,16.338811511736477,17.121944327069308,17.812476196133392,18.42319444750704,18.964850341723235,19.44653964362128,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_113,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0713459578820445,0.3707429843165462,1.2763620014065618,3.141475252697854,5.20313067647673,6.622746237077869,7.375671404815842,7.72833139927049,7.8606792934116,2.430006483670112,0.2739041586715405,0.0052106627733977,9.332543352529113,2.8367111122962028,5.633595811753576,0.4146827144466905,5.074336570926025,11.227202734186744,0.5836117596421272,5.66185272489045,0.8354820786710209,23.33099389304384,0.7076154869018145,2.01640777091783,0.0966178942199716,-5.66185272489045,-0.8354820786710209,6.286208603268389,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.93492950320497,16.610357453778004,17.211222763036552,17.750402635811884,18.23754761973471,18.680022706233945,19.08356660728668,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_114,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0688020295878904,0.3679148114314856,1.3038250306192622,3.3398692606296634,5.6135071814003865,7.171417648760532,7.994040640099215,8.378443049246238,8.522554472781511,2.556520959081308,0.2710780328295583,0.0047992919348536,10.588367657354649,3.080922069984507,6.5311382515191605,0.4719299837483171,4.5303887780891525,10.04355336950537,0.4682193339203784,4.032023277318195,0.7963556022825974,20.52988380437877,1.4821147991006596,3.728137357166642,0.2391340281019524,-4.032023277318195,-0.7963556022825974,12.511898100733855,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.396588593378151,16.14990883888379,16.818632298482374,17.416532933999584,17.954262552659205,18.44016756070484,18.880900881370035,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_115,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0704781171768456,0.3772775357976271,1.3783384735145296,3.4500586052120243,5.689026953206075,7.213130478693003,8.01792501888819,8.394242466712724,8.535376963766304,2.6661174711415123,0.2761654652075281,0.0050511010536086,10.539504478440437,3.419432680573727,6.31822985019021,0.5979729137824548,4.38766401993595,9.68269894656285,0.466569725189068,4.478062572666236,0.7855607310625847,20.11724047528861,0.7720615825055812,2.1356965552537326,0.1404568162746414,-4.478062572666236,-0.7855607310625847,8.703288663283692,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,14.868472212599,15.650708427137037,16.346627269062246,16.969881057459208,17.531203978398697,18.03910222278072,18.50039928964908,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_116,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0694926845507971,0.3714455509520569,1.251386146081671,2.9645032538892817,4.806061633501827,6.062542400749764,6.72715916793438,7.038196987559603,7.154892111072271,2.3195692310223888,0.2737052866751314,0.0048965795711549,7.940785993072972,2.3870117269240563,4.93412787446646,0.3921107663333651,5.693897512017707,12.51655275399752,0.678562079638184,7.397878328102094,0.9627432870485516,26.607229649577995,-0.4175000989045052,-0.430919474695561,-0.0578094428013367,-7.397878328102094,-0.9627432870485516,0.8342263641947641,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.260209006425567,15.998226644663262,16.66043743687579,17.257117504186443,17.796796684928065,18.286526552186626,18.732163084773457,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_117,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0543900828958029,0.3363677242476221,1.212058762950749,2.852860414865375,4.567831227277198,5.728785326900117,6.34176570316702,6.628510618520739,6.736078272627244,2.2435292747480893,0.241490547463763,0.003016646890893,8.314461530108938,2.1900592243579817,5.323963661692822,0.3061817651403138,5.044160687704048,11.065166858040472,0.6221324383999115,7.080274027823959,0.8327287226966619,23.750330354980548,-0.8778202843415922,-1.5221286277059147,-0.1319747438866813,-7.080274027823959,-0.8327287226966619,-2.643421025050196,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.227377948193492,16.143524140586674,16.945946318286932,17.651570800808624,18.274433114772304,18.82617291584056,19.316495480351776,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_118,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0634793698427565,0.3817455857965399,1.314028557101913,2.9412237970735253,4.609844584494399,5.735991941317003,6.330221988799311,6.608139952690968,6.712388484256322,2.343882364549784,0.2747224443785119,0.0039974184719991,8.081190770667071,2.705351964417981,4.837615883665736,0.384610975489671,7.795147241518469,17.36438864556326,0.946696513092731,8.570117092450218,1.148435896251331,35.576435080687304,1.8362059513791733,4.696307992546026,0.1864038625422858,-8.570117092450218,-1.148435896251331,8.966192311421725,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,14.697068864873044,15.52652641028646,16.271947217653356,16.942788152525537,17.547484576038844,18.09346276201789,18.587230476669205,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_119,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0721348811866079,0.370420453978288,1.3420401662380523,3.4963764923480625,5.894677975340443,7.536003951978225,8.402701312697378,8.807766906628553,8.959639752681522,2.6680965671954184,0.2740897730241772,0.0053166155388677,11.575562441112236,3.4703986777518554,7.0553565446970525,0.5782398258977652,5.405881719894906,11.945874341628906,0.5924367957658491,5.6738812384198525,0.9361472240575353,24.793661175673616,0.9287359808743746,2.563621532545877,0.1528123455011253,-5.6738812384198525,-0.9361472240575353,9.406805416408286,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.44960669217785,16.17185188776021,16.81382567261269,17.38877642591776,17.906988147001847,18.37651088568242,18.803720817400155,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_120,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0776782608276766,0.3705558385770077,1.192843088350487,2.8521509490213104,4.655580979338386,5.883276424364416,6.530718792342348,6.8332003275335085,6.946597561303761,2.222717499119769,0.2791321512059726,0.0062024154937681,8.78052909562207,2.289469160933048,5.444472874133621,0.2118031046117078,4.778313297895186,10.307769030922993,0.5995815137340358,8.283447925305301,0.8984380677558239,23.24580774824484,-2.9486635310737785,-6.116940634182312,-0.3843285999903409,-8.283447925305301,-0.8984380677558239,-11.191046232108349,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,16.1209784802396,16.754101366069754,17.31383495379541,17.814451799728015,18.266421922430624,18.677532557399605,19.053658342552964,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_121,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637601513301498,0.3920616660950448,1.4376441810723684,3.460686209400408,5.575034610736124,6.992508900579374,7.736206091683993,8.083028620401327,8.212962756750866,2.706218720091244,0.2807304268070354,0.0039835310664786,10.354536200914591,3.4766214120962493,6.118474026121434,0.5147679422854089,5.879510345704465,12.892912000252313,0.6972409092941755,7.838242706471303,1.0179321454976604,27.587954271729043,-0.7523175514568313,-1.149033173089568,-0.0940417570297478,-7.838242706471303,-1.0179321454976604,-0.1069390496082719,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.843386512973892,16.57799692683232,17.229036758416107,17.810981945945105,18.33438021136996,18.80720872651031,19.23573377750806,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_122,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.200039129589735,0.5762020183076787,1.5305415166002454,3.47689598888792,5.563074822349884,6.96572918171624,7.70082583873133,8.04330530281962,8.171550695830044,2.740589547886456,0.468698800465013,0.0403365825035953,9.18011556314078,3.945936840307814,5.001418335310743,0.7145453293886689,10.008071583754807,22.642534561192026,1.2229950393752675,8.311326748673677,1.239627930362667,44.3000053437324,6.256260712196494,14.611057287871668,0.6904558189719444,-8.311326748673677,-1.239627930362667,25.66113262961609,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,17.29754085403056,18.226835030541537,18.993457626301115,19.63059817380061,20.16419246416688,20.614445157922056,20.99713213905592,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_123,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2024809369699367,0.5749820326253409,1.4852014281024764,3.336443030524645,5.334122899099232,6.680817612361576,7.387060922769291,7.71614992739628,7.839385950069706,2.634250205106376,0.4697557749950771,0.0413413454335504,8.324520088112845,3.657927657673024,4.491818010215437,0.6728048681724746,10.27153976900753,23.24872989217924,1.2531335037724654,8.414853781936511,1.268194190834658,45.41682183641228,6.560945088764355,15.306220245741644,0.7271588324359916,-8.414853781936511,-1.268194190834658,27.0077083396357,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,17.541408538378736,18.445276602709534,19.189575063970533,19.807243349694662,20.32386977394168,20.759312792709228,21.129036976443302,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_124,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0542458954867053,0.3378195219412398,1.2061758430090823,2.7751811834506777,4.372521820016661,5.441984011246072,6.004418540743431,6.267130535832593,6.36562782175711,2.199060030583344,0.2423031741620654,0.0029929745129503,7.905431232215868,2.0793400459913207,5.076546107721907,0.2980553840831478,4.646732669595367,10.182364730473102,0.5722910763544784,6.597287657549784,0.7740464307747269,21.919776536536126,-0.9240533705133694,-1.6555360436611792,-0.1343288058742434,-6.597287657549784,-0.7740464307747269,-2.811919341469138,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.365805337996363,16.254935772336612,17.035895994469758,17.72442759544978,18.333629331760825,18.87440983729134,19.355905736168225,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_125,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.063136367666432,0.3696799053617103,1.3766827794466328,3.3624375746276733,5.422976073033331,6.794098450991693,7.510638352149615,7.844194838341475,7.969065462914178,2.6225708272956965,0.2663225107069044,0.004036524063097,9.939795478757128,3.2536071683280663,5.866523492394776,0.470536929029039,5.967564255960308,13.090573833065497,0.7157365883071778,8.050254687416652,1.0207484218665432,28.016220142301,-0.806361033042113,-1.268793828943881,-0.1085362091403314,-8.050254687416652,-1.0207484218665432,-0.8333277683618258,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.105398683187998,15.918035837066816,16.637010546384687,17.277848336805427,17.85231559018066,18.369551474587404,18.83684667154189,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_126,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0780573996166611,0.3930140108001745,1.2620484938434806,2.9239565232890983,4.699619740399938,5.90320087737729,6.5370632719701565,6.833049724184049,6.943990273236518,2.299390601561175,0.2928685517919509,0.0061309305978958,8.864623445785616,2.493656576593079,5.472459640792231,0.2925967850803366,5.093565884000573,10.981519282184076,0.6517509722231115,9.086697292585889,0.9462664872828712,24.85739123540308,-3.363991027634506,-7.019913321421472,-0.4482715773565155,-9.086697292585889,-0.9462664872828712,-13.64339799988387,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,16.240033439406954,16.858407452706214,17.406826465368354,17.898513364021767,18.343250334316767,18.748361282382096,19.119402213874327,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_127,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0699913635989548,0.3778466132668736,1.4323929827287278,3.69423225211873,6.115039694083936,7.736323413206408,8.584053424245074,8.978571199957395,9.12623290318692,2.837477522382973,0.2758816070700543,0.0049716810758679,12.271483337983636,4.016418409602239,7.190444087434216,0.645824887460407,5.244276901848422,11.512120466478574,0.5869795101530495,6.323046879195763,0.9429977960371076,24.41285145730358,-0.120099921355928,0.224850613554903,0.015864840493126,-6.323046879195763,-0.9429977960371076,4.42383801920626,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.163653878746896,15.90450613552704,16.567683231452648,17.164567876337788,17.704307543367076,18.19428116795798,18.640497501190183,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_128,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0680311219106358,0.3729218243775248,1.3127558530570782,3.177810454240975,5.1831811559308445,6.550147861481154,7.272873676762099,7.61103934497135,7.737902106190185,2.475054799090312,0.2726154449315197,0.004696174315158,9.141498053133784,2.897283628919725,5.5011984746135765,0.4381715834438102,6.171274098361545,13.566023689704329,0.744718936261166,8.168709540481771,1.032218618600346,28.87621246782317,-0.5608263637386504,-0.7152452997316747,-0.0846662615996489,-8.168709540481771,-1.032218618600346,-0.1522694573053531,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,14.659235761298504,15.47134109642018,16.19722561592526,16.848766329126626,17.435814385524388,17.966523331993532,18.447676194274173,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_129,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.051931967400741,0.3493807773084629,1.364416696591358,3.309318170167974,5.275697762080526,6.564041236831021,7.232003248960312,7.541805393019578,7.657603983551848,2.5919434847213982,0.2460592858493362,0.0026896978585238,9.782549316309234,2.9829217804901544,6.157577066974469,0.6093249274424473,6.870275798411813,15.511228852110571,0.780811492066024,5.00369763564089,0.9308743441490508,30.294843942409504,4.623240175595266,10.81476751928301,0.5713668578171617,-5.00369763564089,-0.9308743441490508,22.96428174369932,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.236871258605598,16.15505731834505,16.960981240186232,17.670695657459095,18.297637373392497,18.85308622856923,19.346564963430144,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_130,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0694179560844278,0.3667903015894489,1.2582327482776088,3.1769284273097336,5.336793448217359,6.827037977894179,7.616841449318613,7.986540200707451,8.12523900708356,2.437379789960059,0.2715110234497831,0.0048826093669396,9.5931852643639,2.695863989528969,6.0079892069293175,0.4277692220995537,4.441114693630375,9.841447709031916,0.4542366579316899,3.908751031967993,0.7890544506549109,20.122445005593924,1.4610826169504865,3.677585573124725,0.2401394962542937,-3.908751031967993,-0.7890544506549109,12.629044346885058,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.051174431953228,15.834153147336355,16.53027579556038,17.152906256480495,17.71270572410519,18.218219544191868,18.676367472027287,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_131,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0714661776972008,0.3644405603023997,1.2245136700211647,2.9980696704935266,4.960981225010366,6.3124122315234,7.029054012552733,7.364692607832041,7.490648538790615,2.320931776936308,0.2710490423909198,0.0052311460421632,8.656021235529447,2.5127885070488944,5.264282533521162,0.3616317225342301,5.075677748797455,11.261172903979594,0.5833180994098113,5.405829534599717,0.8164920312898387,23.21019223924916,1.0675456812938682,2.809932760726781,0.1394140688362267,-5.405829534599717,-0.8164920312898387,7.673551169173703,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,16.302863143070276,16.932933872718557,17.495990247431003,18.003380054615583,18.463577537685484,18.883037014117832,19.266786203646163,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_132,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0714335045932032,0.3626173203660052,1.3018099734271498,3.3310779873334893,5.574903408183156,7.114357677793767,7.929375647545,8.310830578345485,8.453941718502271,2.554874553173209,0.2687932510895433,0.0052497053676204,10.441529986981172,3.1083067920156013,6.289741585665075,0.4696658793191555,4.922058083399203,10.979281542543347,0.5235094704028629,4.078451568516964,0.8051527407175937,22.094449277943447,2.206158477249749,5.347959289117271,0.3151042426146607,-4.078451568516964,-0.8051527407175937,14.80026630535636,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.960654579799424,16.613815463332603,17.19950453521913,17.728228266111287,18.20815178932268,18.645683635088595,19.0459266228796,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_133,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0640562118177428,0.3763835872401623,1.2722754228240016,2.785312340933409,4.294636294819956,5.302687681330588,5.833009820434433,6.0808209941454265,6.1737504960219685,2.2364445967208777,0.2721713024592024,0.0041034500536353,7.275675199181258,2.4115452931425474,4.362370809933924,0.2983734706985548,6.772168127771452,14.988503364312628,0.8317530032405113,8.380620829877364,1.047536683575371,31.338054976948165,0.3757245809709663,1.383805852382043,0.0091755507291848,-8.380620829877364,-1.047536683575371,2.5478441390517443,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,14.65209736533428,15.475117637764528,16.21665938231245,16.885358702790022,17.489112883271968,18.034990421516348,18.52925565425344,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_134,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0512096244919231,0.3547736622262202,1.424400671975354,3.4546482610728715,5.49071068761063,6.823200224883419,7.514489566417761,7.835288091920189,7.955230321626711,2.708889157361795,0.2476089999141027,0.0026176959363685,10.383373528529168,3.368411861844862,6.405804249224771,0.6899037238528817,6.938249455277297,15.66137544835638,0.7894658297616726,5.095257876260954,0.9414139022711646,30.611888167831623,4.619934685628144,10.812743910899329,0.5703205397566147,-5.095257876260954,-0.9414139022711646,22.9418030176546,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.446150620007328,16.337387069992772,17.120709185564227,17.811396806255186,18.422244305777056,18.964008361792832,19.445788915545013,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_135,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0713458323665819,0.3707402346519538,1.2763490303915954,3.141439902445742,5.203080881365386,6.622691844990776,7.375615943008716,7.7282757161903906,7.860623570106487,2.4299787367967305,0.2739023237854084,0.0052106626660519,9.332329436896442,2.836595524290084,5.633469676269189,0.414649740299532,5.074177501079685,11.226829041727768,0.5835928311130617,5.661840584004604,0.8354712311015378,23.330347722408643,0.7073518840580443,2.01581332797496,0.0965870965502006,-5.661840584004604,-0.8354712311015378,6.285147012708503,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.934448655912268,16.60992491142841,17.210831895505898,17.750047545850613,18.23722329851473,18.67972499055201,19.08329206523158,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_136,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.068802020685013,0.3679134515239479,1.3038063070579629,3.3398096575858176,5.6134176425548565,7.171315385001881,7.993933683392904,8.378334321402479,8.522445146152348,2.556475533782224,0.2710774306347258,0.004799291933461,10.58801831675126,3.0807805703071858,6.530980924325685,0.4719087182132406,4.530400399273102,10.04359164410613,0.4682146587476514,4.031836644332459,0.7963564901469989,20.529861483904583,1.4823310526995264,3.728621031699564,0.2391655120726578,-4.031836644332459,-0.7963564901469989,12.513141350279806,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.398194693424076,16.151342684203055,16.819916790726126,17.417688221109625,17.955305952147324,18.44111378741543,18.881762381541623,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_137,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0704665026187756,0.3772557080286386,1.3783121699999086,3.450027130398664,5.688990252836642,7.213090323976392,8.017883093880574,8.39419972931558,8.535333924402519,2.6660878629642624,0.2761449601299579,0.0050494029976878,10.53926586899335,3.4193753114715,6.318125514072126,0.5979711905930744,4.387610716087081,9.682584673769282,0.4665506026106102,4.477761429730952,0.7855652572455674,20.1169265268149,0.7722492691710175,2.136118633034858,0.1404917485962248,-4.477761429730952,-0.7855652572455674,8.704866636311412,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,14.869171360308888,15.65131219060414,16.34715459613398,16.970346311695685,17.53161816012903,18.03947385194724,18.500735043436904,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_138,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0695278848669208,0.3715238333723537,1.251500576081644,2.96462696132125,4.806172558796607,6.062640781717994,6.727250388687134,7.038284780784219,7.154978608407308,2.319693686976358,0.2737751694164673,0.0049015567892531,7.941018571244905,2.387255747727614,4.934181245421993,0.3921690444788606,5.694051492362759,12.516896249928902,0.6785681111552283,7.397836847355478,0.9627809513758108,26.60787769468924,-0.4173088188431892,-0.4304721487212882,-0.0577748554470435,-7.397836847355478,-0.9627809513758108,0.8358738636097242,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.260038219014469,15.998080156696233,16.660309621306787,17.257004290776393,17.796695103913116,18.286434415889094,18.7320787636592,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_139,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0543901395483542,0.3363677775964266,1.212065202824386,2.852880172352814,4.567857010381284,5.728812381624362,6.341792847491646,6.628537697374098,6.73610531121143,2.243545073200287,0.241490631804612,0.0030166469978069,8.31466984255723,2.190109929199952,5.324099204497433,0.3061852085322483,5.044010054585316,11.064827109771516,0.6221143098711367,7.080145010788406,0.8327090043998309,23.74966051154357,-0.8779057306668121,-1.5223296214169506,-0.1319843894101362,-7.080145010788406,-0.8327090043998309,-2.6437939633009773,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.227311138975775,16.143469047928175,16.945900547123067,17.651532445667968,18.274400685797623,18.82614525408949,19.31647168332409,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_140,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0634784004984485,0.3817331840962237,1.3140050167375126,2.9412044674542512,4.609832011184867,5.735983862530342,6.33021629667642,6.608135388663269,6.712384345956411,2.3438607521878585,0.2747137304745367,0.0039973842421091,8.081144821611504,2.7053205284052884,4.837564187653616,0.3845640596182705,7.795007341817799,17.36406212792154,0.9466777926749592,8.57005514354883,1.1484269317818874,35.575849439254675,1.836023256046112,4.6958956035114365,0.1863846306031479,-8.57005514354883,-1.1484269317818874,8.965588766741284,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,14.696499687147623,15.526017588814858,16.27148970615405,16.942374562223783,17.547108845087116,18.093119893275546,18.58691632650781,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_141,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0721583303943364,0.3704591798222115,1.3420655257188816,3.496398476774164,5.8947037780778,7.536032427104516,8.402731005278135,8.80779711390711,8.95967014374262,2.668118108990629,0.2741286430929282,0.0053201105113585,11.575630530241703,3.4704685051555035,7.055378747521711,0.5782460223381491,5.4057659374503455,11.945597920936942,0.5924154039347022,5.673783684362341,0.9361509990466362,24.79317694496892,0.9285834990176188,2.5632834915675344,0.1528021768262348,-5.673783684362341,-0.9361509990466362,9.406713996172558,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.449161080183051,16.171457759859518,16.813475971397956,17.388465027276425,17.906709816644913,18.376261177871104,18.803495962289787,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_142,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0776530512789926,0.3705080242871219,1.19279039097205,2.8520869887626072,4.655500006711104,5.883183419448207,6.5306195097677655,6.833098142556039,6.946494294029376,2.22265869914219,0.2790871955885236,0.0061983995451704,8.780303871236335,2.2893772028515857,5.444361763939256,0.2117787829513847,4.778322884635193,10.307796062225536,0.5995843614172773,8.283440122581977,0.8984337824375032,23.24583559648025,-2.9486162089973265,-6.116837315355358,-0.3843247525187047,-8.283440122581977,-0.8984337824375032,-11.190983391279122,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,16.121140857944106,16.75423878671037,17.313952325163058,17.814552864852484,18.266509585181627,18.67760910393977,19.053725595119207,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_143,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0637832704238752,0.3920992651007326,1.4376794183022823,3.460723252489886,5.57506511418775,6.99253023848302,7.736221312881251,8.083040709583663,8.21297362881063,2.706255799195785,0.2807679392096012,0.0039866251402548,10.354760295317089,3.4766902940305795,6.118582076370319,0.5147774375884238,5.879264306406069,12.892375286187832,0.6972080442222199,7.837831751070416,1.0178920754792182,27.58677307747364,-0.7522103518287326,-1.148814472474123,-0.094025226036651,-7.837831751070416,-1.0178920754792182,-0.1063913815868505,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,15.843406172066738,16.578016070187907,17.229055462659577,17.811000053578116,18.334397528596497,18.807225098744947,19.235749108881897,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_144,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.1999572639347077,0.57611846436572,1.53049988125258,3.476897155736003,5.563103611418229,6.9657720360062445,7.700875162791193,8.043357473399103,8.171603907599199,2.7405776176969363,0.4686098062287127,0.0403034757301582,9.180267968644229,3.945913392128592,5.001527293168984,0.714500014784452,10.007985526232105,22.64234384379288,1.2229824976677717,8.311190073948252,1.239617138140794,44.29959991434751,6.256276338071428,14.611086680980858,0.6904600746032324,-8.311190073948252,-1.239617138140794,25.66131510708864,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,17.296542358320558,18.225938272615306,18.9926533381579,19.62987629420696,20.163543272791635,20.6138597699934,20.996602667660422,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1862_145,RSM1862.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2024269991127739,0.5749150955844738,1.485129566739235,3.3363755956834087,5.334067201064188,6.680770386276349,7.3870180103948595,7.716108973686278,7.839345720284776,2.634179747866827,0.4696900955964123,0.0413194278087713,8.324353595527114,3.657741062804439,4.491765339347012,0.6727394770161454,10.271598660851105,23.24886307135071,1.2531441305563806,8.414959161920507,1.2681973823684585,45.4170970325647,6.5609407756062215,15.306212079514696,0.727154626673893,-8.414959161920507,-1.2681973823684585,27.00746439667764,17.0,38.938645,2.0,0.0,0.0,73.0,-7.0,-14.99146,-1.0,-15.0,-1.89,-35.0,RSM1862,17.540413215628117,18.444397374810933,19.18879683364825,19.806552265801223,20.32325367957467,20.75876125307121,21.12854113282249,[Mn][OH]([Mn][OH]([Mn])[Mn])[Mn].[O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-]pcu.cat0,"linker [O-]C(=O)c1[n+]([O-])cccc1C(=O)[O-], nodes [Mn][OH]([Mn][OH]([Mn])[Mn])[Mn], topology pcu"
RSM1440_0,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,11.0,22.98976928,3.0,1.0,0.93,166.0,0.00022916039134,0.0528173794991044,0.5950872233106493,1.880243167354176,3.2694665140910493,4.2148431746224935,4.714727228945941,4.948704775837851,5.036498939789527,1.3926524090104533,0.0229113183765767,1.4167566963252e-08,3.2473237056721973,0.9773544515491512,1.9473860282940567,0.0929536864343069,3.767812437233173,8.467895295909779,0.8599832972183262,14.631269114863551,2.4150308405828818,94.86736328779445,-1.6746690305683831,-4.120546771823343,-0.8599832972183262,14.631269114863551,2.4150308405828818,-94.86736328779445,6.0,12.463230720000002,0.0,16.0,2.51,0.0,-10.0,-21.98182928,-2.0,0.0,0.0,-135.0,RSM1440,4.178840772914698,5.459264452309641,6.752466631834249,8.01627799867767,9.223366030408275,10.357970741783902,11.412646421143656,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
RSM1440_1,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,11.0,22.98976928,3.0,1.0,0.93,166.0,0.0002221821000623,0.0525378385702566,0.590397267976272,1.8536425212078167,3.2153947204218083,4.142481730231357,4.632981268311183,4.862639083700785,4.948824392238548,1.3752736358376485,0.0227452418068499,1.2514887136911969e-08,3.072043826588189,0.9336859694521252,1.84763296294993,0.0898477381493186,3.654499040724053,8.224722978011355,0.8425304801065602,14.903219902894442,2.437717192680472,94.3042890894694,-1.5484528850828063,-3.850033120557041,-0.8425304801065602,14.903219902894442,2.437717192680472,-94.3042890894694,6.0,12.463230720000002,0.0,16.0,2.51,0.0,-10.0,-21.98182928,-2.0,0.0,0.0,-135.0,RSM1440,4.070342613875265,5.335030534448133,6.6170715083197456,7.873883462543693,9.077458990153962,10.21131119645012,11.267323809435062,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
RSM1440_2,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,11.0,22.98976928,3.0,1.0,0.93,166.0,0.0002361133153355,0.0534961140070759,0.5895785558654899,1.8307711874091623,3.159655299386211,4.062131707856307,4.5391838324903,4.762468063887184,4.846250240705013,1.3622564129082402,0.0233012055748951,1.4772222020253689e-08,2.885143221945601,0.905602228475277,1.7188531424190112,0.0896871814855881,3.679968758078159,8.276364343230414,0.8416726890347732,14.871345755709752,2.434510355502,94.27971812273356,-1.5340568362764615,-3.818865112194888,-0.8416726890347732,14.871345755709752,2.434510355502,-94.27971812273356,6.0,12.463230720000002,0.0,16.0,2.51,-64.0,-10.0,-21.98182928,-2.0,0.0,1.27,-135.0,RSM1440,4.085257242802733,5.351505891701312,6.634515187458326,7.891797825025472,9.09545467307562,10.229099487455192,11.284700649085773,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
RSM1440_3,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,11.0,22.98976928,3.0,1.0,0.93,166.0,0.0002164843119757,0.052080152968376,0.5884330438063229,1.8537078868220005,3.221434277387902,4.153793728651444,4.647359810030003,4.878509124555799,4.96526268216998,1.374007591436201,0.0225027196610748,1.1487744297977396e-08,3.1021436743359394,0.9420874080724928,1.8610275455128629,0.0898672071658095,3.723780181526583,8.38215416242832,0.8665111118982544,14.658136594831053,2.4191334578918924,95.07753058997146,-1.7436594017938714,-4.269081537188837,-0.8665111118982544,14.658136594831053,2.4191334578918924,-95.07753058997146,6.0,12.463230720000002,0.0,16.0,2.51,0.0,-10.0,-21.98182928,-2.0,0.0,0.0,-135.0,RSM1440,4.110255646021209,5.380333176176408,6.6661249931973465,7.925214170584332,9.12984452041997,10.263793163284753,11.319183895104642,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
RSM1440_4,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,11.0,22.98976928,3.0,1.0,0.93,166.0,0.00035260416119,0.0652866904272956,0.7013405859042141,2.270684862151987,4.052436417533185,5.295711947997697,5.95997287694094,6.27220591483073,6.389559443528288,1.6640630406315484,0.0291645693272974,3.119011352583591e-08,5.169339673277626,1.5836484256292676,2.9043575956789627,0.1140431916703969,3.914696191427568,8.94864892172598,1.1299961379598316,13.014633737786914,2.344376764827857,104.47311241082696,-3.914696191427568,-8.94864892172598,-1.1299961379598316,13.014633737786914,2.344376764827857,-104.47311241082696,0.0,0.0,0.0,15.0,2.51,0.0,-10.0,-21.98182928,-2.0,0.0,0.0,-135.0,RSM1440,4.039499791702533,5.300136261267154,6.579544243975917,7.834927626265757,9.038025691362677,10.172112693294604,11.228869791426002,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
RSM1440_5,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,11.0,22.98976928,3.0,1.0,0.93,166.0,0.0003835083843713,0.0660568921844398,0.7037148005025843,2.284815379285129,4.087925772460196,5.349358564341993,6.0241838722155405,6.341567291507617,6.460885559026361,1.672612224314945,0.0297222326411865,4.1910642663574024e-08,5.314594927218363,1.615381564346469,2.989377532710087,0.1135380876066751,4.09178723661268,9.327993259180042,1.1553752763838707,12.638168589800047,2.313434374228764,105.37052976714467,-4.09178723661268,-9.327993259180042,-1.1553752763838707,12.638168589800047,2.313434374228764,-105.37052976714467,0.0,0.0,0.0,15.0,2.51,0.0,-10.0,-21.98182928,-2.0,0.0,0.0,-135.0,RSM1440,4.169962211510771,5.446008576249892,6.735240859811884,7.9957298655735265,9.20022045761299,10.332928872367988,11.386332876343824,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
RSM1440_6,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,63.0,151.964,6.0,3.0,1.185,198.0,0.0003219178428915,0.0749216126368146,0.8489089733393906,2.789410937734942,5.010104762148135,6.565459383068749,7.397507061449135,7.78876315696023,7.93583680022792,2.0369757041514207,0.032599112025135,1.6513820429685322e-08,7.891171896352827,2.2140267349155844,4.734931648518768,0.1593674395941791,54.99999999999999,135.9646,4.0,13.000000000000002,2.255,132.0,-54.99999999999999,-135.9646,-4.0,13.000000000000002,2.255,-132.0,-55.0,-135.9646,-4.0,13.0,2.255,-132.0,-55.0,-135.9646,-4.0,13.0,2.255,-132.0,RSM1440,21.71290774430324,21.891832093909407,22.03063076342232,22.14036401472716,22.228556662739912,22.30046308549213,22.35983729665996,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
RSM1440_7,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1422994212371914,0.4862680547598326,1.2284378955059672,2.503652746712882,3.8687843926625822,4.813735774691658,5.317900688085499,5.554792415043938,5.643817420609836,2.028691466046867,0.3876189611934625,0.0205127007951901,7.2457003311309105,1.4751535735422625,4.881260444431667,0.0974082501591594,2.9534565105052386,6.436632311468147,0.5299323861085822,7.192915599373896,0.3217757506816656,22.327984475074555,2.9534565105052386,6.436632311468147,0.5299323861085822,7.192915599373896,0.3217757506816656,22.327984475074555,7.0,14.99146,1.0,15.0,1.2399999999999998,45.0,0.0,0.0,0.0,0.0,0.0,0.0,RSM1440,3.6107040180828656,4.279641532474985,4.962436914878639,5.644134279046588,6.313273876701392,6.961739102094152,7.584311738766677,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
RSM1440_8,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1408342805081585,0.4717971030561432,1.1716955880927793,2.3482800740055785,3.541853181681,4.341553144478375,4.762190549006379,4.958670057911596,5.032334150010639,1.917832043075948,0.3786651091744831,0.020185376033061,6.660083078673246,1.274738567735652,4.548040224425769,0.0721841909318217,4.009677445289958,8.649905475011836,0.6405516226308388,8.402331157886064,0.5783929205501526,25.92168258939074,4.009677445289958,8.649905475011836,0.6405516226308388,8.402331157886064,0.5181987551617407,25.92168258939074,15.0,31.05706,2.0,15.0,1.2399999999999998,135.0,0.0,0.0,0.0,0.0,-1.27,0.0,RSM1440,3.65032664818309,4.311768456361877,4.991545456137458,5.673248772041401,6.3442129871251245,6.995440953466155,7.621131930667026,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
RSM1440_9,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1400511040799415,0.4959831612869417,1.4426990230197343,3.255131329550181,5.1503489100267,6.4226361985471705,7.09065686219542,7.402292235557728,7.519059913941941,2.5794490949387208,0.3892810324023408,0.0198998365217716,10.283392337034606,3.02113177897886,6.4636996360025964,0.5357535447400167,5.450960036416729,11.779416002748956,0.8812791736030048,12.374145024662909,0.7754308776028278,34.650546230400415,5.450960036416729,11.779416002748956,0.8812791736030048,12.374145024662909,0.763361003733867,34.650546230400415,15.0,31.05706,2.0,15.0,1.2399999999999998,135.0,0.0,0.0,0.0,0.0,-1.27,0.0,RSM1440,2.976562833812994,3.618462319232516,4.291787828927236,4.977935724192493,5.6618300796060055,6.332240069309974,6.981472832473058,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
RSM1440_10,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1417228358055682,0.5163022419951966,1.661449990490294,3.887193832570252,6.128531067111171,7.592912867112218,8.351480413793684,8.70321481695732,8.834676279273319,3.066728628988572,0.3993468289396829,0.0203279355248571,13.093366974463049,4.468528746463348,7.825933869675813,0.8985619908990751,5.410588863975729,11.700600540190436,0.8960863120380913,11.142102770667838,0.7188590826313458,37.90103585751496,5.410588863975729,11.700600540190436,0.8960863120380913,11.142102770667838,0.6001562902758527,37.90103585751496,15.0,31.05706,2.0,15.0,1.2399999999999998,135.0,0.0,0.0,0.0,0.0,-1.27,0.0,RSM1440,3.023456328964987,3.657672915429644,4.320918836168941,4.9957928079143645,5.668168416984865,6.327465471301258,6.966376196906226,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
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RSM1440_45,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1105842436835289,0.7463176906457045,2.282149565536785,4.524513036569687,6.548588261118966,7.8254656325396095,8.47895077543646,8.780567494035994,8.89309712090254,3.742738037984639,0.5415895746155107,0.0044041448171502,14.700235030277506,6.832791752114811,8.674232915070613,1.8704264142871665,0.9894494209529748,2.0459195482174355,0.0700337127364399,1.5497191228444944,0.3200546183470533,6.347921359493673,0.2891122935885754,0.5047912819214515,-0.0700337127364399,-0.2711574083029442,0.2710310194315454,-6.347921359493673,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM1440,7.262982891972357,8.107961603395365,8.938278784268615,9.749253856002923,10.53654079125773,11.296303518593758,12.02541388581906,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
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RSM1440_78,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,16.0,32.065,3.0,16.0,2.58,105.0,0.0824742535811798,0.6525102960925577,1.814642336187436,3.357389518733286,4.812324816428975,5.778538309191531,6.287553557068148,6.525709041325635,6.615073329244353,2.816866831107624,0.4718483144140731,0.0021784043631679,7.089758608241905,4.246110429612974,3.5905638903273025,1.0058283427783108,8.60698750964262,17.305826642148425,1.0287883747904203,0.8372945079659807,0.6779119923650824,37.98024868711632,-8.60698750964262,-17.305826642148425,-1.0287883747904203,-0.8372945079659807,0.6438687609410726,-37.98024868711632,-8.0,-16.065599999999996,-1.0,0.0,0.8599999999999999,-29.0,-15.0,-31.05706,-2.0,-15.0,-0.3799999999999999,-74.0,RSM1440,11.929303289569065,12.782503823919273,13.585866945628634,14.33936530536053,15.043110570085984,15.69773393430103,16.304505667560846,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
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RSM1440_88,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0571762971073684,0.3302863063717706,1.2533491178078378,3.148763121699214,5.152625518068905,6.498441463504419,7.2046791896850255,7.534023797594051,7.65740629091858,2.436931521692228,0.2392628713488411,0.0033801015778574,9.807070157857936,2.6135058526606207,6.258698930228153,0.3583200393947993,9.355741351722166,22.151146599366,0.813726753462746,6.999543374937945,0.862860881239571,29.64573761480644,3.823465681973524,10.428955448881656,0.1447610308060313,-6.999543374937945,-0.862860881239571,6.231937321821422,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1440,14.817055645257428,15.76206394606004,16.588295275439428,17.31426839873305,17.955055134846983,18.522963514184376,19.028124872879424,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
RSM1440_89,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0582467692546325,0.3280063391326338,1.2238735101606084,3.098351286976601,5.113723594663238,6.480502525431085,7.201124929284006,7.5378852270867265,7.664155641084715,2.3898312048304327,0.2392681981270989,0.0035114933387164,9.852342394386508,2.493986370076028,6.350252869048288,0.3213783145029332,6.616198403300534,15.72530255035345,0.4836022666076338,3.696393854484097,0.675298125179777,19.962437374882622,3.4749974748687324,9.220977651408967,0.2503028881683129,-3.696393854484097,-0.675298125179777,11.796959129506396,55.0,135.9646,4.0,0.0,0.0,132.0,-7.0,-14.99146,-1.0,-15.0,-2.255,-35.0,RSM1440,15.611223609152288,16.447529618177708,17.18274431105847,17.8325301269753,18.40939747771393,18.92347863812128,19.38310469101068,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
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RSM1440_91,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0249776529798337,0.2294690277782697,0.98062215954781,2.5248128983072804,4.221283102396761,5.392639244167783,6.015680822506742,6.3079678663929135,6.417736400411264,1.938407847718828,0.1554170440745337,0.0006499798964042,6.756287426300542,1.7965040460405228,4.2341514088511625,0.1783568159061072,3.5280207850441823,7.32392420220487,0.412770376666604,4.436638491421945,0.6700394478514586,17.490507343536223,-1.1344754780891124,-2.5172065167777,-0.1135772132972202,-4.436638491421945,-0.6700394478514586,-0.931658305197628,8.0,16.065599999999996,1.0,0.0,0.0,39.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1440,14.582278104099586,15.485561397555568,16.29138350990237,17.012218264457246,17.65816565779483,18.237735018682923,18.758305815490107,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
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RSM1440_121,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0275107635559,0.2245727324172553,0.86334937355657,2.0074645011988324,3.1457050666728548,3.9015260884249146,4.29843099664397,4.483815405439867,4.553327223312595,1.5912773360129788,0.1562068651700503,0.000796839443385,4.673548755085456,1.1394567229745156,2.914883730775528,0.0758243630597697,4.636994877338308,9.866807625873236,0.6659265068312942,7.266344067060672,0.90483984852053,31.715264736331424,-0.6682189779225373,-1.4543307899452516,-0.0524808447744336,-7.100382248336338,-0.90483984852053,6.5710074301309485,9.0,19.4536,1.0,1.0,0.0,100.0,-7.0,-14.99146,-1.0,-15.0,-2.51,-35.0,RSM1440,14.298184741587212,15.166280485150647,15.942793864368433,16.641147103286446,17.271465793288936,17.84170652215294,18.35840268098843,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
RSM1440_122,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0275093945964938,0.2197948916302439,0.8487888755434028,2.183830758909563,3.686654002735176,4.730554807050081,5.286439878760047,5.547274431576214,5.645234130264409,1.6706246875473596,0.1541905837305003,0.0007975559078186,6.545313722853377,1.3538418998523885,4.260050617657279,0.0742090043260265,4.339841236771632,9.105929007659558,0.5298506422195218,6.919028055725355,0.8504170254806954,21.59548003893301,-2.6802229179691803,-5.7730834998404745,-0.3223983523692152,-6.919028055725355,-0.8504170254806954,-8.23323477167278,8.0,16.065599999999996,1.0,0.0,0.0,39.0,-7.0,-14.99146,-1.0,-15.0,-1.2399999999999998,-35.0,RSM1440,15.448702326655232,16.186618954396117,16.851316766252825,17.453753318599496,18.001623924565656,18.50072162634283,18.95574172622897,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
RSM1440_123,RSM1440.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0002414170953101,0.0386314642649588,0.44158247260865,1.5551339848963777,2.900331334287833,3.863443259293021,4.383438763859576,4.628925460590316,4.72135321845671,1.1127189470801968,0.0173969804769266,3.453109717172177e-08,2.9745978932703943,0.7578368880023191,1.7894179668072496,0.0518153014904716,3.745962685205485,8.168699216161432,0.6849730397761555,10.286781456109276,1.2139851796750252,41.94190502710499,-2.075932011317831,-4.287427856673767,-0.1348360647174236,-10.286781456109276,-1.2139851796750252,13.248586369829727,8.0,16.065599999999996,1.0,0.0,0.0,100.0,-7.0,-14.99146,-1.0,-15.0,-2.51,-35.0,RSM1440,20.958200627169127,21.53304456602967,21.989592371336308,22.35720532306802,22.656967307922585,22.90423254001747,23.11034314446733,[Eu].[Na]O[Na].[Na]O[Na]O[Na].[O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O].[O][Na]rna.cat0,"linker [O]S(c1cc[n+](c(c1)c1cc(cc[n+]1[O-])S([O])([O])[O])[O-])([O])[O], nodes [Eu], [Na]O[Na], [Na]O[Na]O[Na], [O][Na], topology rna"
RSM0040_0,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0051588166857818,0.194894434283787,1.1683152603602354,3.174247637615154,5.277995521311069,6.677930269274256,7.40809139246099,7.747533461621711,7.874525918669131,2.4223838468559347,0.1105905610234227,7.52084009569839e-06,9.663945518791737,2.752542005395497,6.5636095174834574,0.4417806351726929,23.56543240160305,52.598286680776944,2.0942387336005086,3.753909868804072,1.3108394637755725,54.76954934402036,-23.56543240160305,-52.598286680776944,-2.0942387336005086,1.6806577295928724,1.3108394637755725,-54.76954934402036,-23.0,-51.37329999999999,-2.0,3.0,1.39,-51.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM0040,18.8068824482692,19.21653597435364,19.5390922416586,19.797280920373623,20.00698752152081,20.17953912171661,20.32316640532152,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_1,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.005160019502655,0.1949141955711036,1.1683127904103363,3.174067243473212,5.277627212728034,6.677449482054632,7.407555848014707,7.746973311122373,7.87395669578884,2.422274090362799,0.110604282042868,7.524503114170484e-06,9.6609602612858,2.7516770317494053,6.562067759984838,0.4418055205777642,23.564873027136382,52.59707481836989,2.094145504522732,3.753164036181858,1.310917776200905,54.76582018090927,-23.564873027136382,-52.59707481836989,-2.094145504522732,1.6819629366817488,1.310917776200905,-54.76582018090927,-23.0,-51.37329999999999,-2.0,3.0,1.39,-51.0,-29.0,-64.37205999999999,-3.0,-11.0,0.5500000000000003,-91.0,RSM0040,18.787774793985086,19.20038703603155,19.525284898999693,19.78535290218812,19.996587544276853,20.17039644289612,20.31506953290016,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_2,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1791420776275065,0.6259432785372705,1.554680418138747,2.9012480272261008,4.151758949836896,4.953965416792379,5.367532273160722,5.559001213432135,5.630524181296861,2.4271133080121485,0.493828839364782,0.0304094797679065,7.20791825072604,2.207748819796856,4.998621950938119,0.7804462813866616,4.817685493982825,10.460214576048845,0.7895043170109264,10.68371518142292,0.6238488338037761,31.455449150965727,4.817685493982825,10.460214576048845,0.7895043170109264,10.68371518142292,0.6120629925296797,31.455449150965727,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0040,4.677687972521228,5.369009266929687,6.024201935215955,6.643573485712414,7.228661597066628,7.781375626140736,8.303670835390195,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_3,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1805853877886382,0.629041869531689,1.5353692770896803,2.7847254001800703,3.926852554860975,4.663518216690135,5.045674998240569,5.223223205229424,5.289650602121335,2.349802276141131,0.4967358105843353,0.030870812527863,6.729456466814503,1.9201697055865845,4.832684321496842,0.7792040461802853,3.903486656924749,8.482732138055356,0.6309636748971201,8.385653467624453,0.4885801386283973,25.000121751041544,3.903486656924749,8.482732138055356,0.6309636748971201,8.385653467624453,0.4737683089301834,25.000121751041544,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0040,4.547351575841103,5.249020353738776,5.915738340964384,6.546660526314466,7.142580079971863,7.704925502631459,8.23532885428516,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_4,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1850844210696347,0.6214311739647458,1.5097330455104738,2.8280684836722307,4.085401671842961,4.906935773896547,5.334565632925068,5.533430901313075,5.607856178744136,2.359500477935744,0.4949101443030942,0.0322835946320897,7.250202945787135,1.9431807311412783,5.028915132396014,0.6119824914392764,3.244721913586281,7.047672627705418,0.5438662580073383,7.411883596579571,0.4155913747789749,21.960789871337067,3.244721913586281,7.047672627705418,0.5438662580073383,7.411883596579571,0.4107783933701188,21.960789871337067,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0040,5.773137608323202,6.439178737384601,7.056459833857189,7.631134300687124,8.168224202340976,8.67155591093315,9.1439950560449,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_5,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1836184446635781,0.6300317697744826,1.5457116902575312,2.8893984156505965,4.168480124914823,5.005576919813311,5.441825801910567,5.644817273827011,5.720805531558795,2.412756090488239,0.4993036728556217,0.0316452423418939,7.340803823921899,2.096677995855824,5.089362475010847,0.7458463360012375,3.319509557606537,7.220895015552389,0.5402841660393439,7.118924103696614,0.4003381574690185,21.54601831895572,3.319509557606537,7.220895015552389,0.5402841660393439,7.118924103696614,0.3866442369821818,21.54601831895572,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0040,5.048515427684289,5.736188797712454,6.381302769726629,6.986412636391922,7.554530723228088,8.088415316559416,8.590396108813643,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_6,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1791399184325603,0.6257899258198357,1.554337127392429,2.9008788801374856,4.151395972053946,4.9535928784503325,5.367149134806452,5.558611801300786,5.630132202171775,2.426742122953559,0.4937253085731395,0.0304128186837064,7.2069965270379805,2.20650351370706,4.99839997135654,0.7801836846826101,4.817083615776648,10.45887368483906,0.7894292144218622,10.683282905228198,0.6238466363304602,31.4527244324092,4.817083615776648,10.45887368483906,0.7894292144218622,10.683282905228198,0.6120809727943726,31.4527244324092,29.0,64.37205999999999,3.0,14.0,0.8399999999999999,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0040,4.686568522627548,5.377692816463103,6.032526915694799,6.651456613694558,7.23606946783573,7.788305788292702,8.310139584719458,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
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RSM0040_10,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1457247878213505,0.8705534658243028,2.2562180030885,3.88524462476514,5.265961797729401,6.132769127862942,6.577684219624988,6.783473543643929,6.860328777733885,3.3392141153531854,0.648264892418622,0.0071952684096537,9.421011359508046,5.109233271892173,5.620412766050231,1.939836821525469,1.6889154232417944,3.547223969359316,0.1722288558104485,3.0667462697253827,0.4658879601865373,11.889154232417944,-0.0333731348626915,-0.2427615617546262,-0.1722288558104485,-1.41120398134628,0.3453277611192234,-11.889154232417944,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0040,6.972099521399059,7.687202901086358,8.39198741474292,9.084859679226112,9.764139608814467,10.427841809085324,11.073788447088772,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_11,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1447977952132949,0.870821534328697,2.250650438301283,3.8114243400496792,5.086295572151565,5.87602802418225,6.280100436337205,6.466875474188038,6.536620243515687,3.296784286532496,0.6478347528615872,0.0070795351562875,8.733037589272222,4.964020403690848,5.178426294712566,1.9292486949654368,1.4827367406707244,3.0829738022115625,0.1206844888662018,2.44821265160034,0.4731035763096311,9.82737348067766,0.2758918520087053,0.4272488687765796,-0.1206844888662018,-0.6895840589209098,0.3886244341032898,-9.82737348067766,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0040,6.994876918374186,7.697283010382661,8.392127525119738,9.07806494003163,9.753218431437888,10.415169054048494,11.06122166394426,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_12,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1457348844339105,0.8705411399316393,2.256149934455874,3.885158753169068,5.265835981396423,6.132588622068088,6.577465713152422,6.783235170446321,6.860082615588436,3.3391334638984054,0.6482636848590099,0.0071966667369447,9.420144996071508,5.109057582596497,5.620057749939715,1.9398437211632256,1.682911685184658,3.533705412413443,0.1707279212961645,3.048735055553974,0.466098091018537,11.829116851846583,-0.0243675277769872,-0.2232512742277313,-0.1707279212961645,-1.3901908981463036,0.346588546111222,-11.829116851846583,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,-5.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0040,6.970612025809797,7.685647043956999,8.39042916951793,9.08333891828857,9.76267883697505,10.426452368348334,11.072474717542674,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_13,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1448178412409193,0.870827827444447,2.250489794418331,3.811059357772569,5.086002428624583,5.875926440946686,6.280138551275206,6.46698711814816,6.53676074597362,3.2964644590557155,0.6478537365308563,0.0070816337283213,8.731743084134393,4.962776729928689,5.1784760622750685,1.929002434397476,1.479013314518128,3.074591057047801,0.1197548606414179,2.437052199649472,0.4732313167669052,9.790163785419,0.2814647081039485,0.4393230761058651,-0.1197548606414179,-0.6765741770273951,0.3894029143179128,-9.790163785419,1.0,1.9960000000000004,0.0,1.0,0.4900000000000002,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0040,6.99599568478131,7.698843909520451,8.393869284599283,9.079829670832863,9.75491401953433,10.41674511737422,11.062654085553554,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_14,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0937445837884331,0.6004944566412248,1.7880350749290144,3.505586986054094,5.077272005726892,6.0761575476018,6.588749113192448,6.825568889245797,6.913955873628441,2.904047979508522,0.4378715642107029,0.0044163278772044,9.48931209332481,3.662706618666591,5.815895783512921,0.9259761229032872,4.976674493975386,11.004316996485851,0.4801466697022802,2.714298398170891,0.4672580263553411,15.443223775580009,2.8223053631758885,6.415653955487606,0.198025491789135,-2.714298398170891,-0.4672580263553411,4.158376659054204,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,9.794709660341738,10.555600344479522,11.311491781030831,12.05362902735805,12.773768587915,13.465278638935418,14.123456898123306,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_15,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1083125405717913,0.6196758095509989,1.6751033618569435,3.130493197075977,4.486930747802637,5.369628701915933,5.828803640180544,6.042317176872429,6.122223352886388,2.620145182965456,0.4625274330635372,0.0060183290433486,7.658984747495193,2.886702227846239,4.887115589443979,0.7624242419166155,3.1658429163706248,6.865182151227423,0.5196747302268344,7.168944905722601,0.4356016388233615,20.66593822837517,-2.9686871048905097,-6.424810644709536,-0.5025307466198679,-7.168944905722601,-0.4356016388233615,-20.22228084549292,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,10.197352113397134,10.916946154570766,11.633108720641689,12.337749273871534,13.023267824296754,13.68343560067342,14.313689437855084,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_16,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3961952242028594,1.1709897709509798,2.1439608452850387,3.3668806003876486,4.536619579250519,5.305446561821688,5.705847092594159,5.891967347178293,5.961600920889639,2.934358183413551,0.9825963902086432,0.0639304662617788,6.860366866076565,4.263411993669012,4.3432964738865865,1.5674134850066213,4.070089432410885,8.769622685571461,0.631354548945338,9.12092582397359,0.6684992690961236,26.663992651507805,-4.070089432410885,-8.769622685571461,-0.631354548945338,-9.12092582397359,-0.6684992690961236,-23.84437126411924,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0040,14.36010377287511,14.958372492864395,15.503155247313972,16.000688394627545,16.45632506982903,16.874647640840216,17.259570997463296,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_17,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0923495871355439,0.5988737647782285,1.8290004357351348,3.662033904103133,5.351227365425843,6.424970798406067,6.975699305667714,7.230058553265613,7.3249780279640335,3.017052643748683,0.4351776057045241,0.0042912937041621,10.165975839231894,3.988843245726945,6.133467685662739,0.9760699966819334,6.462407538542807,14.260597858803468,0.6621253693947426,4.554346282986887,0.6393173982443843,22.12147489499578,2.744063397369348,6.303175764322436,0.1384373206845751,-4.554346282986887,-0.6393173982443843,1.173952946589081,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,9.9048242210449,10.67116719227418,11.43118048828581,12.175814404550758,12.896831385419624,13.587775772227314,14.244195903865611,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_18,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1053854395692824,0.6193333759045266,1.76481040263005,3.3928472177606097,4.904249961169069,5.878896372972383,6.382844169480181,6.61646017064531,6.703773087354671,2.821280431194089,0.4576420480794347,0.0057937643821648,8.3725960973065,3.5622298634716345,5.172697259462162,0.8343635420884639,3.131294662332077,6.794283859726911,0.5091197450490941,6.956737718969544,0.4261305684582307,20.17013598672232,-2.8150256186447664,-6.087858448332941,-0.4816180890762844,-6.956737718969544,-0.4261305684582307,-19.45937737829281,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,10.313546185412124,11.049909342792642,11.779824994042547,12.494957809361402,13.187815455600646,13.852482873444956,14.48480571827508,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_19,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1057815630587098,0.5666573044766725,1.4237163998810092,2.6188255631037984,3.7992970067261904,4.594512597935619,5.014628070407636,5.2112707667451765,5.285059550506538,2.1911379949935608,0.4308590776265588,0.0059442970912385,6.397242940515652,1.8697312534805224,4.0723795946855015,0.2840066586057013,0.9035852174914418,1.95552200410968,0.1446077900605397,2.017635872067424,0.132325667933691,5.864110100943154,-0.8488814221641237,-1.8333344176536404,-0.1398509382929468,-2.017635872067424,-0.132325667933691,-5.51423903319631,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,10.395500679341426,11.117629243496236,11.836385987823087,12.54262268432949,13.2282652290499,13.88699098625309,14.514360025495035,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_20,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1063658248407098,0.6129363628597212,1.630790541575185,2.9550826973394733,4.159190898751006,4.939216501376791,5.344853556700974,5.533506388665274,5.60411760657607,2.4970765135606623,0.457164494470423,0.0058791116518291,6.824445331693074,2.64293267141287,4.311275375618589,0.687719076613294,1.658376835884512,3.586658213042573,0.2665096003842209,3.748738432070008,0.2463527561341753,10.859644700525472,-1.6050740715272762,-3.4675999998185043,-0.2618745773966351,-3.748738432070008,-0.2463527561341753,-10.275722410708774,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,10.264312993184763,10.985063506663824,11.703454898321525,12.410302476470116,13.097455928236254,13.758478078943291,14.388792386372774,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_21,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0933250876806169,0.5969267379699328,1.747405368953089,3.364553473800377,4.8427952246706765,5.789831390514077,6.278566993645481,6.505008281501743,6.589625785708338,2.8003774726837447,0.4358407025717808,0.0043870003712216,8.668617171334711,3.383613297794115,5.334246475195335,0.8667744203199713,3.789283876746115,8.348677970421715,0.3552090015190192,2.1888407278225146,0.4099431376681481,12.133574023077342,1.8867521624062376,4.329439518716785,0.13835934971162,-2.1888407278225146,-0.4099431376681481,3.459587950781376,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,9.808339532792926,10.583468866768325,11.352783661811488,12.10652413319881,12.83605486176272,13.534728220078708,14.198029998460122,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_22,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0937255496338135,0.5991760451681518,1.7884233321301863,3.51553888097974,5.103847888244419,6.117516429526958,6.638867205779864,6.879984000672826,6.970013759118301,2.9097652130590115,0.4369180614197083,0.0044368109984073,9.43340422508884,3.6332452605262455,5.778275054018447,0.925750106922417,4.551318815654295,10.064761345802506,0.404140549717627,1.815741355210275,0.4397225498610601,12.871028573015996,3.075355780915473,6.970344830369563,0.2590485456362659,-1.815741355210275,-0.4397225498610601,7.06734840976155,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,9.868830311181464,10.624679994162554,11.377134768244767,12.116412730938588,12.833764000770072,13.522361293250707,14.177472793144478,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_23,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3988155739959499,1.166783560249497,2.111461438190976,3.2773430687180567,4.4144061026787895,5.177925675093444,5.580481138603546,5.768705142869394,5.8393018136493895,2.8637368017294795,0.980522828904554,0.066064980049125,6.671248604818664,4.021565851985286,4.190498375550535,1.387243141257764,3.4757801294950066,7.464459057457813,0.5150787271557165,7.596409946740738,0.6214669364255485,22.5296879190322,-3.4757801294950066,-7.464459057457813,-0.5150787271557165,-7.596409946740738,-0.6214669364255485,-18.67661025342512,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0040,14.389580039571127,15.010018946164154,15.576092873008903,16.093001380312014,16.565593012994874,16.99827491829051,17.394984849776584,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_24,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0937311271319709,0.6004958452570661,1.7881484928263245,3.505839119388223,5.077562498891032,6.076443867777121,6.589028942805171,6.825845182984868,6.914230791714912,2.904263354568065,0.4378626399061686,0.0044148502740891,9.489094638788863,3.663670022690675,5.815355689174987,0.9262537750095688,4.982494542939395,11.01678152800635,0.4813268343731835,2.7333422334028024,0.4682282940764708,15.492951427877337,2.8116521595054613,6.392393984546271,0.1964250527959343,-2.7333422334028024,-0.4682282940764708,4.096880164787367,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,9.8451963133105,10.600793738914351,11.35216814181459,12.09041149584749,12.80716657293139,13.495714935034837,14.1512867684604,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_25,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1083309713935062,0.6196529605570432,1.6749903055718365,3.130503199213395,4.487293778194256,5.3703063537533,5.829663764690743,6.043265722548714,6.123205517427425,2.6200776366984595,0.4625241523786774,0.0060212613512904,7.661187723944494,2.886385000251606,4.888966547470982,0.7621873959968406,3.16006232207555,6.852604912354972,0.5187772941342277,7.157261861902838,0.4348552518229106,20.631040654144783,-2.964538282927202,-6.415878167990631,-0.5017752037735017,-7.157261861902838,-0.4348552518229106,-20.19105926216439,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,10.19650636899238,10.915657285835591,11.63150480134999,12.335930525542569,13.02131240561513,13.681403670675753,14.311626512104183,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_26,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3962234626333317,1.1710544595156036,2.1440070534706708,3.3668554765566703,4.536529210129272,5.30531998855726,5.705704008769983,5.891817142344243,5.961448142139277,2.9343591975434173,0.9826557869436994,0.0639341418449708,6.859594033748813,4.263626982640377,4.34334168785054,1.5684659953511253,4.07858235790417,8.788078644552,0.6328251575885613,9.14118361861266,0.6695725244370644,26.72116336540646,-4.07858235790417,-8.788078644552,-0.6328251575885613,-9.14118361861266,-0.6695725244370644,-23.90484924167844,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0040,14.360928546162793,14.959018528507652,15.50359718321501,16.0009219937084,16.456358910725978,16.874497648937684,17.25925682495776,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_27,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0923387186411065,0.5988328825527307,1.8288807200507349,3.66188195602491,5.3511858875128935,6.425068431876032,6.975887725133266,7.230293152010736,7.325230531640966,3.016894751757901,0.4351460428312668,0.0042903100706126,10.168889902154548,3.988485918668613,6.135670110033551,0.9759252466738412,6.448654987007558,14.230706227042234,0.660225608824121,4.530643771597656,0.637396182644819,22.04596015593897,2.751110011773886,6.318088869127274,0.1397539562873089,-4.530643771597656,-0.637396182644819,1.2270940544664926,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,9.888387917584511,10.657239507917891,11.419263338152543,12.165529994433344,12.887888254098838,13.579945612624082,14.237297461373858,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_28,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1054161488367651,0.6196454726716157,1.7657610863297362,3.3944181932956714,4.906217093114619,5.88105040555572,6.385076990202953,6.61872573425849,6.706050297976573,2.822660859405118,0.4578513173050068,0.0057965994729154,8.378471236989867,3.5665749880166,5.1762665678297175,0.8368198836019939,3.1190216540026814,6.767459437196676,0.5073475097338103,6.935707455904822,0.4246937431453071,20.103696723425376,-2.809678968043133,-6.076504888996431,-0.4804481457373278,-6.935707455904822,-0.4246937431453071,-19.408129495420148,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,10.286561149384584,11.02437864011962,11.755610340405282,12.471974833179583,13.166006652326086,13.83180215393696,14.465210234894064,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_29,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1057637138811582,0.566621064722677,1.4239952964922686,2.620426051829825,3.8026014604471614,4.599041629413224,5.019817489206407,5.216771720015873,5.290677761857337,2.192190198058894,0.4308211730061486,0.0059424795214572,6.403916411113023,1.871485173507572,4.076760163574957,0.2843536779840915,0.9046484601590938,1.957809205478644,0.1447360235036981,2.0193689912960733,0.1325211991438011,5.869878003083038,-0.849489787462987,-1.8346055950430389,-0.1399396171822975,-2.0193689912960733,-0.1325211991438011,-5.517147624356787,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,10.39222652254266,11.114273989855798,11.832920041632082,12.539053401965568,13.224618724062484,13.883300578737458,14.51065948933742,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_30,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.1063947677151074,0.6131195884656055,1.6312969683154883,2.956169037487674,4.160939965320378,4.941457882214239,5.347371219077867,5.536157355967726,5.606819259861365,2.4979422513541927,0.4572998427872023,0.0058809196647794,6.828768444476285,2.644957598303431,4.314324356497018,0.6887166330608764,1.6582203988951063,3.5862438441351663,0.2664867482203643,3.7492281615956458,0.246454886779329,10.860568289533632,-1.605976891648738,-3.4695516106212594,-0.261943834546767,-3.7492281615956458,-0.246454886779329,-10.27665502115162,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,10.260790306938851,10.982368918411844,11.701361314577005,12.408658138362611,13.096155401976825,13.757445516932206,14.387971581098752,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_31,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.093306395688089,0.5967988444419121,1.7471855142246142,3.3646236817238333,4.843396416189658,5.790854323795496,6.279825650955101,6.506379686932379,6.591039855535144,2.8003028443711706,0.4357469744261956,0.0043857295210538,8.669143491902966,3.382454256990993,5.3351180189025,0.8663615920505947,3.80038356111578,8.37321982204878,0.3564729346606515,2.1985334377911228,0.4109103696186955,12.174835417429051,1.8903704841079427,4.337772125407387,0.1383752431848895,-2.1985334377911228,-0.4109103696186955,3.4509277583985707,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,9.797878813132533,10.574333179529804,11.344730472895357,12.09936684281134,12.82964820037535,13.52895760556732,14.192803832265636,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_32,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.0937344325434339,0.5991427267679372,1.788518839158989,3.516687466988494,5.106476024151424,6.121199963595977,6.643109709773629,6.884487247851222,6.974614634201744,2.910452756457306,0.4369011513122172,0.0044378221198728,9.441039796594849,3.635282009751934,5.782764526093054,0.925796101688262,4.5453209769512215,10.05144103708726,0.4034060516383064,1.810156435456772,0.4393183040952907,12.848368507070404,3.073317798372152,6.965716154057095,0.2590842766506825,-1.810156435456772,-0.4393183040952907,7.075497507565448,23.0,51.37329999999999,2.0,0.0,0.0,51.0,-6.0,-12.99876,-1.0,-14.0,-1.39,-40.0,RSM0040,9.836309703385432,10.597808889835068,11.35487285998708,12.097922905437606,12.818368579286084,13.509509827037409,14.166717294984094,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0040_33,RSM0040.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,7.0,14.0067,2.0,15.0,3.04,71.0,0.3989931097219791,1.1670499339809703,2.111683879387826,3.2774411463138686,4.414437902787957,5.177956550518162,5.580525509723357,5.768759046892407,5.839359814410778,2.863876068080636,0.9807809478417412,0.0661185112620493,6.669517980689815,4.022362307524855,4.190790721481338,1.3895787899672734,3.478293638843405,7.469649953971781,0.515248788415995,7.600283946171365,0.6223414273596792,22.543956078376976,-3.478293638843405,-7.469649953971781,-0.515248788415995,-7.600283946171365,-0.6223414273596792,-18.67594699490262,0.0,0.0,0.0,0.0,0.0,5.0,-6.0,-12.99876,-1.0,-14.0,-0.8399999999999999,-40.0,RSM0040,14.293916522117296,14.92687315421879,15.503006668030308,16.028140210300815,16.5075598158042,16.945985780475542,17.347584345368844,NC1=NN=N[N]1.[Zn]dia.cat0,"linker NC1=NN=N[N]1, nodes [Zn], topology dia"
RSM0927_0,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0060302637842047,0.2041813097252881,1.1095391009359958,2.6861113439326965,4.186113492463209,5.147856673422655,5.642830825130673,5.871780892421264,5.95727126897784,2.1211006149278324,0.1175480711152653,1.2327274641156926e-05,5.514148421247751,2.0810424559113425,3.607108982852606,0.4415011644842857,22.15592239146561,49.69603234202981,2.031010167459996,4.294196851467779,1.7162090421834355,57.18340008445679,-22.15592239146561,-49.69603234202981,-2.031010167459996,3.26048140049196,1.7162090421834355,-57.18340008445679,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0927,20.46925426359593,20.94743192797218,21.32989858988469,21.640034686221487,21.89461577602697,22.10590205007416,22.28300299453307,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_1,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0060297727508421,0.2041446740561151,1.10925177326603,2.685433802093492,4.185183334301593,5.14680943025637,5.641733728456522,5.870662795661412,5.956145642493386,2.120546876982295,0.1175292384170596,1.233367639322965e-05,5.511949803468527,2.0803156485607865,3.605756678893503,0.4413109674067373,22.15548007320682,49.69501179595949,2.0309915732730945,4.294448117455717,1.7160998319644896,57.183409620172704,-22.15548007320682,-49.69501179595949,-2.0309915732730945,3.259617878984905,1.7160998319644896,-57.183409620172704,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0927,20.5001208576209,20.97365977833164,21.35242694608448,21.659573266351,21.911708378061643,22.12097104916556,22.2963806956434,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_2,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0060306289416316,0.2041735248485296,1.1093708662390485,2.685645070505567,4.185433172961923,5.14706767793728,5.641992703578391,5.870921415517841,5.956404026584641,2.120732543751279,0.1175466932832687,1.2332763007052026e-05,5.51253158699032,2.080759659253584,3.6060084131448655,0.4414029572901533,22.15496104020241,49.69386270420653,2.0309392875561234,4.294270034695907,1.716096194001858,57.181891289452864,-22.15496104020241,-49.69386270420653,-2.0309392875561234,3.2598226279841565,1.716096194001858,-57.181891289452864,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0927,20.50351340316327,20.976616355042104,21.355018279464343,21.661857744375,21.91373385064785,22.1227767011688,22.29799869876896,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_3,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0060303241752824,0.2041868443679041,1.1095551750995736,2.686093158464251,4.186026800945967,5.147716118217186,5.642660675064097,5.87159673058811,5.957081829818301,2.121100566131843,0.1175511821750452,1.2327049722297173e-05,5.514025537893894,2.081149024393896,3.6069375724618618,0.4415152417931419,22.155818532473745,49.69579700333868,2.031001985813904,4.29419765323539,1.716194951859073,57.183197348516345,-22.155818532473745,-49.69579700333868,-2.031001985813904,3.260409510410987,1.716194951859073,-57.183197348516345,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0927,20.47198934463017,20.949752052174016,21.33188602872817,21.64175293777304,21.896114053831973,22.10721878635821,22.284168476140763,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_4,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0064795042565933,0.1918275708439658,1.00819486032994,2.4551432344006074,3.8646001773761247,4.782181486289924,5.258097353120793,5.479013270738737,5.561625962263757,1.93216607365013,0.1125725105534584,1.574475527699623e-05,5.52257224190382,1.8085372534751407,3.561607728011267,0.366919444923354,22.89343032753765,51.24654024450561,2.089508966236116,4.364433772415397,1.541701304023762,57.7368745544232,-22.89343032753765,-51.24654024450561,-2.089508966236116,2.2909879169773366,1.541701304023762,-57.7368745544232,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0927,20.727908855812352,21.14724947665364,21.487769158044006,21.767282877498804,21.99901149005755,22.19289640693836,22.356501616462605,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_5,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,30.0,65.38,4.0,12.0,1.65,122.0,0.0064740269633324,0.1917494691359678,1.0079168002487815,2.4545037667414955,3.8636583570210017,4.781088611010288,5.256941172989631,5.477831162052973,5.560434714604829,1.9316555314923631,0.112519482406574,1.571852059741469e-05,5.519319487654747,1.8076821362007809,3.5594750270099875,0.3667041839990753,22.88953507817013,51.2382818761348,2.089046564648396,4.361863031034145,1.5425378097738256,57.723883480889306,-22.88953507817013,-51.2382818761348,-2.089046564648396,2.298422117981064,1.5425378097738256,-57.723883480889306,0.0,0.0,0.0,4.0,1.79,0.0,-29.0,-64.37205999999999,-3.0,-11.0,0.0,-91.0,RSM0927,20.7787571132618,21.190934822945444,21.52561591983845,21.80032882035024,22.02807547630804,22.218629654196818,22.37942630920958,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_6,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407245224949681,0.4873964555213844,1.294348085939281,2.5406043508352774,3.665938960470642,4.370909950434023,4.7303333926715485,4.895949893945376,4.957697917734296,2.1042643684306657,0.3855567119318839,0.0201313859068357,7.671727690166421,1.6953408347658112,5.139904535418709,0.1412758706593812,2.979972099536624,6.532973022119529,0.4885637820156892,5.837512277840076,0.2416250495919406,19.95020476778116,2.979972099536624,6.532973022119529,0.4885637820156892,5.837512277840076,0.214099642791839,19.95020476778116,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.289434516043159,3.935128751218653,4.604569439254679,5.280984065025688,5.951095753955613,6.60518773622878,7.236729418278809,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_7,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1412984415473779,0.4887812511009214,1.2528682788488723,2.36323042266237,3.3498295685990875,3.96894062561752,4.285527232893068,4.431651207805905,4.486172763993985,1.978710127057976,0.3872690023213779,0.0202827654420816,6.596954545133724,1.3572850897436524,4.523728638610769,0.1150060789161292,2.5149272072287387,5.457111143868279,0.3840147051690699,5.031460915327236,0.3100893238152627,14.650326236753235,2.5149272072287387,5.457111143868279,0.3840147051690699,5.031460915327236,0.2955383160395611,14.650326236753235,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.403282388709312,4.053745831057118,4.728926855054723,5.411289362534023,6.08688679708786,6.745530345668493,7.380421201059755,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_8,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140444424416811,0.4769137074694562,1.233290811155505,2.429586900569753,3.5336888396408,4.23219782491162,4.589682846058611,4.754649895207062,4.816190866521301,2.006770841212349,0.3801526747057083,0.0200823164793586,6.969076441764336,1.4751157471476497,4.708160339538972,0.1108296119097393,6.346746214304954,13.673403386036844,0.9841944913190048,14.207423431743544,0.9768737336841526,37.16785585749485,6.346746214304954,13.673403386036844,0.9841944913190048,14.207423431743544,0.9765364340549908,37.16785585749485,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.34402250094023,4.016745575048608,4.711369346150703,5.4101301857622985,6.099176802257149,6.768601444000514,7.411969523940836,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_9,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410536016067418,0.489484507065141,1.336893469999524,2.726603777358071,4.05171770614231,4.910786307289744,5.356187548653048,5.56296098757512,5.640291745479663,2.230123826186559,0.3864223153689999,0.0202341252647565,8.393468228171843,1.985223908132761,5.527260200150764,0.1750490874527445,3.510796667580394,7.602534950987925,0.5826469586669141,8.17120652514209,0.4697187573528963,23.231777842737102,3.510796667580394,7.602534950987925,0.5826469586669141,8.17120652514209,0.469698700377873,23.231777842737102,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.320983616786586,3.984167857106622,4.670837863591081,5.363104125536369,6.046999660489179,6.712492191467994,7.353010854786924,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_10,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407359011612424,0.487286778568236,1.293614194566281,2.5391691221552453,3.6639691261704472,4.368584301945819,4.727813628930445,4.893337368586796,4.955050250102218,2.1030474415828952,0.3855098367920115,0.0201349795743134,7.666417705709845,1.6928325296367772,5.136778454430952,0.1407014958418616,2.975208841326961,6.522505990205864,0.488052124714993,5.834022190668958,0.2413246635598004,19.934882972410573,2.975208841326961,6.522505990205864,0.488052124714993,5.834022190668958,0.2139398061022828,19.934882972410573,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.290185115592062,3.935938608294987,4.605424631810796,5.281871679925356,5.95200406620003,6.606106380164678,7.237649476686953,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_11,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141255046523822,0.4886816414821949,1.2526507751291267,2.363074869618398,3.349951834194326,3.9693094853004585,4.286036788302623,4.432228303977244,4.486775432135848,1.978498955640404,0.3871880094322095,0.0202705596139114,6.595925205631486,1.3568079450510897,4.523075697270633,0.1148721612761029,2.532583484759428,5.497206795398763,0.3855502310611644,5.021147920564632,0.3086171153981654,14.694450482145957,2.532583484759428,5.497206795398763,0.3855502310611644,5.021147920564632,0.2930118498278673,14.694450482145957,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.403303879116056,4.053774926426337,4.72896546689086,5.411339124236364,6.086948535791921,6.745604059985562,7.380506243420785,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_12,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.140444767444646,0.4769482675672392,1.233557233024501,2.4302287034539707,3.5347292495765648,4.233537531914659,4.5911912593531214,4.756239735868361,4.817811660257238,2.0072778433485974,0.3801686987154018,0.0200823628433261,6.971147945938328,1.4760343523398065,4.709196446194475,0.1109622319090102,6.347743471489696,13.6757344460148,0.984481209530345,14.210146313663133,0.976688881865267,37.18329154029001,6.347743471489696,13.6757344460148,0.984481209530345,14.210146313663133,0.976336702877737,37.18329154029001,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.3440589313725457,4.016651209277572,4.711167427728909,5.409843088831264,6.098824769987122,6.76820198738086,7.411537285829524,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_13,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410507299229851,0.489336509286172,1.3359866322104237,2.724517023921416,4.048429600510271,4.906676664097408,5.351643978915998,5.558214791627745,5.635469625229394,2.228462254032064,0.3863465372917486,0.0202337276124105,8.386046768669189,1.9818714452735984,5.523103892214406,0.1744341561722369,3.510002808970511,7.60072490401772,0.5823717262318232,8.167516040363312,0.4697702229965467,23.21691095899427,3.510002808970511,7.60072490401772,0.5823717262318232,8.167516040363312,0.4697319697511191,23.21691095899427,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.321727550803412,3.985199283549884,4.672112893527673,5.3645834096385165,6.048646945900402,6.714273944079143,7.354896366892269,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_14,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407882645383793,0.4874023145269976,1.2939053796067304,2.5396405440206182,3.664568305833959,4.3692657005535205,4.728539471945005,4.8940843981040345,4.95580530018815,2.1034643478865225,0.3856040687383418,0.0201497147024422,7.668208399041745,1.69360623516497,5.137784792629654,0.1408452266825239,2.974139255836519,6.520183279416288,0.4879529305723219,5.833224188833833,0.2412053625255313,19.932627939477857,2.974139255836519,6.520183279416288,0.4879529305723219,5.833224188833833,0.2138484015079268,19.932627939477857,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.289883938734669,3.935657525712337,4.605163521052088,5.28163010083622,5.951781261529222,6.60590135466086,7.23746108943398,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_15,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.141215852507488,0.4886170928499468,1.2525631268552415,2.362947317556604,3.349760835613427,3.969067766538498,4.28576688589752,4.43194499821369,4.486487069720742,1.9783888021910925,0.3871284227620793,0.0202594288700817,6.5956645767500905,1.3567007391248846,4.522948040311713,0.1148586965758401,2.5216275731913447,5.472603585195781,0.3844973920068714,5.022114941981121,0.3089759554454843,14.662936382831305,2.5216275731913447,5.472603585195781,0.3844973920068714,5.022114941981121,0.2939035520171101,14.662936382831305,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.403186282644995,4.053688819419842,4.728904972663042,5.411299408947777,6.086925566962881,6.7455944691136365,7.38050722745408,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_16,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404465562300496,0.4769553805455307,1.2335653398299504,2.430200586668964,3.5346238501984986,4.2333617363568425,4.590973382883679,4.75600112137881,4.817565101146164,2.0072679957855395,0.3801741845853037,0.0200828141219389,6.971031225229513,1.4759833946425047,4.709162803375002,0.1109656866580176,6.346604517216656,13.673182481693305,0.9842197091407068,14.2070480988357,0.9766936308597426,37.170599110413136,6.346604517216656,13.673182481693305,0.9842197091407068,14.2070480988357,0.9763449284631408,37.170599110413136,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.3440687652675467,4.01671807650014,4.711283267752026,5.409999722739054,6.099014305102324,6.76841713866987,7.411771570769418,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_17,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410173861978123,0.4892993659031088,1.3360498681149369,2.7247278559376533,4.048762298389877,4.907089460652779,5.352099646607101,5.558690731705344,5.635953209837705,2.2286246652054342,0.3863039388955735,0.020224241876,8.387376145312759,1.9823972610398173,5.523821484022841,0.1744835750482635,3.51047265896829,7.6017510553773,0.5824808109952534,8.169143557067674,0.4698204383444181,23.22202122093172,3.51047265896829,7.6017510553773,0.5824808109952534,8.169143557067674,0.4697896490861108,23.22202122093172,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.3215131009103467,3.984965391649659,4.671865311471132,5.364327189980581,6.048386377581581,6.714012548854484,7.354636946575627,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_18,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1407181885373705,0.487419745411654,1.2944980158007189,2.5408755919137853,3.666288776742432,4.371308683171139,4.730758422517819,4.89638745393176,4.958140221858786,2.104500280266039,0.3855653235460837,0.0201294003955197,7.67307306285347,1.6957974059898606,5.140721212580877,0.1413413653148218,2.978854172099372,6.530532210577771,0.4884080381173071,5.835766886210744,0.2415186968698347,19.94450945917902,2.978854172099372,6.530532210577771,0.4884080381173071,5.835766886210744,0.2140094885386491,19.94450945917902,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.289329885465927,3.935023799904956,4.6044633356804825,5.280876952998234,5.95098825308225,6.605080636817778,7.236623511093049,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_19,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1413168980397297,0.4888297284579014,1.2529922366584865,2.363441163344544,3.350109516015824,3.969263006743729,4.285871223146141,4.432005164309114,4.486530438507057,1.9788925666776176,0.3873072203618565,0.0202878860921505,6.598018137731895,1.3575537565657971,4.5244683539933,0.1150528849488123,2.517447342851024,5.462803463269998,0.3842447722262457,5.030587135307078,0.3099406498008797,14.65707062775356,2.517447342851024,5.462803463269998,0.3842447722262457,5.030587135307078,0.2952525492320867,14.65707062775356,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.4033353617501603,4.053821167107804,4.729021693575793,5.411400382852266,6.087010623291717,6.745663798616048,7.380561433291826,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_20,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1404324816689218,0.4768908762095939,1.2332056356235483,2.429433512642818,3.5335179859286048,4.232033451815857,4.589526214036704,4.754497760426577,4.816040553193411,2.006635007378362,0.3801343409913587,0.0200788763024473,6.968872368818242,1.4748720114436515,4.7081794174544855,0.1107849164434211,6.346541140403463,13.672956932786128,0.9841582516005036,14.206929667360304,0.976850621924988,37.16634368697095,6.346541140403463,13.672956932786128,0.9841582516005036,14.206929667360304,0.976513354438514,37.16634368697095,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.3438842944837828,4.01665908643261,4.711325264968564,5.410120585619481,6.099194913251711,6.768641520179115,7.412026736767816,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_21,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1410662807516511,0.4895040506835989,1.336982252180953,2.726771354287031,4.051905180679481,4.910972501525038,5.35637096525234,5.563142830611175,5.640472966775486,2.230271957073331,0.3864385283179135,0.0202378620839239,8.394359815184096,1.9856204645331843,5.527716516079703,0.1750984313379492,3.511170324568272,7.603341478916552,0.5827069723479332,8.172066996080511,0.4697735833772832,23.23410636506281,3.511170324568272,7.603341478916552,0.5827069723479332,8.172066996080511,0.4697537019963701,23.23410636506281,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.3209216781786446,3.984099636582168,4.67076463743371,5.363027191452864,6.046920250083943,6.712411411521636,7.352929657559126,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_22,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.1395177196730493,0.4696561487314848,1.2718639680151096,2.8767033132232074,4.587674787362205,5.734807598730304,6.334931934588338,6.61426983454764,6.71882811975914,2.271142372528717,0.3758628345470337,0.0198285128624463,10.20846593321362,2.361200311803245,6.632889366359385,0.1657164103658317,4.1704767509914,9.126903171670218,0.7786057249264615,10.316825296734152,0.3827572171637739,33.701086718357004,4.1704767509914,9.126903171670218,0.7786057249264615,10.316825296734152,0.380596574805778,33.701086718357004,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.266980475105576,3.9206154299333735,4.597931172428945,5.281816995587447,5.958754554803877,6.618913743432575,7.255757692148649,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_23,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2058236412186238,0.4994253761431868,0.9463643737223412,1.821873641231456,2.853355233629079,3.589540036153527,3.9860557184762544,4.172974600393927,4.24330282703112,1.480551883428172,0.4311349165127556,0.0433779209864763,3.7463350570287655,0.8445037165301416,2.297127218155357,0.0330825080539114,6.162852608994524,13.369969484515623,1.0174660334492531,13.935794174154232,0.7759473957284758,40.63541773131541,6.162852608994524,13.369969484515623,1.0174660334492531,13.935794174154232,0.7663410773313865,40.63541773131541,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,5.0,11.00276,1.0,11.0,-0.5500000000000003,35.0,RSM0927,5.943373527382094,6.930832899493826,7.846240424282922,8.681584365648087,9.436187339307851,10.113624282061972,10.719655977651092,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_24,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.139520135446132,0.4696578515370183,1.2716675914729043,2.876005637867134,4.586639009039479,5.733641823399818,6.333722597773442,6.613045221466916,6.717598555075831,2.2706147009483173,0.3758674818908641,0.0198291563322613,10.204945552668391,2.3596408496052312,6.631123402085199,0.1655033369342892,4.17158084129505,9.12933872413681,0.7788970131044046,10.32107350656556,0.3828327760371913,33.71545264961124,4.17158084129505,9.12933872413681,0.7788970131044046,10.32107350656556,0.3806934478581152,33.71545264961124,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,0.0,0.0,0.0,0.0,-0.5500000000000003,0.0,RSM0927,3.266891712131,3.920616155633398,4.597980518338398,5.281889827998439,5.958835906748865,6.618995053504479,7.255834350120606,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_25,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,1.0,1.00794,1.0,1.0,2.2,31.0,0.2058228755044337,0.4994216069755969,0.9464049857548172,1.822091700860437,2.853702730369659,3.589932394785258,3.986459880451807,4.173381782000369,4.243710754057263,1.4807058541801743,0.4311322447866886,0.0433776148745928,3.746793604966156,0.8449002368224502,2.297196992217142,0.0331099991193652,6.150909783916327,13.34507054624467,1.0170733777874783,13.928955872679104,0.7726903542363768,40.66254143677909,6.150909783916327,13.34507054624467,1.0170733777874783,13.928955872679104,0.7632999964532635,40.66254143677909,29.0,64.37205999999999,3.0,15.0,1.2399999999999998,91.0,5.0,11.00276,1.0,11.0,-0.5500000000000003,35.0,RSM0927,5.943410694061542,6.931341386369657,7.847054135957575,8.68258755316293,9.437300367985388,10.1147929244368,10.720843705178613,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_26,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1537463950499955,0.775049016609787,1.8835922072651297,3.435447392799216,4.901815953288275,5.857713042281127,6.355025258089372,6.58627294892148,6.67281594910009,2.886739019948436,0.5980725602580914,0.0093011073891491,7.981335107107099,4.221851330212259,4.568748199850054,1.2382730152188943,2.127442309709612,4.437615801377866,0.1617737952783768,3.113021406698019,0.5944142266899046,12.946853658399773,0.6721313386303729,1.235128333347507,-0.1292883989374708,-0.7032725144489066,0.4779240303609504,-12.199689542558934,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0927,6.617019089727665,7.412589805465052,8.205827005976266,8.989902102733401,9.75904698413386,10.508324178474384,11.233616656448,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_27,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0984252519001547,0.701197808790574,2.115286511368977,4.048619185404806,5.696579831708153,6.70094829916892,7.206360194643272,7.437869039184559,7.52397060751453,3.3894140610413097,0.5064042905476711,0.003451610361342,11.989727401282552,5.359751715367204,7.38066227456354,1.5884313096142528,0.8978245772549197,1.9128458257371592,0.1185918469159466,1.846559352582493,0.1771722239110392,6.860959824593533,-0.288093891904547,-0.6968294334086432,-0.1185918469159466,-1.2368286672321205,0.0941579310698766,-6.860959824593533,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,7.594529177039833,8.422990833382249,9.23794802282143,10.035041407109588,10.809746365840864,11.55790263909861,12.276074486963124,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_28,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.098691419046365,0.6996472680542247,2.174562943196692,4.300577067861122,6.121203532934348,7.218556560653618,7.766125468118596,8.015852606466806,8.108552604237193,3.5703184361133107,0.5050464325995727,0.0034735349054167,13.812532378603144,5.9390379402923,8.500635885015926,1.6659779660495768,1.1651428875079686,2.5488529394390174,0.2183783103340413,2.912169370180299,0.1090292530647184,10.19328064422067,-1.0186402158324448,-2.256675336182936,-0.2183783103340413,-2.765666698504776,-0.0438355641691103,-10.19328064422067,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,7.287275345677167,8.137125769575027,8.97389765924816,9.791905467856528,10.585998703537436,11.351801241375568,12.085882532560118,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_29,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179711894953399,0.9167694453850124,2.169631822234843,3.773481913172138,5.14334806259477,5.986435062448571,6.4132668222573415,6.609354413035428,6.682373246280355,3.228468221229698,0.7184390804780963,0.0233132965628122,10.026648929402052,5.09799065098925,6.00042554163462,1.706829426914674,2.114472717227822,4.653007166841118,0.4228945434455645,5.497629064792338,0.1480130902059474,19.030254455050404,-2.114472717227822,-4.653007166841118,-0.4228945434455645,-5.497629064792338,-0.1480130902059474,-19.030254455050404,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.657316164006124,10.448042868259172,11.203965253236976,11.924661500455583,12.609953647229496,13.259856411838909,13.87461306924822,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_30,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187397988854554,0.917281575074628,2.1477117453929715,3.653060099315684,4.879181705467849,5.612283366781854,5.9783372300995445,6.145481403564214,6.207566736189272,3.150712676701373,0.7194584586843571,0.0234824546906837,9.096734423526176,4.827668053799321,5.499508628860594,1.691999761836347,2.3765177626892666,5.228608501664341,0.4742924914840803,6.17085769456191,0.1682519828640728,21.36843864312794,-2.366407152151537,-5.208444405538419,-0.4742924914840803,-6.16074708402418,-0.163752761174783,-21.36843864312794,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.668964098829171,10.425049009934453,11.1566649787779,11.860935701045316,12.535602476640134,13.179052735842829,13.790313520965771,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_31,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1008691932569401,0.7270498166187221,2.1607895221230984,3.91574627469098,5.2644395078678174,6.039567933101411,6.419103537628881,6.590886318883152,6.654462586594104,3.341862399316937,0.5230781519643021,0.0036589654361479,10.30805380125454,5.124979833043231,6.322419260852382,1.7039392845728465,1.1107255389334876,2.438347798431978,0.2164598984102743,2.842404726215683,0.0884105553061375,9.882825662872923,-1.0538734451692555,-2.324964825233282,-0.2164598984102743,-2.785552632451451,-0.0631113735810543,-9.882825662872923,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,8.087223430122613,8.839376301155367,9.582742467008426,10.31442497974566,11.030586497636456,11.727211397419302,12.40064529039588,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_32,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2157863352731693,0.8905517038288389,2.085205798155317,3.679109688763832,5.060657298412187,5.907731723478007,6.3345393823168274,6.530085693906499,6.602814205800141,3.131815818089948,0.7020200541227266,0.0231327161771843,9.836343172928018,4.768381031270391,5.990154366834118,1.578991160203709,2.208450375737112,4.836743804954595,0.4193177545351523,5.562992412018329,0.1965396274496039,19.428606969388607,-1.9847271696144115,-4.390561428823789,-0.4193177545351523,-5.33926920589563,-0.0969828007250024,-19.428606969388607,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.28231839104939,10.099945841349578,10.887647705814656,11.642032087245308,12.360734100872838,13.042347136929603,13.686307158357064,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_33,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1557795308966104,0.7733224333047779,1.8245661579102792,3.1262874628741817,4.252768047986326,4.958726172698508,5.32009486446721,5.487003719460548,5.549300417653935,2.683549262169517,0.5979777563560256,0.009957473938871,6.328760562711135,3.508149320257407,3.695457563668601,1.1918377093960335,1.8029509759891944,3.757375031733887,0.1537047769184372,2.9973958510727123,0.508532100177548,11.98327039752278,0.2844260174700743,0.4157818972147203,-0.1500002147853867,-0.95447360321005,0.4005683001213371,-11.898065468462615,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0927,6.990464186169748,7.767706780796888,8.54119693768844,9.303694336154686,10.04959859871546,10.774486597265646,11.474893569062033,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_34,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1018207209200843,0.725330370274456,2.232900083801031,4.337341238401796,6.16133006279586,7.289861299350726,7.8630210712191,8.126767140060288,8.225052460156409,3.615962245626043,0.5223789252418134,0.0036862579270569,13.512910944369528,6.213684565659586,8.17697031393993,1.79445659015228,0.9286553761756616,2.00064325797293,0.1441105406320002,2.081539701231664,0.1430443787131689,7.525487693518314,-0.5124500301443407,-1.1705841261153649,-0.1441105406320002,-1.6653343552003428,0.0421670002707689,-7.525487693518314,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,7.430047073495881,8.277418308215102,9.105552595131313,9.910693743195669,10.689529032576049,11.439161765303906,12.157227236410906,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_35,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216776143079764,0.897514803331708,2.1566149929280347,3.9143088074503902,5.469207983516683,6.431209876216511,6.917972228861577,7.141414266369063,7.224584487365592,3.3048929352075374,0.7058812360148451,0.02331876205936,11.245373944345015,5.337110199848572,6.722673685247764,1.6828482011802364,1.9322705852941988,4.217610964731853,0.3530393720239064,4.756585561485451,0.1979115879110937,16.722140366949127,-1.5981231349448657,-3.55120399712766,-0.3530393720239064,-4.422438111136118,-0.0492159725056404,-16.722140366949127,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.432690651900543,10.211621404334393,10.9670501021311,11.69532872590889,12.393306642391392,13.058668876643724,13.68999970976668,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_36,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1537710069483011,0.7750675679010837,1.8834987812489536,3.4352877804064565,4.901796824892782,5.857858023809549,6.355270921480313,6.586568247957799,6.673130234340483,2.8865751804689497,0.5980984021155515,0.0093056884606251,7.979794334679212,4.221287039549486,4.567935440224064,1.2381735602753816,2.1278199602191954,4.438455311694214,0.1618440828851669,3.1138082071275126,0.5944261892688197,12.949688210280264,0.6718867188270093,1.234598505482155,-0.1293425653932703,-0.7041197379840678,0.4778851795000133,-12.202153307966642,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0927,6.617774644191599,7.41355799565982,8.206973320024145,8.991194033317282,9.760454336558722,10.509819476839958,11.23517543343951,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_37,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0984022873543785,0.7011175488088494,2.1151684362353294,4.048493059812631,5.696463956133683,6.70084634768974,7.206267738663933,7.437781527042702,7.523885032065808,3.3892879012096144,0.5063361618775802,0.0034502933232933,11.988733651149904,5.3592279071718325,7.380096012490947,1.5882149451429126,0.8984024853229188,1.914109483845466,0.1186996122653545,1.8479993834457555,0.177227332971159,6.866004671921686,-0.2885936373306268,-0.6979372078520389,-0.1186996122653545,-1.2381905354534632,0.0941376043854108,-6.866004671921686,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,7.597353028318653,8.425994304452121,9.24112149739978,10.038367799482154,10.813202057076197,11.561459840445572,12.279703772431295,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_38,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.098694475873466,0.6996124225485704,2.174287538123703,4.300002822764714,6.120439704085625,7.2176959542466195,7.765219745600949,8.014926850953723,8.107619488728705,3.569835391728824,0.5050324788406245,0.0034738710991645,13.807965135948765,5.937499093131,8.49838566262655,1.665595902501298,1.1651015924428825,2.548826549387641,0.2184325937664807,2.912562342574728,0.1089090953249311,10.194159837544026,-1.019224345221925,-2.257896261392525,-0.2184325937664807,-2.7666850953537714,-0.0439937203116051,-10.194159837544026,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,7.287786231283072,8.137900001229664,8.974894709528348,9.79309119805113,10.58734210567466,11.353273377266156,12.087456472129,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_39,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2179706178509152,0.916721421968573,2.169324714935149,3.772798468492076,5.14240353421913,5.985350537348497,6.41211563850746,6.608173386828925,6.681181222177247,3.2279042459523213,0.7184112288385661,0.023315821250925,10.022516179850566,5.096543194119271,5.997895389583309,1.706371347724624,2.1146377108553622,4.653370243898189,0.4229275421710724,5.498058048223942,0.1480246397598752,19.03173939769826,-2.1146377108553622,-4.653370243898189,-0.4229275421710724,-5.498058048223942,-0.1480246397598752,-19.03173939769826,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.655853466714271,10.446849082950612,11.20300469579968,11.923903251888152,12.609370164332296,13.259422940209593,13.874307409748752,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_40,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186924668995808,0.9172088879411388,2.1476091752213216,3.652852047605169,4.878820411272471,5.611807942570531,5.97780027879196,6.144915561304029,6.206990050042134,3.1505503560990045,0.7193890947143514,0.0234698180301569,9.09522184663819,4.82721346765975,5.498437898710986,1.6918276011755924,2.376441990738989,5.228479201421466,0.4743136508774532,6.1709511977586144,0.1681785904836251,21.36848297124401,-2.366694518035543,-5.209039329235349,-0.4743136508774532,-6.161203725055169,-0.1638409651305918,-21.36848297124401,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.668621763957365,10.424862757278364,11.15661014851454,11.860992921487036,12.53575519217218,13.17928613821643,13.79061416623968,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_41,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1008907304258432,0.7271015622261041,2.16081624404284,3.9157566719451258,5.26446753320014,6.039616198051694,6.4191637534617065,6.590952303560466,6.654530757188717,3.3418733290862725,0.5231276478142383,0.0036605757518952,10.30811127976022,5.125010446737958,6.322559511441885,1.703965650519638,1.1103202125147993,2.437484485196308,0.2164066006803211,2.841573017957369,0.0883301182934834,9.879733076180422,-1.0537457942884123,-2.3246552942065137,-0.2164066006803211,-2.784998599730982,-0.0631545021827412,-9.879733076180422,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,8.090440137981268,8.842692987781255,9.586140125644478,10.317886086537923,11.0340924819321,11.73074255892341,12.404181673727612,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_42,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2157861662875686,0.8905716643992677,2.0853567867252893,3.6794240486458873,5.061062277825576,5.908173705414874,6.334995739962142,6.530547794756472,6.603278315143232,3.132081526274477,0.7020290599267307,0.0231327571405722,9.837379202508751,4.769056800033694,5.990378392931821,1.5791863142507296,2.209694385152065,4.839554029882833,0.41963708679335,5.566791079498865,0.1964944636551373,19.441213661627327,-1.986676482781436,-4.394778276289969,-0.41963708679335,-5.343773177128235,-0.0972514971002074,-19.441213661627327,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.2836172071977,10.10090664308066,10.888333388113674,11.642496130262082,12.361021069976603,13.042493628116702,13.68634292154784,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_43,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1557755378184268,0.77333851191863,1.8246172479447853,3.126219003173087,4.252398095519845,4.958083563604129,5.319290824228382,5.486120499007471,5.548386923971426,2.683549215467934,0.5979868418149086,0.0099551984390572,6.32806713108757,3.5080314061241182,3.695010319640103,1.1918498293491222,1.8040622605185808,3.759906677055004,0.1539747708176055,3.000258833478973,0.5084555998769654,11.99300193820366,0.2830522331743429,0.4128450193625858,-0.1502272346512421,-0.95811477378241,0.4002985066880052,-11.906808606377302,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0927,6.987357079311495,7.765434002224614,8.539462038015378,9.302299512894704,10.048413660114196,10.773427432849797,11.473907164710116,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_44,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1017852103524553,0.7252062817046674,2.232535754589354,4.336560602553463,6.1601631951048565,7.2884511797901395,7.861487248099487,8.125176467316724,8.223440621609315,3.615329349017793,0.5222796173727464,0.0036835897166735,13.50653288902579,6.211446333467872,8.1735611999285,1.7939502740832542,0.929190754878457,2.001852908254889,0.1442481898944124,2.0831762740337565,0.14302452986889,7.530917572280535,-0.5132911440656674,-1.172403519430402,-0.1442481898944124,-1.667276663220967,0.0420507969428014,-7.530917572280535,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,7.433744002158883,8.281551741757053,9.110145147133355,9.915745709320875,10.695016494049016,11.44504100913939,12.163441397444048,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_45,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.216739947390262,0.8973570134279089,2.155987748744028,3.913063977307584,5.467524879843758,6.429266805173691,6.915894620531125,7.13927364796821,7.2224201769355,3.30384190748534,0.7057674342019533,0.0233155867134578,11.23848521964091,5.333837453368494,6.718902970723034,1.681919292993173,1.932534926338116,4.218276900248819,0.3531739458457217,4.7579264931038905,0.1977768937597332,16.72615354860502,-1.5992045321191013,-3.553499428538128,-0.3531739458457217,-4.424596098884876,-0.0494448683322717,-16.72615354860502,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.431326179136963,10.21078486110858,10.966644124239584,11.695276776953158,12.393545824469872,13.059146096589638,13.690669600751937,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_46,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1537526988140856,0.775049714089749,1.883527276167738,3.435393352715773,4.901982637275191,5.858101106633202,6.355545255623959,6.586857428238029,6.673425019880658,2.8866528701527217,0.598076698967538,0.0093024996833687,7.980794467485276,4.221433773982616,4.568565311337484,1.2382079599354994,2.127739913624472,4.4382775292105565,0.1618214702207506,3.113490170856705,0.5944239082584919,12.948664458936054,0.6720628453821085,1.2349844453356875,-0.129313943427722,-0.7037777333664678,0.4778981264246637,-12.200991342696398,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0927,6.614744988850116,7.411238083677022,8.205185727755111,8.989807353706505,9.7593703591062,10.50896447662582,11.234493968660844,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_47,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0984147357094009,0.7011686126138528,2.115293868549616,4.048709065614705,5.696730759130817,6.701131961360832,7.206559664586849,7.438075685776493,7.524179919164808,3.3894763654470084,0.5063768482354686,0.0034509976192235,11.9897944989732,5.359876383579365,7.380592072848245,1.5884204001484552,0.897907991279124,1.9130673805958875,0.1186453848055463,1.8470710697234944,0.1771089596088108,6.862447652506546,-0.2885458567763391,-0.6977860076502583,-0.1186453848055463,-1.2377089352207096,0.0940571902449284,-6.862447652506546,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,7.595749001379638,8.424545145377792,9.239798601161468,10.03714996925935,10.812073450327802,11.560408467575536,12.278720401325169,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_48,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0987094663114416,0.6996896046256609,2.1745068001601053,4.300343419557144,6.120828414746962,7.218098611594744,7.765626330148846,8.01533466276889,8.108027673030989,3.570144242647672,0.5050896466786857,0.003474739347998,13.809789043734003,5.938582358347867,8.499186125197706,1.6659345412089546,1.1650712389573323,2.5487358727423985,0.2184033591602827,2.912298112239593,0.1089504029104828,10.193423377992316,-1.0189623526454945,-2.2573436153263846,-0.2184033591602827,-2.7661892259277563,-0.0439319485017149,-10.193423377992316,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,7.2873801132695,8.137481805572314,8.974464664898282,9.792650415366712,10.58689248223179,11.352817350421496,12.086996744350577,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_49,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2180304960132599,0.9168120956923204,2.169458281648407,3.773016074880043,5.142682340371936,5.985662076038877,6.412442635877463,6.608507266204359,6.681517630826447,3.2280942232875414,0.7184988084875238,0.0233312047195453,10.023740851180117,5.097161102103534,5.998576465752335,1.7065779958511214,2.1147993080014698,4.65372584682125,0.4229598616002939,5.498478200803821,0.1480359515601027,19.033193772013224,-2.1147993080014698,-4.65372584682125,-0.4229598616002939,-5.498478200803821,-0.1480359515601027,-19.033193772013224,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.655205102230976,10.446301580407882,11.202539830504673,11.92350612148494,12.609028620217002,13.259127131401208,13.87404937981397,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_50,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2186450182418171,0.9171414510402462,2.1475760329895524,3.652882893036788,4.878921307416033,5.611956284354973,5.977973226973704,6.145099872226961,6.207178596588214,3.1505570787409662,0.7193206339739978,0.0234579754689412,9.09575347194283,4.827170935444312,5.498891344211597,1.6917825719594817,2.376691155417739,5.228986449396457,0.4743236666851825,6.171280488899199,0.1682706891261763,21.36992911079233,-2.366545511434086,-5.208752484317659,-0.4743236666851825,-6.161134844915545,-0.163755877553451,-21.36992911079233,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.667817568134318,10.424212970203696,11.156082008758318,11.860561492186951,12.535401192857645,13.178994502259558,13.790373025833604,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_51,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1008812523875426,0.7270700829260136,2.160746356257244,3.9156606517970776,5.264366046960105,6.0395163892011325,6.419065960164423,6.590855675107181,6.6544345994739125,3.341783258200354,0.5231023425809478,0.0036597064741055,10.307783947242555,5.124705399781275,6.32248472608113,1.7038486161333368,1.109748662392791,2.4361725189800354,0.2162396816102392,2.8396661152747047,0.0883887517455933,9.87353694416874,-1.0526481537096013,-2.322294119487716,-0.2162396816102392,-2.782565606591515,-0.0629790253815739,-9.87353694416874,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,8.089215624373018,8.841566782434633,9.58511190022135,10.31695206241589,11.033246783939653,11.7299782415645,12.403491425347733,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_52,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2157902923937392,0.8905833884574489,2.0853656808303134,3.6794301394048894,5.061089247993548,5.908223959427984,6.3350603350098185,6.530619491986399,6.60335273528822,3.1320857227967425,0.7020391563301656,0.0231333794094725,9.8376037703778,4.769064937536519,5.990599390194197,1.5791961292979853,2.208683062783,4.8372738008860185,0.4193817078638829,5.563736725694064,0.1965232606936542,19.43104947119265,-1.9851340158558293,-4.3914387591468165,-0.4193817078638829,-5.340187678766894,-0.0970439348110634,-19.43104947119265,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.28321785510014,10.100714451701764,10.888298113438148,11.642579483493709,12.361193681215584,13.042732831580636,13.686631138136162,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_53,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1557859510808831,0.7733543346724092,1.8246074138476764,3.126197285376686,4.2524073025860645,4.958130863718748,5.3193626067708095,5.486204647637823,5.54847585333643,2.6835261173940403,0.5980038087804679,0.0099570558081211,6.327863016923165,3.507987360254159,3.6948817940237983,1.1918345995242672,1.8035777799142008,3.7588236536090665,0.1538623954241065,2.9988857181185606,0.5084523551709194,11.988363132487658,0.2836860494565523,0.4142228663670273,-0.1501159506674231,-0.9565792258280088,0.4003740338983765,-11.90219490308394,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0927,6.986033288277054,7.764257819172203,8.538433815180333,9.301411911310671,10.047655135588036,10.772784600709125,11.473366299507466,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_54,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.101797439278637,0.7252654364590795,2.232702776879345,4.336861782524638,6.160560017536517,7.288900387521802,7.861961580050517,8.125662075206254,8.223930388818466,3.615587764189055,0.5223246879725768,0.0036841870747928,13.508336216405723,6.212421397456997,8.17432634604005,1.794240019151993,0.9293388132146744,2.002187054413186,0.1442858869249569,2.0836259086143296,0.1430197338962359,7.532411804572509,-0.5135200560348943,-1.1728989160316914,-0.1442858869249569,-1.6678071514345494,0.0420196130487662,-7.532411804572509,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,7.433222583461361,8.281048565844156,9.109653107981652,9.915260345734742,10.694535443740069,11.444563447838734,12.162967533304853,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_55,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167105892645782,0.8973365805580756,2.156085892904944,3.913339586582033,5.4679197468328224,6.429717023006636,6.916367802810341,7.139756284230386,7.2229061610390595,3.304060486350929,0.7057382649584464,0.0233064184992253,11.240034552650492,5.334549207813485,6.71971258213815,1.682048944861504,1.9323878796663392,4.2179451627486015,0.3531366280986979,4.757480904455923,0.1977814287664621,16.724671960305653,-1.5989784013206405,-3.553009969609857,-0.3531366280986979,-4.424071426110224,-0.0494142109026261,-16.724671960305653,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.430965722056152,10.210416269178513,10.96626591211803,11.694888513857872,12.393148122194216,13.05874038611105,13.690257846937683,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_56,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1537720688308844,0.775081878030856,1.8835945228487296,3.4354663361284112,4.901905439985605,5.857863666264003,6.355210467815552,6.586474711113065,6.673023971400639,2.886743289030751,0.5981083825053102,0.0093052322696821,7.981401054686067,4.221921437787239,4.568796535463026,1.2382868902958823,2.127238783099049,4.437165243342471,0.1617372045299132,3.112601634795505,0.5944044012804003,12.945333652464958,0.672253466506679,1.2353943949444983,-0.1292598587885606,-0.7028375340860085,0.4779406235353258,-12.198354700413848,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0927,6.617393826839972,7.413051977507953,8.206333340622386,8.990424890089173,9.7595688145005,10.50883438663896,11.234108966631242,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_57,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.0984245197068179,0.7011987910626962,2.115297450777783,4.048619494412783,5.696578073466045,6.7009511872741,7.206367011032512,7.437877984992545,7.523980396138659,3.389418079532617,0.5064028924809119,0.0034518502858291,11.989979607348069,5.359726861790569,7.380955750767446,1.588444714826987,0.8979947848109398,1.913210641888192,0.1186164467856706,1.8469263590963048,0.1772018415177356,6.862302859768112,-0.2881696830457671,-0.6970059501828201,-0.1186164467856706,-1.2371012573311324,0.0941703287677662,-6.862302859768112,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,7.593716214507665,8.422319379145824,9.23738185103034,10.034555166517167,10.809322093949769,11.55752742263153,12.275738891808867,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_58,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.098698552078293,0.6996756167236422,2.174657476405444,4.300738564772583,6.121394367833109,7.218756103743583,7.766327403711237,8.016055258674058,8.108755466594303,3.570461465195024,0.5050670415486491,0.0034743948243206,13.813421635060983,5.9395018334037,8.50100014115352,1.6661034212613466,1.1651892765612806,2.5489660641040905,0.2183982991378364,2.912375669663972,0.1090124171863264,10.193912365563133,-1.0187937148170836,-2.257002075539552,-0.2183982991378364,-2.765980107919775,-0.0438663922101589,-10.193912365563133,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,7.287291500366994,8.137132626053711,8.97388836856933,9.791876977042964,10.585950519525891,11.351734461951446,12.08579914208587,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_59,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.218006595597066,0.916891002349664,2.1698510027808307,3.773782133189967,5.143689470205007,5.986794220740331,6.413633460921227,6.609724210334958,6.682744178960767,3.228745817156033,0.7185410273084236,0.0233146985240213,10.027962821086753,5.0988565628366365,6.001076488917745,1.707144754325444,2.1144720507898653,4.653005700309739,0.4228944101579731,5.49762733205365,0.1480130435552904,19.030248457108787,-2.1144720507898653,-4.653005700309739,-0.4228944101579731,-5.49762733205365,-0.1480130435552904,-19.030248457108787,0.0,0.0,0.0,0.0,0.0,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.657330401822948,10.448126166134704,11.204087918078011,11.92480383804642,12.610102938043385,13.260004697716052,13.874755588649933,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_60,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2187754258008298,0.917369519142604,2.1478765930503045,3.6532973360620944,4.879471328160576,5.612604855315472,5.978674970230697,6.145826642482049,6.20791477272517,3.150927663313269,0.7195334539789534,0.0234890425672615,9.09795228203023,4.828328513203991,5.500235718216845,1.6922785076536102,2.3766589091387886,5.228909315445515,0.4743112287994995,6.171148739534785,0.168279660567699,21.369519121683936,-2.366453378856207,-5.208555916126449,-0.4743112287994995,-6.1609432092522045,-0.1637381995919503,-21.369519121683936,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.668527683864731,10.424674418414003,11.156338472047128,11.860647023645296,12.535344000522786,13.178818776802862,13.79009981669224,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_61,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1008786543523259,0.7270861852221524,2.1608877970202376,3.915895617527549,5.264605182370326,6.039736414556728,6.41927216552395,6.591054805213229,6.65463099170214,3.341999059875561,0.5231060992549392,0.0036597948190213,10.308862652884418,5.125406499049072,6.322898252727426,1.7040999565070942,1.1101325416557255,2.437040820628208,0.2163393043492426,2.840846976449666,0.0883727853819676,9.87744879526348,-1.0532605018367014,-2.3236180680151377,-0.2163393043492426,-2.783974936630642,-0.063064727662502,-9.87744879526348,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,8.086895936209402,8.839094146993626,9.582490881615843,10.314194008923408,11.03036970753471,11.727004792156723,12.400446493691764,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_62,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2158023976277012,0.8906091567861805,2.085248878392944,3.679114529784157,5.06063733233538,5.907698091929447,6.33449893854712,6.530042116881842,6.60276945989451,3.131832417278164,0.7020713954102537,0.0231315031518431,9.836476822179854,4.768492019878652,5.990320758268491,1.5790626330588022,2.2086774101671063,4.837235166456316,0.4193551696778379,5.56351876758981,0.1965705043784159,19.43049044439229,-1.9848742866112727,-4.39089340699274,-0.4193551696778379,-5.339715644033976,-0.0969781143960702,-19.43049044439229,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.280757100532847,10.098675125607636,10.886603463474476,11.641166523920612,12.360011060593596,13.041738895372708,13.685792192759772,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_63,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1557900535214106,0.7733496010154717,1.8246078068752896,3.126377464586964,4.252926290534603,4.958932756433765,5.320326751868352,5.487247321554842,5.549548390267811,2.6836181642681503,0.5980020467879618,0.0099581673655001,6.3293907486736645,3.5083411806657643,3.695878050073524,1.19188467116968,1.803031687992683,3.7575724979881016,0.1537563432270093,2.998073052953834,0.508500521644123,11.985257161938833,0.2838942456462334,0.4146315609577373,-0.1500711452422806,-0.9553694951316628,0.4005025615867437,-11.900497608290072,24.0,53.3693,2.0,2.0,0.8900000000000001,46.0,-5.0,-11.00276,-1.0,-13.0,-0.8999999999999999,-45.0,RSM0927,6.990236982028516,7.767583963037022,8.541158353269124,9.303723271732158,10.04968125222384,10.774611567831686,11.475051438253086,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_64,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1017819874930266,0.7252303636219367,2.232840413752076,4.3373924751306605,6.16148644182352,7.290083222882794,7.863276034889726,8.127037217408157,8.22532815300721,3.615973340214597,0.5222857986688525,0.0036835063534633,13.513716479379353,6.213686557246708,8.177423043969023,1.7943383072547627,0.9288771834756434,2.001110280092104,0.1441344596341977,2.081952860549225,0.1430982348325405,7.527075110062171,-0.5124674128663338,-1.1706434540774269,-0.1441344596341977,-1.6655430899399155,0.0422041130886022,-7.527075110062171,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,7.429775627008239,8.277147010413168,9.105275129226206,9.9104066093277,10.689230950291142,11.438853047072302,12.156909228369267,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_65,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2167646104695224,0.8974722775167324,2.156618227814049,3.914413951896883,5.469390137138154,6.431430250255505,6.91820902065264,7.141657928504715,7.224830599460889,3.3049635724059176,0.7058418317709911,0.0233205132786441,11.24607452326487,5.337336222624538,6.7229610798847,1.6828506565504688,1.9323280785617905,4.217742412736431,0.353055653443444,4.756773306109341,0.1979066447535392,16.72275346167783,-1.598228455872649,-3.551430830226343,-0.353055653443444,-4.4226736834202,-0.0492323126568712,-16.72275346167783,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.432336831094752,10.211267726290362,10.96669196523881,11.694963991108493,12.392934949365744,13.058291053517692,13.689617297949829,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_66,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2136236789748395,0.8850457659539828,2.1259335019776584,4.047743728868521,5.926411997301376,7.14681898885534,7.777033174752892,8.068764339797083,8.177717282385034,3.353285400082467,0.6972561407227305,0.0227778044277889,12.739051276368736,5.681373870697272,7.6223747415208605,1.6355523854223344,2.1112951875045853,4.612878496275918,0.390119338392595,5.232249894645344,0.2080525989534246,18.358862705374825,-1.7898981964213647,-3.971900407109098,-0.390119338392595,-4.910852903562124,-0.0650309379213915,-18.358862705374825,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.376119217882753,10.183631413787968,10.961767602830042,11.708291736825812,12.420983620130702,13.098177442853856,13.73894298194324,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_67,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025754820940661,0.7344520471775565,2.178120279710249,3.974841747865137,5.422150672405972,6.290917958589413,6.727079852785035,6.9268708707771145,7.001190483690001,3.3794092594306804,0.5288688863048664,0.0037595124695736,10.897267328658842,5.2620943437580765,6.702628521621257,1.731940544651546,0.9025827334254208,1.9485322925430784,0.1440009487163947,2.0545903231565785,0.1316475375310722,7.3929326414549985,-0.5374267537385263,-1.22028346445452,-0.1440009487163947,-1.689434343469684,0.0308468734295959,-7.3929326414549985,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,7.8757710472856655,8.654271815294653,9.417338421743194,10.163344134484475,10.889797071730952,11.59386027055133,12.272812574884634,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_68,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1575581050422758,0.7805037916372759,1.847981811758092,3.230827279397769,4.4700577368608485,5.257196955532135,5.661900020128129,5.849108346350867,5.919019825092922,2.7529694224923715,0.6041050263221526,0.009882732833393,6.966843760572411,3.631411389850464,4.219064786211892,1.2216931833347515,1.7846350350113296,3.6776567921798873,0.1149066547415074,2.70388827294339,0.5787126129397152,11.221308269886798,0.6355684875962547,1.149076103132549,-0.1149066547415074,-0.2836847503358054,0.49827795462066,-11.221308269886798,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,6.608365302135513,7.41369689961139,8.208997105312541,8.989174882079615,9.750250932151546,10.488894147998794,11.202300061139692,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_69,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.2136113983482284,0.8850152036423412,2.125795052611837,4.04723421581201,5.925548161927509,7.145755776012255,7.775877081531122,8.067567531417506,8.176505632718985,3.352916188205258,0.6972279146509563,0.0227773019174034,12.73462567131639,5.67996486969936,7.619678661652556,1.6353697858481122,2.1110948245518064,4.612442160737727,0.3900837018000139,5.231764438951918,0.2080302560505274,18.35714815875931,-1.7897421934483329,-3.971552540896515,-0.3900837018000139,-4.910411807848444,-0.065028335209482,-18.35714815875931,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,9.370295789586608,10.178482855518949,10.957225998962516,11.7043003395562,12.41749028348297,13.095132364369285,13.736298431004755,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_70,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1025155662952875,0.7341868032793545,2.177533294457959,3.973790673418885,5.420539083908413,6.288893514499391,6.724830348385947,6.924514789048929,6.998794232769219,3.378537420748367,0.5286611109903009,0.0037559597501343,10.890462847092108,5.259254652178661,6.698371011974956,1.7309671131715585,0.9029829015059158,1.949652295973968,0.1443131942033974,2.0574884551330954,0.1312401520387622,7.401178391597528,-0.5401490405280588,-1.2260345853327788,-0.1443131942033974,-1.6946545941552382,0.0302209160963841,-7.401178391597528,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,7.876357861955084,8.65548655884069,9.419133242017226,10.165669781843985,10.892597987379007,11.597075206047409,12.276377410594542,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_71,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,6.0,12.0107,2.0,14.0,2.55,76.0,0.1574429298603215,0.7801779154978137,1.8473095693617585,3.229461044098598,4.467871573259124,5.254422505605761,5.658807901104734,5.8458663170909695,5.915721368283882,2.751873446850836,0.6038273405337254,0.0098703097400047,6.9599229870523445,3.628494375749901,4.214922450988356,1.2208022447566418,1.7834579470572556,3.675109099389953,0.1147125078091535,2.7011580095304835,0.578552834298316,11.21153989146935,0.6363328689657205,1.1508007145454695,-0.1147125078091535,-0.2813671935075074,0.4982540788319087,-11.21153989146935,2.0,3.9887,0.0,2.0,0.8900000000000001,0.0,-5.0,-11.00276,-1.0,-13.0,-0.3499999999999996,-45.0,RSM0927,6.607914939805449,7.413929862568211,8.209868681750415,8.990639435383109,9.752255913754956,10.491380008635458,11.205202813188809,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_72,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.063998836563152,0.3744138893345016,1.1863208739838211,2.609282473880333,4.074762951575187,5.0569815871865735,5.572495662784481,5.812937965198109,5.903021704451479,2.0842059517566844,0.2743734088537999,0.0039472275433686,7.196843367974022,2.065499583939831,4.573440230130229,0.2944292873319851,7.038728282594686,15.504721427022751,0.6736765640794464,4.799685061034259,0.9155335613311736,23.077858776309206,2.833390902835429,6.65396805697953,0.2237888164142004,-4.799685061034259,-0.9155335613311736,7.331787608025589,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,14.058077984874089,14.92881982669944,15.71430016578014,16.4228314855561,17.062299747656386,17.639965292576722,18.162395562139668,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_73,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686035347747339,0.3763813546915689,1.1949879507813057,2.607776304921628,4.038828517882313,4.993724902054755,5.494526900433779,5.728091980559402,5.815600670919233,2.0905801346099167,0.2774093321142649,0.0046796248120555,6.553068717092942,1.826690733395793,4.238049690538055,0.3502389125784977,6.652978375149917,14.578398351272211,0.7099617054487168,6.624133652851767,0.9158298834893832,24.19838976522177,0.734541863057934,2.003428097584448,-0.0383689565207303,-6.624133652851767,-0.9158298834893832,-1.993183403708882,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,14.34296529722703,15.164333011049916,15.90040508811108,16.56235811173504,17.159622077012582,17.700123907590502,18.19054050749024,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_74,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0769087684876342,0.3447726776691144,0.9551884392224868,2.0101331714638224,3.0796846617155587,3.788486932609536,4.158241287050197,4.330203530795448,4.3945519268589095,1.622858021162979,0.2659950342749639,0.0061190611772925,4.991426175306205,0.9697610963080264,3.407132519240081,0.0538916408585403,6.941854628062503,15.075531174293156,0.8393269677978809,10.045126788498989,1.0639692971234664,28.973609804279736,-2.268351169072836,-4.5855127694302045,-0.4144630169806385,-10.045126788498989,-1.0639692971234664,-14.909039662968448,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,16.10319618317515,16.710787784563223,17.254414241647606,17.744756757787467,18.19005940723104,18.59673229862672,18.96979976284474,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_75,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0587224008836299,0.3812297935635854,1.2495213986603415,2.5644167612806004,3.7746550512613504,4.547840563411137,4.946168452057351,5.1305825639909575,5.19947428884159,2.1025827850890053,0.2730629090466537,0.0032703166868074,5.719348263839165,1.7625210065144117,3.7164590569263343,0.3561764432272438,6.994258707566762,15.196502573303938,0.7931443465014651,9.095309449180194,1.094786471377175,28.23065772484829,-1.5018887858748595,-2.8684788389812548,-0.2938379899840195,-9.095309449180194,-1.094786471377175,-9.813724052143671,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,13.644570153931005,14.520183417496073,15.325342864790798,16.061706314091815,16.73266157013574,17.342576429819463,17.896260324650413,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_76,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0684702291998721,0.3853989468762678,1.230211536247123,2.577138851668267,3.843449110476565,4.656307588724963,5.075502459730161,5.269628722220692,5.342154460232812,2.098502749671914,0.2821445646226481,0.004626289477955,5.913164633492336,1.7359841419489332,3.9459897485562,0.4202452560152319,5.294078685362059,11.544912996817429,0.5353488390080414,5.283840427076743,0.8154573205523327,19.652053297431443,0.26160586450219,0.9252250251383256,-0.0302866072022005,-5.283840427076743,-0.8154573205523327,-0.1451873199270247,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,13.87282856800604,14.734772410310196,15.507481150876096,16.202294306192584,16.828944348280167,17.395710727130435,17.909623727042398,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_77,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0640526569327136,0.3744989620809359,1.1861071821525364,2.6086355109667854,4.073975220652528,5.056211152661509,5.571759918856226,5.812223461077423,5.902315923515115,2.0836783675702515,0.2744668275113723,0.0039541817119935,7.192937994025002,2.063932038514872,4.571408125297855,0.2942644308255386,7.034912789073538,15.496206271238426,0.6731798801385223,4.79578347103123,0.9152528709841844,23.06495537495221,2.8321756757094447,6.651191394400775,0.2238281621144761,-4.79578347103123,-0.9152528709841844,7.337645244110598,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,14.051528527635204,14.92324045615904,15.70943661130795,16.418508820557985,17.058396819980732,17.636397386916496,18.15910265268393,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_78,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0685940584421123,0.3763790938599873,1.195133368749834,2.6082192486424383,4.039581674058407,4.994685073637223,5.4955948434390365,5.729209922494886,5.816737297732611,2.0909125259965,0.2773981901224847,0.0046783613123849,6.554133209512999,1.8275814088186688,4.238259719648018,0.350450817233943,6.65329186154133,14.579168869349926,0.7098806507862135,6.621538362210181,0.9158388199591344,24.19636724583824,0.7371535222033075,2.009223281401912,-0.038021979536701,-6.621538362210181,-0.9158388199591344,-1.980224815463781,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,14.31813515243251,15.14281623686697,15.88166816275207,16.545960004617896,17.145198848193328,17.687375104648062,18.17921762669444,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_79,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0768728887884871,0.3447179969208591,0.9551725720972868,2.009810142333909,3.078801483973342,3.787191129126728,4.156727031054671,4.328587670423883,4.392898087301248,1.6226924597494805,0.2659368681601912,0.0061133714728476,4.989893614343725,0.9694691204821418,3.4060256849431303,0.053850019831465,6.93539078351334,15.060959178570403,0.838758741818832,10.044930566472871,1.0635099888042354,28.958464853274915,-2.2758811755718846,-4.602350990119778,-0.4151669592786997,-10.044930566472871,-1.0635099888042354,-14.9289346851387,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,16.07056448762307,16.683862969163123,17.231992205910718,17.7259301584574,18.174134961252246,18.583172990359948,18.95818432768896,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_80,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0587456385445227,0.3812315741753656,1.249502208052321,2.5645663867378548,3.77508733812177,4.548488918696289,4.946934899357392,5.131404889078456,5.200317661707986,2.1026522072705256,0.2730772569537852,0.0032734972426074,5.719983748951707,1.7623425784245983,3.716843147772523,0.3560092797644147,6.991926170061988,15.190918242956744,0.7928587852313831,9.096993134894996,1.0950715087414842,28.229002052693023,-1.5077101127445016,-2.881196450230751,-0.2942936891116116,-9.096993134894996,-1.0950715087414842,-9.82133454931179,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,13.560184762336071,14.443588782623412,15.255538980635729,15.997884389185474,16.674146055513326,17.288791124905124,17.84670714488881,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_81,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.068448948427875,0.385232247310724,1.229510509467101,2.5756204075604705,3.8411353100895855,4.65344202989418,5.07233830434604,5.26632306553031,5.338795421110097,2.097272233947235,0.2820348151111124,0.0046240179129809,5.907041346014439,1.73332317851273,3.942413965048128,0.4196077006511609,5.297291636583291,11.55202109092323,0.5356351236480775,5.285342294530139,0.8158501300346976,19.661762950950585,0.263571145018532,0.9297398487661792,-0.0301021435024572,-5.285342294530139,-0.8158501300346976,-0.1390413993181354,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,13.876422888122724,14.7383892471404,15.511064575428287,16.205812762308792,16.83237988412813,17.399052919441615,17.912866402983717,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_82,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0640147343328687,0.374399496534769,1.186087375981805,2.608886039954774,4.0744958973424215,5.056902766100691,5.572538405644288,5.813041857029109,5.903149176189178,2.0838279122230765,0.2743768105980096,0.0039496831136406,7.194588583588349,2.064344714246551,4.572406068746812,0.2942711486976694,7.036671532870373,15.500104142306729,0.6733893016874783,4.797495262119708,0.915427555931982,23.07101363642461,2.832645823218499,6.652296431969734,0.2238213670478736,-4.797495262119708,-0.915427555931982,7.336135924038439,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,14.013095029879796,14.888909542854307,15.6786252286111,16.390738532662677,17.033269480294624,17.613578394857335,18.13830875842002,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_83,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0685996419989834,0.3763992238022067,1.1951595571873272,2.6082242540191025,4.039547250224903,4.9946188920849135,5.495510859741048,5.729117420933875,5.81664157307484,2.090928054786306,0.2774149465279432,0.0046790087478075,6.554048297411601,1.82753456470141,4.23832570117609,0.35048744186057,6.653538185639391,14.579710993287112,0.70993998984805,6.622361231452772,0.915849902523058,24.197760600537105,0.7367754146760445,2.0083853599736314,-0.038093298910283,-6.622361231452772,-0.915849902523058,-1.9834045060045515,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,14.283083434882114,15.112114002648788,15.854553012833025,16.52183875871359,17.123603041314748,17.667929761544404,18.16161895823364,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_84,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0768943714679868,0.3447589895630677,0.9552170307220194,2.009953289886725,3.079101155432828,3.787600764827479,4.157193617970056,4.329080480877038,4.393400658560633,1.622788545453114,0.2659759714989487,0.0061167529829313,4.9903252518162535,0.969587203420484,3.406281728758078,0.0538661399055421,6.937642020853351,15.065899156895522,0.8390371753722363,10.047798039151,1.0637883223717672,28.967162022715783,-2.2760472877377453,-4.602610753346049,-0.4152558359980904,-10.047798039151,-1.0637883223717672,-14.93309337524566,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,16.072406074274763,16.685367630710015,17.233210302259604,17.726907661572127,18.174911948670097,18.58378363409039,18.958657420838257,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_85,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0587311935172522,0.3811995866406621,1.2494383041966095,2.5644436547614067,3.7749059452131175,4.5482681689058255,4.94669334470123,5.131153583414108,5.200062694157875,2.102550802002736,0.2730486396118805,0.0032717865113738,5.719641452091225,1.7622014360665683,3.716582393177408,0.3559365230751532,6.993011502120725,15.19342138039812,0.7929910666935226,9.09713968536717,1.0950568246056505,28.231256954242035,-1.5062110487890654,-2.8778987228622444,-0.2941910254815536,-9.09713968536717,-1.0950568246056505,-9.820116271885627,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,13.564364324736005,14.44724036229005,15.258777418171858,16.000790141093532,16.676776901457504,17.291189791183577,17.848906202927783,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_86,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.06844024240263,0.3851949924470687,1.229391067489784,2.5754531965717105,3.840985340149994,4.653323165668049,5.072240092861098,5.266235337688546,5.338711749778784,2.097112119644517,0.2820082178734142,0.0046228572723966,5.906846891535746,1.733022251608214,3.942407182398381,0.4194897303140465,5.297710376303447,11.55291473232958,0.535698552852332,5.28633629544331,0.8159260178970619,19.663964375674443,0.2630646284573445,0.9286491858563606,-0.0301735524195328,-5.28633629544331,-0.8159260178970619,-0.1415593088408281,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,13.872833822109463,14.735109123371068,15.508067705495414,16.203072378041718,16.82987012930624,17.396749839610827,17.91074833154428,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_87,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0640390550752802,0.3745014661682224,1.1864324560160613,2.609425050783234,4.074949502883506,5.057202829583081,5.572736395029408,5.813188049497936,5.903275332754926,2.084335717651053,0.2744532194409746,0.003952397739267,7.197125000028458,2.065725045570621,4.57347577703404,0.2944474599734087,7.038509586632114,15.504234056925842,0.67364859418589,4.799463584631758,0.9155163075168125,23.07711626268046,2.833323626351677,6.653813541122675,0.2237907888126364,-4.799463584631758,-0.9155163075168125,7.332093074616586,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,14.04679643193364,14.919268319999697,15.706114236830668,16.415740779499668,17.056100185061325,17.63450022134743,18.157542852372803,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_88,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0686010831032793,0.376381392116595,1.194986262517009,2.607818220432175,4.03894044763819,4.993883778751521,5.494709243212752,5.728284921469158,5.815797522301296,2.090600607263343,0.2774087001034575,0.0046792157930754,6.553348536520271,1.826818152929955,4.238171427941699,0.3502587287954863,6.653361571108866,14.57925026984037,0.7100161096607919,6.624640014034126,0.9158593892343256,24.199810106853207,0.7345625204172326,2.003482657160249,-0.038386646794783,-6.624640014034126,-0.9158593892343256,-1.9942863690919184,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,14.333286005001868,15.156362695733684,15.893738451774228,16.556703936474854,17.15476751317256,17.695910699255904,18.186849027077955,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_89,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0768925709900889,0.3447409744217213,0.9551542136827488,2.010174567391791,3.07982897536022,3.78869332612206,4.158476374225654,4.330450991950835,4.394803854553345,1.6228648297452837,0.2659660719455101,0.0061164869641032,4.991786509529964,0.9698181472942676,3.4074004572367698,0.0538976546187477,6.943710579809353,15.07975598887406,0.8394567726936579,10.044174028089566,1.0640709175559222,28.976779381501807,-2.265228454402349,-4.578562605152561,-0.4141402158384758,-10.044174028089566,-1.0640709175559222,-14.899115217122876,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,16.110668925995437,16.717174175772566,17.259901265731525,17.74949628317929,18.194174899535493,18.600324399640204,18.97295080088139,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_90,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0587510641549809,0.3813018953356816,1.2496449973777313,2.5645987925444054,3.774880287233054,4.548088344886733,4.946426455512147,5.130845001649727,5.199738336309595,2.102745667466291,0.2731253659011572,0.0032736997735603,5.720095977152708,1.76283617498536,3.716886477684202,0.3562456847538262,6.994207045649384,15.196381723278186,0.7931528322109312,9.095588033431277,1.0947803661802855,28.230816105455744,-1.5021766493010165,-2.8691200782818105,-0.2938773416338068,-9.095588033431277,-1.0947803661802855,-9.815239979110087,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,13.651530931719668,14.52677911049684,15.331546927449969,16.067512689379814,16.738078250912473,17.34762014181557,17.900952653510416,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_91,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.0685033218213719,0.3854327185954718,1.2301323307314167,2.5769624202034067,3.8432352316515255,4.656081813350151,5.075272751022891,5.269397586403928,5.341922848690257,2.0983510608903484,0.2821885570554748,0.0046310113312085,5.91281584665719,1.7356412012953146,3.945919089673769,0.4201981301207635,5.294425475883042,11.545691212495598,0.5353923913770298,5.284123918296383,0.8154785168606603,19.65313334457532,0.2617918858383561,0.9256427444234768,-0.0302817221296299,-5.284123918296383,-0.8154785168606603,-0.1454606281577813,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,13.86794047319018,14.730382237621043,15.50352578458096,16.198719469928527,16.825703384900997,17.392763497856798,17.90693564964505,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_92,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2085991062502866,0.6003329257813765,1.39422817071331,2.7479843089268403,4.1640053396374,5.112827626460266,5.608789324841816,5.839480274236669,5.925798111645683,2.244826390714457,0.4903720826555983,0.0433820419097725,4.977101723698054,2.72861925828721,2.6930728238792336,0.6778571411419808,15.791759582436558,35.24074578810852,1.5377820356288063,6.753345300103183,1.4764078764597774,45.064791716957885,11.825578798857808,26.748378742407137,0.9728850899434086,-6.753345300103183,-1.4764078764597774,25.29339861796896,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,16.55076467666829,17.551096266530497,18.381177716864723,19.07407491736079,19.65623239445102,20.148619346121933,20.56783299168721,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"
RSM0927_93,RSM0927.cif,/home/kevin/Documents/tools-cp-porousmat/DFT_structures,8.0,15.9994,2.0,16.0,3.44,66.0,0.2085974654792365,0.6003252499866779,1.3942124514822982,2.7480295112358126,4.164167406526095,5.113071736017774,5.609074548182558,5.839783972706148,5.926108603124847,2.2448390541841574,0.4903659415680976,0.0433817307415734,4.977218143387636,2.728796621858057,2.6928374285647387,0.6778238699425766,15.79195437930778,35.241247289284345,1.5378104927878014,6.752941490685808,1.4763379209492862,45.06445340036488,11.826453284241422,26.750277323018267,0.972953840262126,-6.752941490685808,-1.4763379209492862,25.294470561966232,22.0,49.3806,2.0,0.0,0.0,56.0,-7.0,-14.99146,-1.0,-15.0,-1.79,-35.0,RSM0927,16.450884238421807,17.46230048648799,18.3020965988816,19.00344401498098,19.592932363279346,20.09168000587916,20.51642238537301,"[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].[Zn][OH]([Zn])[Zn]dia,pcu.cat0","linker [O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-], nodes [Zn][OH]([Zn])[Zn], topology dia,pcu"